 vasp.5.4.1 24Jun15 (build Nov 25 2015 22:48:06) complex                        
  
 executed on      IFC91_craympich date 2016.04.01  14:36:33
 running on  128 total cores
 distrk:  each k-point on   64 cores,    2 groups
 distr:  one band on NCORES_PER_BAND=   1 cores,   64 groups


--------------------------------------------------------------------------------------------------------


 INCAR:
 POTCAR:    PAW_PBE H_h 06Feb2004                 
 POTCAR:    PAW_PBE C_h 06Feb2004                 
 POTCAR:    PAW_PBE O_h 06Feb2004                 
 POTCAR:    PAW_PBE Mg_sv 12Apr2007               

 ----------------------------------------------------------------------------- 
|                                                                             |
|           W    W    AA    RRRRR   N    N  II  N    N   GGGG   !!!           |
|           W    W   A  A   R    R  NN   N  II  NN   N  G    G  !!!           |
|           W    W  A    A  R    R  N N  N  II  N N  N  G       !!!           |
|           W WW W  AAAAAA  RRRRR   N  N N  II  N  N N  G  GGG   !            |
|           WW  WW  A    A  R   R   N   NN  II  N   NN  G    G                |
|           W    W  A    A  R    R  N    N  II  N    N   GGGG   !!!           |
|                                                                             |
|      For optimal performance we recommend to set                            |
|        NCORE= 4 - approx SQRT( number of cores)                             |
|      NCORE specifies how many cores store one orbital (NPAR=cpu/NCORE).     |
|      This setting can  greatly improve the performance of VASP for DFT.     |
|      The default, NPAR=number of cores might be grossly inefficient         |
|      on modern multi-core architectures or massively parallel machines.     |
|      Do your own testing !!!!                                               |
|      Unfortunately you need to use the default for GW and RPA calculations. |
|      (for HF NCORE is supported but not extensively tested yet)             |
|                                                                             |
 ----------------------------------------------------------------------------- 


 ----------------------------------------------------------------------------- 
|                                                                             |
|           W    W    AA    RRRRR   N    N  II  N    N   GGGG   !!!           |
|           W    W   A  A   R    R  NN   N  II  NN   N  G    G  !!!           |
|           W    W  A    A  R    R  N N  N  II  N N  N  G       !!!           |
|           W WW W  AAAAAA  RRRRR   N  N N  II  N  N N  G  GGG   !            |
|           WW  WW  A    A  R   R   N   NN  II  N   NN  G    G                |
|           W    W  A    A  R    R  N    N  II  N    N   GGGG   !!!           |
|                                                                             |
|      You have enabled k-point parallelism (KPAR>1).                         |
|      This developmental code was originally  written by Paul Kent at ORNL,  |
|      and carefully double checked in Vienna.                                |
|      GW as well as linear response parallelism added by Martijn Marsman     |
|      and Georg Kresse.                                                      |
|      Carefully verify results versus KPAR=1.                                |
|      Report problems to Paul Kent and Vienna.                               |
|                                                                             |
 ----------------------------------------------------------------------------- 

 POTCAR:    PAW_PBE H_h 06Feb2004                 
   VRHFIN =H: ultrasoft test                                                    
   LEXCH  = PE                                                                  
   EATOM  =    12.4884 eV,     .9179 Ry                                         
                                                                                
   TITEL  = PAW_PBE H_h 06Feb2004                                               
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        0    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =     .000    partial core radius                                     
   POMASS =    1.000; ZVAL   =    1.000    mass and valenz                      
   RCORE  =     .800    outmost cutoff radius                                   
   RWIGS  =     .700; RWIGS  =     .370    wigner-seitz radius (au A)           
   ENMAX  =  700.000; ENMIN  =  500.000 eV                                      
   RCLOC  =     .701    cutoff for local pot                                    
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   = 1685.224                                                            
   RMAX   =    1.606    core radius for proj-oper                               
   RAUG   =    1.000    factor for augmentation sphere                          
   RDEP   =     .817    radius for radial grids                                 
   QCUT   =   -7.783; QGAM   =   15.567    optimization parameters              
                                                                                
   Description                                                                  
     l     E      TYP  RCUT    TYP  RCUT                                        
     0   .000     23   .800                                                     
     0   .500     23   .800                                                     
     1  -.500     23   .800                                                     
  local pseudopotential read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           3
   number of lm-projection operators is LMMAX =           5
 
 POTCAR:    PAW_PBE C_h 06Feb2004                 
   VRHFIN =C: s2p2                                                              
   LEXCH  = PE                                                                  
   EATOM  =   147.1560 eV,   10.8157 Ry                                         
                                                                                
   TITEL  = PAW_PBE C_h 06Feb2004                                               
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =     .800    partial core radius                                     
   POMASS =   12.011; ZVAL   =    4.000    mass and valenz                      
   RCORE  =    1.100    outmost cutoff radius                                   
   RWIGS  =    1.630; RWIGS  =     .863    wigner-seitz radius (au A)           
   ENMAX  =  700.000; ENMIN  =  500.000 eV                                      
   ICORE  =        2    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  946.768                                                            
   DEXC   =     .000                                                            
   RMAX   =    1.693    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.162    radius for radial grids                                 
   QCUT   =   -7.383; QGAM   =   14.767    optimization parameters              
                                                                                
   Description                                                                  
     l     E      TYP  RCUT    TYP  RCUT                                        
     0   .000     23  1.100                                                     
     0   .000     23  1.100                                                     
     1   .000     23  1.100                                                     
     1   .000     23  1.100                                                     
     2   .000      7  1.100                                                     
  local pseudopotential read in
  partial core-charges read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8
 
 POTCAR:    PAW_PBE O_h 06Feb2004                 
   VRHFIN =O: s2p4                                                              
   LEXCH  = PE                                                                  
   EATOM  =   432.3788 eV,   31.7789 Ry                                         
                                                                                
   TITEL  = PAW_PBE O_h 06Feb2004                                               
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =     .800    partial core radius                                     
   POMASS =   16.000; ZVAL   =    6.000    mass and valenz                      
   RCORE  =    1.100    outmost cutoff radius                                   
   RWIGS  =    1.400; RWIGS  =     .741    wigner-seitz radius (au A)           
   ENMAX  =  700.000; ENMIN  =  500.000 eV                                      
   ICORE  =        2    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  888.804                                                            
   DEXC   =     .000                                                            
   RMAX   =    1.666    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.125    radius for radial grids                                 
   QCUT   =   -7.501; QGAM   =   15.002    optimization parameters              
                                                                                
   Description                                                                  
     l     E      TYP  RCUT    TYP  RCUT                                        
     0   .000     23  1.100                                                     
     0   .000     23  1.100                                                     
     1   .000     23  1.100                                                     
     1   .000     23  1.100                                                     
     2   .000      7  1.100                                                     
  local pseudopotential read in
  partial core-charges read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8
 
 POTCAR:    PAW_PBE Mg_sv 12Apr2007               
   VRHFIN =Mg: p6s2                                                             
   LEXCH  = PE                                                                  
   EATOM  =  1728.4457 eV,  127.0372 Ry                                         
                                                                                
   TITEL  = PAW_PBE Mg_sv 12Apr2007                                             
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        0    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =     .000    partial core radius                                     
   POMASS =   24.305; ZVAL   =   10.000    mass and valenz                      
   RCORE  =    1.700    outmost cutoff radius                                   
   RWIGS  =    1.800; RWIGS  =     .953    wigner-seitz radius (au A)           
   ENMAX  =  495.223; ENMIN  =  371.417 eV                                      
   RCLOC  =    1.506    cutoff for local pot                                    
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  980.156                                                            
   RMAX   =    2.072    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.781    radius for radial grids                                 
   RDEPT  =    1.300    core radius for aug-charge                              
   QCUT   =   -6.033; QGAM   =   12.066    optimization parameters              
                                                                                
   Description                                                                  
     l     E      TYP  RCUT    TYP  RCUT                                        
     0   .000     23  1.200                                                     
     0   .000     23  1.700                                                     
     0   .000     23  1.200                                                     
     0   .000     23  1.700                                                     
     1   .000     23  1.500                                                     
     1   .500     23  1.500                                                     
     2   .000     23  1.700                                                     
  local pseudopotential read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           2  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           5
   number of lm-projection operators is LMMAX =          13
 
 Optimization of the real space projectors (new method)

 maximal supplied QI-value         = 47.24
 optimisation between [QCUT,QGAM] = [ 17.48, 35.43] = [ 85.56,351.56] Ry 
 Optimized for a Real-space Cutoff    0.71 Angstroem

   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 
   0      7    17.480     3.730    0.15E-04    0.20E-04    0.27E-07
   0      7    17.480    31.376    0.60E-04    0.33E-03    0.21E-06
   1      7    17.480     1.978    0.22E-03    0.46E-03    0.70E-07
 Optimization of the real space projectors (new method)

 maximal supplied QI-value         = 34.20
 optimisation between [QCUT,QGAM] = [ 17.44, 35.23] = [ 85.21,347.56] Ry 
 Optimized for a Real-space Cutoff    0.80 Angstroem

   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 
   0      8    17.444     5.574    0.21E-04    0.20E-04    0.13E-07
   0      8    17.444   107.025    0.57E-04    0.15E-03    0.60E-07
   1      8    17.444     2.524    0.16E-04    0.20E-04    0.66E-07
   1      8    17.444    65.672    0.20E-03    0.12E-03    0.20E-06
 Optimization of the real space projectors (new method)

 maximal supplied QI-value         = 34.20
 optimisation between [QCUT,QGAM] = [ 17.44, 35.23] = [ 85.21,347.56] Ry 
 Optimized for a Real-space Cutoff    0.73 Angstroem

   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 
   0      8    17.444     3.352    0.41E-04    0.26E-04    0.13E-07
   0      8    17.444   163.154    0.15E-03    0.21E-03    0.50E-07
   1      7    17.444     1.687    0.58E-04    0.51E-04    0.27E-07
   1      7    17.444    55.558    0.22E-03    0.69E-04    0.16E-06
 Optimization of the real space projectors (new method)

 maximal supplied QI-value         = 22.11
 optimisation between [QCUT,QGAM] = [ 17.69, 35.38] = [ 87.61,350.44] Ry 
 Optimized for a Real-space Cutoff    0.98 Angstroem

   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 
   0     10    17.688     2.630    0.70E-05    0.17E-06    0.12E-07
   0     10    17.688    10.799    0.30E-04    0.17E-04    0.21E-07
   1     10    17.688     2.712    0.17E-05    0.51E-05    0.21E-07
   1     10    17.688     3.468    0.71E-04    0.64E-04    0.15E-06
   2      9    17.688     3.683    0.11E-03    0.40E-04    0.26E-06
  PAW_PBE H_h 06Feb2004                 :
 energy of atom  1       EATOM=  -12.4884
 kinetic energy error for atom=    0.0002 (will be added to EATOM!!)
  PAW_PBE C_h 06Feb2004                 :
 energy of atom  2       EATOM= -147.1560
 kinetic energy error for atom=    0.0026 (will be added to EATOM!!)
  PAW_PBE O_h 06Feb2004                 :
 energy of atom  3       EATOM= -432.3788
 kinetic energy error for atom=    0.0134 (will be added to EATOM!!)
  PAW_PBE Mg_sv 12Apr2007               :
 energy of atom  4       EATOM=-1728.4457
 kinetic energy error for atom=    0.0038 (will be added to EATOM!!)
 
 
 POSCAR:                                         
  positions in direct lattice
  velocities in cartesian coordinates
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 


--------------------------------------------------------------------------------------------------------


 ion  position               nearest neighbor table
   1  0.237  0.880  0.122-  29 0.97
   2  0.146  0.628  0.301-  30 1.02
   3  0.302  0.690  0.352-  30 0.98
   4  0.138  0.900  0.365-  31 1.01
   5  0.234  0.919  0.571-  31 0.98
   6  0.763  0.380  0.378-  38 0.97
   7  0.854  0.128  0.199-  39 1.02
   8  0.698  0.190  0.148-  39 0.98
   9  0.862  0.400  0.135-  40 1.01
  10  0.766  0.419  0.929-  40 0.98
  11  0.763  0.120  0.878-  47 0.97
  12  0.854  0.372  0.699-  48 1.02
  13  0.698  0.310  0.648-  48 0.98
  14  0.862  0.100  0.635-  49 1.01
  15  0.765  0.081  0.429-  49 0.98
  16  0.237  0.620  0.622-  56 0.97
  17  0.146  0.872  0.801-  57 1.02
  18  0.302  0.810  0.852-  57 0.98
  19  0.138  0.600  0.865-  58 1.01
  20  0.234  0.581  0.071-  58 0.98
  21  0.078  0.259  0.280-  33 1.28  32 1.28  34 1.31
  22  0.472  0.333  0.237-  35 1.29  37 1.30  36 1.30
  23  0.922  0.759  0.220-  42 1.28  41 1.28  43 1.31
  24  0.528  0.833  0.263-  44 1.29  46 1.30  45 1.30
  25  0.922  0.741  0.720-  51 1.28  50 1.28  52 1.31
  26  0.528  0.667  0.763-  53 1.29  55 1.30  54 1.30
  27  0.078  0.241  0.780-  60 1.28  59 1.28  61 1.31
  28  0.472  0.167  0.737-  62 1.29  64 1.30  63 1.30
  29  0.226  0.984  0.117-   1 0.97
  30  0.242  0.605  0.297-   3 0.98   2 1.02
  31  0.237  0.923  0.456-   5 0.98   4 1.01
  32  0.005  0.159  0.175-  21 1.28
  33  0.011  0.365  0.311-  21 1.28
  34  0.219  0.254  0.354-  21 1.31
  35  0.429  0.200  0.216-  22 1.29
  36  0.493  0.401  0.380-  22 1.30
  37  0.497  0.398  0.116-  22 1.30
  38  0.774  0.484  0.383-   6 0.97
  39  0.758  0.105  0.203-   8 0.98   7 1.02
  40  0.763  0.423  0.044-  10 0.98   9 1.01
  41  0.995  0.659  0.325-  23 1.28
  42  0.989  0.865  0.189-  23 1.28
  43  0.781  0.754  0.146-  23 1.31
  44  0.571  0.700  0.284-  24 1.29
  45  0.507  0.901  0.120-  24 1.30
  46  0.503  0.898  0.384-  24 1.30
  47  0.774  0.016  0.883-  11 0.97
  48  0.758  0.395  0.703-  13 0.98  12 1.02
  49  0.763  0.077  0.544-  15 0.98  14 1.01
  50  0.995  0.841  0.825-  25 1.28
  51  0.989  0.635  0.689-  25 1.28
  52  0.781  0.746  0.646-  25 1.31
  53  0.571  0.800  0.784-  26 1.29
  54  0.507  0.599  0.620-  26 1.30
  55  0.503  0.602  0.884-  26 1.30
  56  0.226  0.516  0.617-  16 0.97
  57  0.242  0.895  0.797-  18 0.98  17 1.02
  58  0.237  0.577  0.956-  20 0.98  19 1.01
  59  0.005  0.341  0.675-  27 1.28
  60  0.011  0.135  0.811-  27 1.28
  61  0.219  0.246  0.854-  27 1.31
  62  0.429  0.300  0.716-  28 1.29
  63  0.493  0.099  0.880-  28 1.30
  64  0.497  0.102  0.616-  28 1.30
  65  0.345  0.069  0.360-
  66  0.344  0.431  0.491-
  67  0.655  0.569  0.140-
  68  0.656  0.931  0.009-
  69  0.655  0.931  0.640-
  70  0.656  0.569  0.509-
  71  0.345  0.431  0.860-
  72  0.344  0.069  0.991-
  73  0.000  1.000  1.000-
  74  1.000  0.500  0.500-
 
  LATTYP: Found a triclinic cell.
 ALAT       =    12.4847760486
 B/A-ratio  =     0.7369331273
 C/A-ratio  =     0.8151934602
 COS(alpha) =     0.0000351358
 COS(beta)  =     0.2809066133
 COS(gamma) =     0.7369960234
  
  Lattice vectors:
  
 A1 = (   3.4906951976,  -9.2008374627,  -7.6830508268)
 A2 = (   0.0001941541,  -9.2004450467,  -0.0003822232)
 A3 = (  -6.6785229145,  -0.0001794806,  -7.6797784087)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 triclinic supercell.


 Subroutine GETGRP returns: Found  1 space group operations
 (whereof  1 operations were pure point group operations)
 out of a pool of  2 trial point group operations.


The static configuration has the point symmetry C_1 .


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 triclinic supercell.


 Subroutine GETGRP returns: Found  1 space group operations
 (whereof  1 operations were pure point group operations)
 out of a pool of  2 trial point group operations.


The dynamic configuration has the point symmetry C_1 .


 Subroutine INISYM returns: Found  1 space group operations
 (whereof  1 operations are pure point group operations),
 and found     1 'primitive' translations

 
 
 KPOINTS: CaAl4Si2O12H2                           

Automatic generation of k-mesh.
 generate k-points for:    6    7    8
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    170 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.166667  0.000000 -0.000000      2.000000
  0.333333  0.000000 -0.000000      2.000000
  0.500000  0.000000 -0.000000      1.000000
  0.000000  0.142857 -0.000000      2.000000
  0.166667  0.142857 -0.000000      2.000000
  0.333333  0.142857 -0.000000      2.000000
  0.500000  0.142857 -0.000000      2.000000
 -0.333333  0.142857  0.000000      2.000000
 -0.166667  0.142857  0.000000      2.000000
  0.000000  0.285714 -0.000000      2.000000
  0.166667  0.285714 -0.000000      2.000000
  0.333333  0.285714 -0.000000      2.000000
  0.500000  0.285714 -0.000000      2.000000
 -0.333333  0.285714  0.000000      2.000000
 -0.166667  0.285714  0.000000      2.000000
  0.000000  0.428571 -0.000000      2.000000
  0.166667  0.428571 -0.000000      2.000000
  0.333333  0.428571 -0.000000      2.000000
  0.500000  0.428571 -0.000000      2.000000
 -0.333333  0.428571  0.000000      2.000000
 -0.166667  0.428571  0.000000      2.000000
 -0.000000  0.000000  0.125000      2.000000
  0.166667  0.000000  0.125000      2.000000
  0.333333  0.000000  0.125000      2.000000
  0.500000  0.000000  0.125000      2.000000
 -0.333333  0.000000  0.125000      2.000000
 -0.166667  0.000000  0.125000      2.000000
 -0.000000  0.142857  0.125000      2.000000
  0.166667  0.142857  0.125000      2.000000
  0.333333  0.142857  0.125000      2.000000
  0.500000  0.142857  0.125000      2.000000
 -0.333333  0.142857  0.125000      2.000000
 -0.166667  0.142857  0.125000      2.000000
 -0.000000  0.285714  0.125000      2.000000
  0.166667  0.285714  0.125000      2.000000
  0.333333  0.285714  0.125000      2.000000
  0.500000  0.285714  0.125000      2.000000
 -0.333333  0.285714  0.125000      2.000000
 -0.166667  0.285714  0.125000      2.000000
  0.000000  0.428571  0.125000      2.000000
  0.166667  0.428571  0.125000      2.000000
  0.333333  0.428571  0.125000      2.000000
  0.500000  0.428571  0.125000      2.000000
 -0.333333  0.428571  0.125000      2.000000
 -0.166667  0.428571  0.125000      2.000000
 -0.000000 -0.428571  0.125000      2.000000
  0.166667 -0.428571  0.125000      2.000000
  0.333333 -0.428571  0.125000      2.000000
  0.500000 -0.428571  0.125000      2.000000
 -0.333333 -0.428571  0.125000      2.000000
 -0.166667 -0.428571  0.125000      2.000000
 -0.000000 -0.285714  0.125000      2.000000
  0.166667 -0.285714  0.125000      2.000000
  0.333333 -0.285714  0.125000      2.000000
  0.500000 -0.285714  0.125000      2.000000
 -0.333333 -0.285714  0.125000      2.000000
 -0.166667 -0.285714  0.125000      2.000000
  0.000000 -0.142857  0.125000      2.000000
  0.166667 -0.142857  0.125000      2.000000
  0.333333 -0.142857  0.125000      2.000000
  0.500000 -0.142857  0.125000      2.000000
 -0.333333 -0.142857  0.125000      2.000000
 -0.166667 -0.142857  0.125000      2.000000
 -0.000000  0.000000  0.250000      2.000000
  0.166667  0.000000  0.250000      2.000000
  0.333333  0.000000  0.250000      2.000000
  0.500000  0.000000  0.250000      2.000000
 -0.333333  0.000000  0.250000      2.000000
 -0.166667  0.000000  0.250000      2.000000
 -0.000000  0.142857  0.250000      2.000000
  0.166667  0.142857  0.250000      2.000000
  0.333333  0.142857  0.250000      2.000000
  0.500000  0.142857  0.250000      2.000000
 -0.333333  0.142857  0.250000      2.000000
 -0.166667  0.142857  0.250000      2.000000
  0.000000  0.285714  0.250000      2.000000
  0.166667  0.285714  0.250000      2.000000
  0.333333  0.285714  0.250000      2.000000
  0.500000  0.285714  0.250000      2.000000
 -0.333333  0.285714  0.250000      2.000000
 -0.166667  0.285714  0.250000      2.000000
  0.000000  0.428571  0.250000      2.000000
  0.166667  0.428571  0.250000      2.000000
  0.333333  0.428571  0.250000      2.000000
  0.500000  0.428571  0.250000      2.000000
 -0.333333  0.428571  0.250000      2.000000
 -0.166667  0.428571  0.250000      2.000000
 -0.000000 -0.428571  0.250000      2.000000
  0.166667 -0.428571  0.250000      2.000000
  0.333333 -0.428571  0.250000      2.000000
  0.500000 -0.428571  0.250000      2.000000
 -0.333333 -0.428571  0.250000      2.000000
 -0.166667 -0.428571  0.250000      2.000000
 -0.000000 -0.285714  0.250000      2.000000
  0.166667 -0.285714  0.250000      2.000000
  0.333333 -0.285714  0.250000      2.000000
  0.500000 -0.285714  0.250000      2.000000
 -0.333333 -0.285714  0.250000      2.000000
 -0.166667 -0.285714  0.250000      2.000000
 -0.000000 -0.142857  0.250000      2.000000
  0.166667 -0.142857  0.250000      2.000000
  0.333333 -0.142857  0.250000      2.000000
  0.500000 -0.142857  0.250000      2.000000
 -0.333333 -0.142857  0.250000      2.000000
 -0.166667 -0.142857  0.250000      2.000000
 -0.000000 -0.000000  0.375000      2.000000
  0.166667  0.000000  0.375000      2.000000
  0.333333  0.000000  0.375000      2.000000
  0.500000  0.000000  0.375000      2.000000
 -0.333333  0.000000  0.375000      2.000000
 -0.166667  0.000000  0.375000      2.000000
 -0.000000  0.142857  0.375000      2.000000
  0.166667  0.142857  0.375000      2.000000
  0.333333  0.142857  0.375000      2.000000
  0.500000  0.142857  0.375000      2.000000
 -0.333333  0.142857  0.375000      2.000000
 -0.166667  0.142857  0.375000      2.000000
 -0.000000  0.285714  0.375000      2.000000
  0.166667  0.285714  0.375000      2.000000
  0.333333  0.285714  0.375000      2.000000
  0.500000  0.285714  0.375000      2.000000
 -0.333333  0.285714  0.375000      2.000000
 -0.166667  0.285714  0.375000      2.000000
  0.000000  0.428571  0.375000      2.000000
  0.166667  0.428571  0.375000      2.000000
  0.333333  0.428571  0.375000      2.000000
  0.500000  0.428571  0.375000      2.000000
 -0.333333  0.428571  0.375000      2.000000
 -0.166667  0.428571  0.375000      2.000000
 -0.000000 -0.428571  0.375000      2.000000
  0.166667 -0.428571  0.375000      2.000000
  0.333333 -0.428571  0.375000      2.000000
  0.500000 -0.428571  0.375000      2.000000
 -0.333333 -0.428571  0.375000      2.000000
 -0.166667 -0.428571  0.375000      2.000000
 -0.000000 -0.285714  0.375000      2.000000
  0.166667 -0.285714  0.375000      2.000000
  0.333333 -0.285714  0.375000      2.000000
  0.500000 -0.285714  0.375000      2.000000
 -0.333333 -0.285714  0.375000      2.000000
 -0.166667 -0.285714  0.375000      2.000000
 -0.000000 -0.142857  0.375000      2.000000
  0.166667 -0.142857  0.375000      2.000000
  0.333333 -0.142857  0.375000      2.000000
  0.500000 -0.142857  0.375000      2.000000
 -0.333333 -0.142857  0.375000      2.000000
 -0.166667 -0.142857  0.375000      2.000000
 -0.000000  0.000000  0.500000      1.000000
  0.166667  0.000000  0.500000      2.000000
  0.333333  0.000000  0.500000      2.000000
  0.500000  0.000000  0.500000      1.000000
 -0.000000  0.142857  0.500000      2.000000
  0.166667  0.142857  0.500000      2.000000
  0.333333  0.142857  0.500000      2.000000
  0.500000  0.142857  0.500000      2.000000
 -0.333333  0.142857  0.500000      2.000000
 -0.166667  0.142857  0.500000      2.000000
 -0.000000  0.285714  0.500000      2.000000
  0.166667  0.285714  0.500000      2.000000
  0.333333  0.285714  0.500000      2.000000
  0.500000  0.285714  0.500000      2.000000
 -0.333333  0.285714  0.500000      2.000000
 -0.166667  0.285714  0.500000      2.000000
 -0.000000  0.428571  0.500000      2.000000
  0.166667  0.428571  0.500000      2.000000
  0.333333  0.428571  0.500000      2.000000
  0.500000  0.428571  0.500000      2.000000
 -0.333333  0.428571  0.500000      2.000000
 -0.166667  0.428571  0.500000      2.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.016392  0.000000  0.007447      2.000000
  0.032784  0.000000  0.014895      2.000000
  0.049175  0.000000  0.022342      1.000000
  0.000000  0.015527 -0.000001      2.000000
  0.016392  0.015527  0.007447      2.000000
  0.032784  0.015527  0.014894      2.000000
  0.049176  0.015527  0.022341      2.000000
 -0.032783  0.015527 -0.014895      2.000000
 -0.016391  0.015527 -0.007448      2.000000
  0.000001  0.031054 -0.000001      2.000000
  0.016392  0.031054  0.007446      2.000000
  0.032784  0.031054  0.014893      2.000000
  0.049176  0.031055  0.022341      2.000000
 -0.032783  0.031054 -0.014896      2.000000
 -0.016391  0.031054 -0.007449      2.000000
  0.000001  0.046582 -0.000002      2.000000
  0.016393  0.046582  0.007445      2.000000
  0.032784  0.046582  0.014893      2.000000
  0.049176  0.046582  0.022340      2.000000
 -0.032783  0.046582 -0.014897      2.000000
 -0.016391  0.046582 -0.007449      2.000000
  0.000005 -0.000001  0.016272      2.000000
  0.016396 -0.000001  0.023720      2.000000
  0.032788 -0.000001  0.031167      2.000000
  0.049180 -0.000001  0.038615      2.000000
 -0.032779 -0.000001  0.001378      2.000000
 -0.016387 -0.000001  0.008825      2.000000
  0.000005  0.015527  0.016272      2.000000
  0.016397  0.015527  0.023719      2.000000
  0.032788  0.015527  0.031167      2.000000
  0.049180  0.015527  0.038614      2.000000
 -0.032779  0.015526  0.001377      2.000000
 -0.016387  0.015526  0.008825      2.000000
  0.000005  0.031054  0.016271      2.000000
  0.016397  0.031054  0.023719      2.000000
  0.032789  0.031054  0.031166      2.000000
  0.049181  0.031054  0.038613      2.000000
 -0.032778  0.031054  0.001377      2.000000
 -0.016386  0.031054  0.008824      2.000000
  0.000006  0.046581  0.016271      2.000000
  0.016397  0.046581  0.023718      2.000000
  0.032789  0.046581  0.031165      2.000000
  0.049181  0.046581  0.038613      2.000000
 -0.032778  0.046581  0.001376      2.000000
 -0.016386  0.046581  0.008823      2.000000
  0.000004 -0.046582  0.016274      2.000000
  0.016395 -0.046582  0.023722      2.000000
  0.032787 -0.046582  0.031169      2.000000
  0.049179 -0.046582  0.038616      2.000000
 -0.032780 -0.046582  0.001380      2.000000
 -0.016388 -0.046582  0.008827      2.000000
  0.000004 -0.031055  0.016274      2.000000
  0.016396 -0.031055  0.023721      2.000000
  0.032787 -0.031055  0.031168      2.000000
  0.049179 -0.031055  0.038616      2.000000
 -0.032780 -0.031055  0.001379      2.000000
 -0.016388 -0.031055  0.008826      2.000000
  0.000004 -0.015528  0.016273      2.000000
  0.016396 -0.015528  0.023720      2.000000
  0.032788 -0.015528  0.031168      2.000000
  0.049180 -0.015528  0.038615      2.000000
 -0.032779 -0.015528  0.001378      2.000000
 -0.016387 -0.015528  0.008826      2.000000
  0.000009 -0.000001  0.032545      2.000000
  0.016401 -0.000001  0.039992      2.000000
  0.032793 -0.000001  0.047440      2.000000
  0.049185 -0.000001  0.054887      2.000000
 -0.032774 -0.000001  0.017650      2.000000
 -0.016383 -0.000001  0.025098      2.000000
  0.000010  0.015526  0.032544      2.000000
  0.016401  0.015526  0.039992      2.000000
  0.032793  0.015526  0.047439      2.000000
  0.049185  0.015526  0.054886      2.000000
 -0.032774  0.015526  0.017650      2.000000
 -0.016382  0.015526  0.025097      2.000000
  0.000010  0.031053  0.032544      2.000000
  0.016402  0.031053  0.039991      2.000000
  0.032793  0.031053  0.047438      2.000000
  0.049185  0.031053  0.054886      2.000000
 -0.032774  0.031053  0.017649      2.000000
 -0.016382  0.031053  0.025096      2.000000
  0.000010  0.046580  0.032543      2.000000
  0.016402  0.046580  0.039990      2.000000
  0.032794  0.046580  0.047438      2.000000
  0.049186  0.046580  0.054885      2.000000
 -0.032773  0.046580  0.017648      2.000000
 -0.016382  0.046580  0.025096      2.000000
  0.000008 -0.046583  0.032547      2.000000
  0.016400 -0.046583  0.039994      2.000000
  0.032792 -0.046583  0.047442      2.000000
  0.049184 -0.046583  0.054889      2.000000
 -0.032775 -0.046583  0.017652      2.000000
 -0.016383 -0.046583  0.025100      2.000000
  0.000009 -0.031056  0.032546      2.000000
  0.016400 -0.031056  0.039994      2.000000
  0.032792 -0.031056  0.047441      2.000000
  0.049184 -0.031056  0.054888      2.000000
 -0.032775 -0.031056  0.017652      2.000000
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  0.000009 -0.015529  0.032546      2.000000
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  0.049184 -0.015528  0.054888      2.000000
 -0.032775 -0.015529  0.017651      2.000000
 -0.016383 -0.015529  0.025098      2.000000
  0.000014 -0.000002  0.048817      2.000000
  0.016406 -0.000002  0.056265      2.000000
  0.032797 -0.000002  0.063712      2.000000
  0.049189 -0.000002  0.071159      2.000000
 -0.032770 -0.000002  0.033923      2.000000
 -0.016378 -0.000002  0.041370      2.000000
  0.000014  0.015525  0.048817      2.000000
  0.016406  0.015525  0.056264      2.000000
  0.032798  0.015525  0.063712      2.000000
  0.049189  0.015525  0.071159      2.000000
 -0.032769  0.015525  0.033922      2.000000
 -0.016378  0.015525  0.041369      2.000000
  0.000015  0.031052  0.048816      2.000000
  0.016406  0.031052  0.056264      2.000000
  0.032798  0.031052  0.063711      2.000000
  0.049190  0.031052  0.071158      2.000000
 -0.032769  0.031052  0.033921      2.000000
 -0.016377  0.031052  0.041369      2.000000
  0.000015  0.046580  0.048816      2.000000
  0.016407  0.046580  0.056263      2.000000
  0.032798  0.046580  0.063710      2.000000
  0.049190  0.046580  0.071158      2.000000
 -0.032769  0.046579  0.033921      2.000000
 -0.016377  0.046580  0.041368      2.000000
  0.000013 -0.046584  0.048819      2.000000
  0.016405 -0.046584  0.056267      2.000000
  0.032796 -0.046584  0.063714      2.000000
  0.049188 -0.046584  0.071161      2.000000
 -0.032771 -0.046584  0.033925      2.000000
 -0.016379 -0.046584  0.041372      2.000000
  0.000013 -0.031056  0.048819      2.000000
  0.016405 -0.031056  0.056266      2.000000
  0.032797 -0.031056  0.063713      2.000000
  0.049189 -0.031056  0.071161      2.000000
 -0.032770 -0.031056  0.033924      2.000000
 -0.016379 -0.031056  0.041371      2.000000
  0.000014 -0.015529  0.048818      2.000000
  0.016405 -0.015529  0.056265      2.000000
  0.032797 -0.015529  0.063713      2.000000
  0.049189 -0.015529  0.071160      2.000000
 -0.032770 -0.015529  0.033923      2.000000
 -0.016378 -0.015529  0.041371      2.000000
  0.000018 -0.000003  0.065090      1.000000
  0.016410 -0.000003  0.072537      2.000000
  0.032802 -0.000003  0.079985      2.000000
  0.049194 -0.000003  0.087432      1.000000
  0.000019  0.015524  0.065089      2.000000
  0.016411  0.015525  0.072537      2.000000
  0.032802  0.015525  0.079984      2.000000
  0.049194  0.015525  0.087431      2.000000
 -0.032765  0.015524  0.050195      2.000000
 -0.016373  0.015524  0.057642      2.000000
  0.000019  0.031052  0.065089      2.000000
  0.016411  0.031052  0.072536      2.000000
  0.032803  0.031052  0.079983      2.000000
  0.049194  0.031052  0.087431      2.000000
 -0.032764  0.031052  0.050194      2.000000
 -0.016373  0.031052  0.057641      2.000000
  0.000019  0.046579  0.065088      2.000000
  0.016411  0.046579  0.072535      2.000000
  0.032803  0.046579  0.079983      2.000000
  0.049195  0.046579  0.087430      2.000000
 -0.032764  0.046579  0.050193      2.000000
 -0.016372  0.046579  0.057641      2.000000
 
 TETIRR: Found   1008 inequivalent tetrahedra from     2016
 
 Subroutine IBZKPT_HF returns following result:
 ==============================================
 
 Found    336 k-points in 1st BZ
 the following    336 k-points will be used (e.g. in the exchange kernel)
 Following reciprocal coordinates:   # in IRBZ
  0.000000  0.000000  0.000000    0.00297619   1 t-inv F
  0.166667  0.000000 -0.000000    0.00297619   2 t-inv F
  0.333333  0.000000 -0.000000    0.00297619   3 t-inv F
  0.500000  0.000000 -0.000000    0.00297619   4 t-inv F
  0.000000  0.142857 -0.000000    0.00297619   5 t-inv F
  0.166667  0.142857 -0.000000    0.00297619   6 t-inv F
  0.333333  0.142857 -0.000000    0.00297619   7 t-inv F
  0.500000  0.142857 -0.000000    0.00297619   8 t-inv F
 -0.333333  0.142857  0.000000    0.00297619   9 t-inv F
 -0.166667  0.142857  0.000000    0.00297619  10 t-inv F
  0.000000  0.285714 -0.000000    0.00297619  11 t-inv F
  0.166667  0.285714 -0.000000    0.00297619  12 t-inv F
  0.333333  0.285714 -0.000000    0.00297619  13 t-inv F
  0.500000  0.285714 -0.000000    0.00297619  14 t-inv F
 -0.333333  0.285714  0.000000    0.00297619  15 t-inv F
 -0.166667  0.285714  0.000000    0.00297619  16 t-inv F
  0.000000  0.428571 -0.000000    0.00297619  17 t-inv F
  0.166667  0.428571 -0.000000    0.00297619  18 t-inv F
  0.333333  0.428571 -0.000000    0.00297619  19 t-inv F
  0.500000  0.428571 -0.000000    0.00297619  20 t-inv F
 -0.333333  0.428571  0.000000    0.00297619  21 t-inv F
 -0.166667  0.428571  0.000000    0.00297619  22 t-inv F
 -0.000000  0.000000  0.125000    0.00297619  23 t-inv F
  0.166667  0.000000  0.125000    0.00297619  24 t-inv F
  0.333333  0.000000  0.125000    0.00297619  25 t-inv F
  0.500000  0.000000  0.125000    0.00297619  26 t-inv F
 -0.333333  0.000000  0.125000    0.00297619  27 t-inv F
 -0.166667  0.000000  0.125000    0.00297619  28 t-inv F
 -0.000000  0.142857  0.125000    0.00297619  29 t-inv F
  0.166667  0.142857  0.125000    0.00297619  30 t-inv F
  0.333333  0.142857  0.125000    0.00297619  31 t-inv F
  0.500000  0.142857  0.125000    0.00297619  32 t-inv F
 -0.333333  0.142857  0.125000    0.00297619  33 t-inv F
 -0.166667  0.142857  0.125000    0.00297619  34 t-inv F
 -0.000000  0.285714  0.125000    0.00297619  35 t-inv F
  0.166667  0.285714  0.125000    0.00297619  36 t-inv F
  0.333333  0.285714  0.125000    0.00297619  37 t-inv F
  0.500000  0.285714  0.125000    0.00297619  38 t-inv F
 -0.333333  0.285714  0.125000    0.00297619  39 t-inv F
 -0.166667  0.285714  0.125000    0.00297619  40 t-inv F
  0.000000  0.428571  0.125000    0.00297619  41 t-inv F
  0.166667  0.428571  0.125000    0.00297619  42 t-inv F
  0.333333  0.428571  0.125000    0.00297619  43 t-inv F
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  0.000000 -0.285714 -0.500000    0.00297619 159 t-inv T
 -0.166667 -0.285714 -0.500000    0.00297619 160 t-inv T
 -0.333333 -0.285714 -0.500000    0.00297619 161 t-inv T
 -0.500000 -0.285714 -0.500000    0.00297619 162 t-inv T
  0.333333 -0.285714 -0.500000    0.00297619 163 t-inv T
  0.166667 -0.285714 -0.500000    0.00297619 164 t-inv T
  0.000000 -0.428571 -0.500000    0.00297619 165 t-inv T
 -0.166667 -0.428571 -0.500000    0.00297619 166 t-inv T
 -0.333333 -0.428571 -0.500000    0.00297619 167 t-inv T
 -0.500000 -0.428571 -0.500000    0.00297619 168 t-inv T
  0.333333 -0.428571 -0.500000    0.00297619 169 t-inv T
  0.166667 -0.428571 -0.500000    0.00297619 170 t-inv T


--------------------------------------------------------------------------------------------------------




 Dimension of arrays:
   k-points           NKPTS =    170   k-points in BZ     NKDIM =    170   number of bands    NBANDS=    256
   number of dos      NEDOS =    301   number of ions     NIONS =     74
   non local maximal  LDIM  =      5   non local SUM 2l+1 LMDIM =     13
   total plane-waves  NPLWV = ******
   max r-space proj   IRMAX =   6880   max aug-charges    IRDMAX=  23435
   dimension x,y,z NGX =   120 NGY =  108 NGZ =   96
   dimension x,y,z NGXF=   240 NGYF=  216 NGZF=  192
   support grid    NGXF=   240 NGYF=  216 NGZF=  192
   ions per type =              20   8  36  10
 NGX,Y,Z   is equivalent  to a cutoff of  19.62, 19.51, 18.91 a.u.
 NGXF,Y,Z  is equivalent  to a cutoff of  39.24, 39.03, 37.83 a.u.


 I would recommend the setting:
   dimension x,y,z NGX =   115 NGY =  104 NGZ =   95
 SYSTEM =  unknown system                          
 POSCAR =                                          

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = accura    normal or accurate (medium, high low for compatibility)
   ISTART =      0    job   : 0-new  1-cont  2-samecut
   ICHARG =      2    charge: 1-file 2-atom 10-const
   ISPIN  =      1    spin polarized calculation?
   LNONCOLLINEAR =      F non collinear calculations
   LSORBIT =      F    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      F    aspherical Exc in radial PAW
   METAGGA=      F    non-selfconsistent MetaGGA calc.

 Electronic Relaxation 1
   ENCUT  = 1200.0 eV  88.20 Ry    9.39 a.u.  28.72 25.99 23.83*2*pi/ulx,y,z
   ENINI  = 1200.0     initial cutoff
   ENAUG  = 1685.2 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  5; NELMDL= -5     # of ELM steps 
   EDIFF  = 0.1E-09   stopping-criterion for ELM
   LREAL  =      T    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =   -0.00025  -0.00025  -0.00025  -0.00025
 Ionic relaxation
   EDIFFG = 0.1E-08   stopping-criterion for IOM
   NSW    =      0    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      1    inner block; outer block 
   IBRION =     -1    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      0    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      2    stress and relaxation
   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps =****** mass=  -0.236E-26a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 16.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS =   1.00 12.01 16.00 24.30
  Ionic Valenz
   ZVAL   =   1.00  4.00  6.00 10.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00 -1.00 -1.00 -1.00
  virtual crystal weights 
   VCA    =   1.00  1.00  1.00  1.00
   NELECT =     368.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =  10.00;   EMAX   =-10.00  energy-range for DOS
   EFERMI =   0.00
   ISMEAR =    -5;   SIGMA  =   0.00  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     38    algorithm
   LDIAG  =      T    sub-space diagonalisation (order eigenvalues)
   LSUBROT=      F    optimize rotation matrix (better conditioning)
   TURBO    =      0    0=normal 1=particle mesh
   IRESTART =      0    0=no restart 2=restart with 2 vectors
   NREBOOT  =      0    no. of reboots
   NMIN     =      0    reboot dimension
   EREF     =   0.00    reference energy to select bands
   IMIX   =      4    mixing-type and parameters
     AMIX     =   0.40;   BMIX     =  1.00
     AMIX_MAG =   1.60;   BMIX_MAG =  1.00
     AMIN     =   0.10
     WC   =   100.;   INIMIX=   1;  MIXPRE=   1;  MAXMIX= -45

 Intra band minimization:
   WEIMIN = 0.0000     energy-eigenvalue tresh-hold
   EBREAK =  0.98E-13  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =       9.71        65.54
  Fermi-wavevector in a.u.,A,eV,Ry     =   1.309713  2.474998 23.338720  1.715348
  Thomas-Fermi vector in A             =   2.440293
 
 Write flags
   LWAVE  =      F    write WAVECAR
   LCHARG =      F    write CHGCAR
   LVTOT  =      F    write LOCPOT, total local potential
   LVHAR  =      F    write LOCPOT, Hartree potential only
   LELF   =      F    write electronic localiz. function (ELF)
   LORBIT =      0    0 simple, 1 ext, 2 COOP (PROOUT)


 Dipole corrections
   LMONO  =      F    monopole corrections only (constant potential shift)
   LDIPOL =      F    correct potential (dipole corrections)
   IDIPOL =      0    1-x, 2-y, 3-z, 4-all directions 
   EPSILON=  1.0000000 bulk dielectric constant

 Exchange correlation treatment:
   GGA     =    --    GGA type
   LEXCH   =     8    internal setting for exchange type
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   LHFCALC =     F    Hartree Fock is set to
   LHFONE  =     F    Hartree Fock one center treatment
   AEXX    =    0.0000 exact exchange contribution

 Linear response parameters
   LEPSILON=     F    determine dielectric tensor
   LRPA    =     F    only Hartree local field effects (RPA)
   LNABLA  =     F    use nabla operator in PAW spheres
   LVEL    =     F    velocity operator in full k-point grid
   LINTERFAST=   F  fast interpolation
   KINTER  =     0    interpolate to denser k-point grid
   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
   OMEGAMAX=  -1.0    maximum frequency
   DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
   RTIME   =    0.100 relaxation time in fs

 Orbital magnetization related:
   ORBITALMAG=     F  switch on orbital magnetization
   LMAGBLOCH =     F  use Bloch summation to obtain orbital mag.
   LCHIMAG   =     T  perturbation theory with respect to B field
   DQ        =  0.001000  dq finite difference perturbation B field
   LGAUGE    =     T  gauge transformation for 0 moment terms
   NUCIND    =     F  nuclear independent calculation        
   MAGPOS    =    0.0000    0.0000    0.0000  position of magnetic moment in nuclear independent calculation
   MAGATOM   =     0  atom on which magnetic dipole is placed
   JATOM     =     0  atom on which magnetic dipole is evaluated
   MAGDIPOL  =    0.0000    0.0000    0.0000 magnetic dipole

 Orbital magnetization related:
   ORBITALMAG=     F  switch on orbital magnetization
   LCHIMAG   =     T  perturbation theory with respect to B field
   DQ        =  0.001000  dq finite difference perturbation B field



--------------------------------------------------------------------------------------------------------


 Static calculation
 charge density and potential will be updated during run
 non-spin polarized calculation
 Variant of blocked Davidson
 Davidson routine will perform the subspace rotation
 perform sub-space diagonalisation
    after iterative eigenvector-optimisation
 modified Broyden-mixing scheme, WC =      100.0
 initial mixing is a Kerker type mixing with AMIX =  0.4000 and BMIX =      1.0000
 Hartree-type preconditioning will be used
 using additional bands           72
 WARNING: no broadening specified (might cause bad convergence)
 real space projection scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces 
   (improved forces if not selfconsistent)
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Fermi weights with tetrahedron method with Bloechl corrections


--------------------------------------------------------------------------------------------------------


  energy-cutoff  :     1200.00
  volume of cell :      718.69
      direct lattice vectors                 reciprocal lattice vectors
    10.169023958 -0.000212935 -0.002890195     0.098350555  0.000000219  0.044684045
    -0.000194154  9.200445047  0.000382223     0.000002275  0.108690395 -0.000004518
    -3.490501043  0.000392416  7.682668604     0.000036999 -0.000005407  0.130179915

  length of vectors
    10.169024371  9.200445057  8.438423701     0.108025439  0.108690395  0.130179921


 
 k-points in units of 2pi/SCALE and weight: CaAl4Si2O12H2                           
   0.00000000  0.00000000  0.00000000       0.003
   0.01639176  0.00000004  0.00744734       0.006
   0.03278352  0.00000007  0.01489468       0.006
   0.04917528  0.00000011  0.02234202       0.003
   0.00000032  0.01552720 -0.00000065       0.006
   0.01639208  0.01552724  0.00744670       0.006
   0.03278384  0.01552727  0.01489404       0.006
   0.04917560  0.01552731  0.02234138       0.006
  -0.03278319  0.01552713 -0.01489533       0.006
  -0.01639143  0.01552716 -0.00744799       0.006
   0.00000065  0.03105440 -0.00000129       0.006
   0.01639241  0.03105443  0.00744605       0.006
   0.03278417  0.03105447  0.01489339       0.006
   0.04917593  0.03105451  0.02234073       0.006
  -0.03278287  0.03105433 -0.01489597       0.006
  -0.01639111  0.03105436 -0.00744863       0.006
   0.00000097  0.04658160 -0.00000194       0.006
   0.01639273  0.04658163  0.00744540       0.006
   0.03278449  0.04658167  0.01489275       0.006
   0.04917625  0.04658171  0.02234009       0.006
  -0.03278254  0.04658152 -0.01489662       0.006
  -0.01639078  0.04658156 -0.00744928       0.006
   0.00000462 -0.00000068  0.01627249       0.006
   0.01639638 -0.00000064  0.02371983       0.006
   0.03278814 -0.00000060  0.03116717       0.006
   0.04917990 -0.00000057  0.03861451       0.006
  -0.03277889 -0.00000075  0.00137781       0.006
  -0.01638713 -0.00000071  0.00882515       0.006
   0.00000495  0.01552652  0.01627184       0.006
   0.01639671  0.01552656  0.02371918       0.006
   0.03278847  0.01552660  0.03116653       0.006
   0.04918023  0.01552663  0.03861387       0.006
  -0.03277857  0.01552645  0.00137716       0.006
  -0.01638681  0.01552649  0.00882450       0.006
   0.00000527  0.03105372  0.01627120       0.006
   0.01639703  0.03105376  0.02371854       0.006
   0.03278879  0.03105380  0.03116588       0.006
   0.04918055  0.03105383  0.03861322       0.006
  -0.03277824  0.03105365  0.00137652       0.006
  -0.01638648  0.03105369  0.00882386       0.006
   0.00000560  0.04658092  0.01627055       0.006
   0.01639736  0.04658096  0.02371789       0.006
   0.03278912  0.04658099  0.03116523       0.006
   0.04918088  0.04658103  0.03861258       0.006
  -0.03277792  0.04658085  0.00137587       0.006
  -0.01638616  0.04658089  0.00882321       0.006
   0.00000365 -0.04658227  0.01627443       0.006
   0.01639541 -0.04658224  0.02372177       0.006
   0.03278717 -0.04658220  0.03116911       0.006
   0.04917893 -0.04658216  0.03861645       0.006
  -0.03277987 -0.04658235  0.00137974       0.006
  -0.01638811 -0.04658231  0.00882708       0.006
   0.00000397 -0.03105507  0.01627378       0.006
   0.01639573 -0.03105504  0.02372112       0.006
   0.03278749 -0.03105500  0.03116846       0.006
   0.04917925 -0.03105496  0.03861580       0.006
  -0.03277954 -0.03105515  0.00137910       0.006
  -0.01638778 -0.03105511  0.00882644       0.006
   0.00000430 -0.01552788  0.01627313       0.006
   0.01639606 -0.01552784  0.02372048       0.006
   0.03278782 -0.01552780  0.03116782       0.006
   0.04917958 -0.01552777  0.03861516       0.006
  -0.03277922 -0.01552795  0.00137845       0.006
  -0.01638746 -0.01552791  0.00882579       0.006
   0.00000925 -0.00000135  0.03254498       0.006
   0.01640101 -0.00000132  0.03999232       0.006
   0.03279277 -0.00000128  0.04743966       0.006
   0.04918453 -0.00000124  0.05488700       0.006
  -0.03277427 -0.00000142  0.01765030       0.006
  -0.01638251 -0.00000139  0.02509764       0.006
   0.00000957  0.01552585  0.03254433       0.006
   0.01640133  0.01552588  0.03999167       0.006
   0.03279309  0.01552592  0.04743902       0.006
   0.04918485  0.01552596  0.05488636       0.006
  -0.03277394  0.01552577  0.01764965       0.006
  -0.01638218  0.01552581  0.02509699       0.006
   0.00000990  0.03105305  0.03254369       0.006
   0.01640166  0.03105308  0.03999103       0.006
   0.03279342  0.03105312  0.04743837       0.006
   0.04918518  0.03105316  0.05488571       0.006
  -0.03277362  0.03105297  0.01764901       0.006
  -0.01638186  0.03105301  0.02509635       0.006
   0.00001022  0.04658025  0.03254304       0.006
   0.01640198  0.04658028  0.03999038       0.006
   0.03279374  0.04658032  0.04743772       0.006
   0.04918550  0.04658036  0.05488507       0.006
  -0.03277329  0.04658017  0.01764836       0.006
  -0.01638153  0.04658021  0.02509570       0.006
   0.00000827 -0.04658295  0.03254692       0.006
   0.01640003 -0.04658291  0.03999426       0.006
   0.03279179 -0.04658288  0.04744160       0.006
   0.04918355 -0.04658284  0.05488894       0.006
  -0.03277524 -0.04658302  0.01765223       0.006
  -0.01638348 -0.04658299  0.02509957       0.006
   0.00000860 -0.03105575  0.03254627       0.006
   0.01640036 -0.03105571  0.03999361       0.006
   0.03279212 -0.03105568  0.04744095       0.006
   0.04918388 -0.03105564  0.05488829       0.006
  -0.03277492 -0.03105582  0.01765159       0.006
  -0.01638316 -0.03105579  0.02509893       0.006
   0.00000892 -0.01552855  0.03254562       0.006
   0.01640068 -0.01552851  0.03999297       0.006
   0.03279244 -0.01552848  0.04744031       0.006
   0.04918420 -0.01552844  0.05488765       0.006
  -0.03277459 -0.01552862  0.01765094       0.006
  -0.01638283 -0.01552859  0.02509828       0.006
   0.00001387 -0.00000203  0.04881747       0.006
   0.01640563 -0.00000199  0.05626481       0.006
   0.03279739 -0.00000195  0.06371215       0.006
   0.04918915 -0.00000192  0.07115949       0.006
  -0.03276964 -0.00000210  0.03392279       0.006
  -0.01637788 -0.00000206  0.04137013       0.006
   0.00001420  0.01552517  0.04881682       0.006
   0.01640596  0.01552521  0.05626416       0.006
   0.03279772  0.01552524  0.06371150       0.006
   0.04918948  0.01552528  0.07115885       0.006
  -0.03276932  0.01552510  0.03392214       0.006
  -0.01637756  0.01552513  0.04136948       0.006
   0.00001452  0.03105237  0.04881618       0.006
   0.01640628  0.03105241  0.05626352       0.006
   0.03279804  0.03105244  0.06371086       0.006
   0.04918980  0.03105248  0.07115820       0.006
  -0.03276899  0.03105230  0.03392150       0.006
  -0.01637723  0.03105233  0.04136884       0.006
   0.00001485  0.04657957  0.04881553       0.006
   0.01640661  0.04657961  0.05626287       0.006
   0.03279837  0.04657964  0.06371021       0.006
   0.04919013  0.04657968  0.07115755       0.006
  -0.03276867  0.04657950  0.03392085       0.006
  -0.01637691  0.04657953  0.04136819       0.006
   0.00001290 -0.04658363  0.04881940       0.006
   0.01640466 -0.04658359  0.05626675       0.006
   0.03279642 -0.04658355  0.06371409       0.006
   0.04918818 -0.04658352  0.07116143       0.006
  -0.03277062 -0.04658370  0.03392472       0.006
  -0.01637886 -0.04658366  0.04137206       0.006
   0.00001322 -0.03105643  0.04881876       0.006
   0.01640498 -0.03105639  0.05626610       0.006
   0.03279674 -0.03105635  0.06371344       0.006
   0.04918850 -0.03105632  0.07116078       0.006
  -0.03277029 -0.03105650  0.03392408       0.006
  -0.01637853 -0.03105646  0.04137142       0.006
   0.00001355 -0.01552923  0.04881811       0.006
   0.01640531 -0.01552919  0.05626545       0.006
   0.03279707 -0.01552915  0.06371280       0.006
   0.04918883 -0.01552912  0.07116014       0.006
  -0.03276997 -0.01552930  0.03392343       0.006
  -0.01637821 -0.01552926  0.04137077       0.006
   0.00001850 -0.00000270  0.06508996       0.003
   0.01641026 -0.00000267  0.07253730       0.006
   0.03280202 -0.00000263  0.07998464       0.006
   0.04919378 -0.00000259  0.08743198       0.003
   0.00001882  0.01552450  0.06508931       0.006
   0.01641058  0.01552453  0.07253665       0.006
   0.03280234  0.01552457  0.07998399       0.006
   0.04919410  0.01552461  0.08743133       0.006
  -0.03276469  0.01552442  0.05019463       0.006
  -0.01637293  0.01552446  0.05764197       0.006
   0.00001915  0.03105169  0.06508867       0.006
   0.01641091  0.03105173  0.07253601       0.006
   0.03280267  0.03105177  0.07998335       0.006
   0.04919443  0.03105180  0.08743069       0.006
  -0.03276437  0.03105162  0.05019398       0.006
  -0.01637261  0.03105166  0.05764133       0.006
   0.00001947  0.04657889  0.06508802       0.006
   0.01641123  0.04657893  0.07253536       0.006
   0.03280299  0.04657897  0.07998270       0.006
   0.04919475  0.04657900  0.08743004       0.006
  -0.03276404  0.04657882  0.05019334       0.006
  -0.01637228  0.04657886  0.05764068       0.006
 
 k-points in reciprocal lattice and weights: CaAl4Si2O12H2                           
   0.00000000  0.00000000  0.00000000       0.003
   0.16666667  0.00000000 -0.00000000       0.006
   0.33333333  0.00000000 -0.00000000       0.006
   0.50000000  0.00000000 -0.00000000       0.003
   0.00000000  0.14285714 -0.00000000       0.006
   0.16666667  0.14285714 -0.00000000       0.006
   0.33333333  0.14285714 -0.00000000       0.006
   0.50000000  0.14285714 -0.00000000       0.006
  -0.33333333  0.14285714  0.00000000       0.006
  -0.16666667  0.14285714  0.00000000       0.006
   0.00000000  0.28571429 -0.00000000       0.006
   0.16666667  0.28571429 -0.00000000       0.006
   0.33333333  0.28571429 -0.00000000       0.006
   0.50000000  0.28571429 -0.00000000       0.006
  -0.33333333  0.28571429  0.00000000       0.006
  -0.16666667  0.28571429  0.00000000       0.006
   0.00000000  0.42857143 -0.00000000       0.006
   0.16666667  0.42857143 -0.00000000       0.006
   0.33333333  0.42857143 -0.00000000       0.006
   0.50000000  0.42857143 -0.00000000       0.006
  -0.33333333  0.42857143  0.00000000       0.006
  -0.16666667  0.42857143  0.00000000       0.006
  -0.00000000  0.00000000  0.12500000       0.006
   0.16666667  0.00000000  0.12500000       0.006
   0.33333333  0.00000000  0.12500000       0.006
   0.50000000  0.00000000  0.12500000       0.006
  -0.33333333  0.00000000  0.12500000       0.006
  -0.16666667  0.00000000  0.12500000       0.006
  -0.00000000  0.14285714  0.12500000       0.006
   0.16666667  0.14285714  0.12500000       0.006
   0.33333333  0.14285714  0.12500000       0.006
   0.50000000  0.14285714  0.12500000       0.006
  -0.33333333  0.14285714  0.12500000       0.006
  -0.16666667  0.14285714  0.12500000       0.006
  -0.00000000  0.28571429  0.12500000       0.006
   0.16666667  0.28571429  0.12500000       0.006
   0.33333333  0.28571429  0.12500000       0.006
   0.50000000  0.28571429  0.12500000       0.006
  -0.33333333  0.28571429  0.12500000       0.006
  -0.16666667  0.28571429  0.12500000       0.006
   0.00000000  0.42857143  0.12500000       0.006
   0.16666667  0.42857143  0.12500000       0.006
   0.33333333  0.42857143  0.12500000       0.006
   0.50000000  0.42857143  0.12500000       0.006
  -0.33333333  0.42857143  0.12500000       0.006
  -0.16666667  0.42857143  0.12500000       0.006
  -0.00000000 -0.42857143  0.12500000       0.006
   0.16666667 -0.42857143  0.12500000       0.006
   0.33333333 -0.42857143  0.12500000       0.006
   0.50000000 -0.42857143  0.12500000       0.006
  -0.33333333 -0.42857143  0.12500000       0.006
  -0.16666667 -0.42857143  0.12500000       0.006
  -0.00000000 -0.28571429  0.12500000       0.006
   0.16666667 -0.28571429  0.12500000       0.006
   0.33333333 -0.28571429  0.12500000       0.006
   0.50000000 -0.28571429  0.12500000       0.006
  -0.33333333 -0.28571429  0.12500000       0.006
  -0.16666667 -0.28571429  0.12500000       0.006
   0.00000000 -0.14285714  0.12500000       0.006
   0.16666667 -0.14285714  0.12500000       0.006
   0.33333333 -0.14285714  0.12500000       0.006
   0.50000000 -0.14285714  0.12500000       0.006
  -0.33333333 -0.14285714  0.12500000       0.006
  -0.16666667 -0.14285714  0.12500000       0.006
  -0.00000000  0.00000000  0.25000000       0.006
   0.16666667  0.00000000  0.25000000       0.006
   0.33333333  0.00000000  0.25000000       0.006
   0.50000000  0.00000000  0.25000000       0.006
  -0.33333333  0.00000000  0.25000000       0.006
  -0.16666667  0.00000000  0.25000000       0.006
  -0.00000000  0.14285714  0.25000000       0.006
   0.16666667  0.14285714  0.25000000       0.006
   0.33333333  0.14285714  0.25000000       0.006
   0.50000000  0.14285714  0.25000000       0.006
  -0.33333333  0.14285714  0.25000000       0.006
  -0.16666667  0.14285714  0.25000000       0.006
   0.00000000  0.28571429  0.25000000       0.006
   0.16666667  0.28571429  0.25000000       0.006
   0.33333333  0.28571429  0.25000000       0.006
   0.50000000  0.28571429  0.25000000       0.006
  -0.33333333  0.28571429  0.25000000       0.006
  -0.16666667  0.28571429  0.25000000       0.006
   0.00000000  0.42857143  0.25000000       0.006
   0.16666667  0.42857143  0.25000000       0.006
   0.33333333  0.42857143  0.25000000       0.006
   0.50000000  0.42857143  0.25000000       0.006
  -0.33333333  0.42857143  0.25000000       0.006
  -0.16666667  0.42857143  0.25000000       0.006
  -0.00000000 -0.42857143  0.25000000       0.006
   0.16666667 -0.42857143  0.25000000       0.006
   0.33333333 -0.42857143  0.25000000       0.006
   0.50000000 -0.42857143  0.25000000       0.006
  -0.33333333 -0.42857143  0.25000000       0.006
  -0.16666667 -0.42857143  0.25000000       0.006
  -0.00000000 -0.28571429  0.25000000       0.006
   0.16666667 -0.28571429  0.25000000       0.006
   0.33333333 -0.28571429  0.25000000       0.006
   0.50000000 -0.28571429  0.25000000       0.006
  -0.33333333 -0.28571429  0.25000000       0.006
  -0.16666667 -0.28571429  0.25000000       0.006
  -0.00000000 -0.14285714  0.25000000       0.006
   0.16666667 -0.14285714  0.25000000       0.006
   0.33333333 -0.14285714  0.25000000       0.006
   0.50000000 -0.14285714  0.25000000       0.006
  -0.33333333 -0.14285714  0.25000000       0.006
  -0.16666667 -0.14285714  0.25000000       0.006
  -0.00000000 -0.00000000  0.37500000       0.006
   0.16666667  0.00000000  0.37500000       0.006
   0.33333333  0.00000000  0.37500000       0.006
   0.50000000  0.00000000  0.37500000       0.006
  -0.33333333  0.00000000  0.37500000       0.006
  -0.16666667  0.00000000  0.37500000       0.006
  -0.00000000  0.14285714  0.37500000       0.006
   0.16666667  0.14285714  0.37500000       0.006
   0.33333333  0.14285714  0.37500000       0.006
   0.50000000  0.14285714  0.37500000       0.006
  -0.33333333  0.14285714  0.37500000       0.006
  -0.16666667  0.14285714  0.37500000       0.006
  -0.00000000  0.28571429  0.37500000       0.006
   0.16666667  0.28571429  0.37500000       0.006
   0.33333333  0.28571429  0.37500000       0.006
   0.50000000  0.28571429  0.37500000       0.006
  -0.33333333  0.28571429  0.37500000       0.006
  -0.16666667  0.28571429  0.37500000       0.006
   0.00000000  0.42857143  0.37500000       0.006
   0.16666667  0.42857143  0.37500000       0.006
   0.33333333  0.42857143  0.37500000       0.006
   0.50000000  0.42857143  0.37500000       0.006
  -0.33333333  0.42857143  0.37500000       0.006
  -0.16666667  0.42857143  0.37500000       0.006
  -0.00000000 -0.42857143  0.37500000       0.006
   0.16666667 -0.42857143  0.37500000       0.006
   0.33333333 -0.42857143  0.37500000       0.006
   0.50000000 -0.42857143  0.37500000       0.006
  -0.33333333 -0.42857143  0.37500000       0.006
  -0.16666667 -0.42857143  0.37500000       0.006
  -0.00000000 -0.28571429  0.37500000       0.006
   0.16666667 -0.28571429  0.37500000       0.006
   0.33333333 -0.28571429  0.37500000       0.006
   0.50000000 -0.28571429  0.37500000       0.006
  -0.33333333 -0.28571429  0.37500000       0.006
  -0.16666667 -0.28571429  0.37500000       0.006
  -0.00000000 -0.14285714  0.37500000       0.006
   0.16666667 -0.14285714  0.37500000       0.006
   0.33333333 -0.14285714  0.37500000       0.006
   0.50000000 -0.14285714  0.37500000       0.006
  -0.33333333 -0.14285714  0.37500000       0.006
  -0.16666667 -0.14285714  0.37500000       0.006
  -0.00000000  0.00000000  0.50000000       0.003
   0.16666667  0.00000000  0.50000000       0.006
   0.33333333  0.00000000  0.50000000       0.006
   0.50000000  0.00000000  0.50000000       0.003
  -0.00000000  0.14285714  0.50000000       0.006
   0.16666667  0.14285714  0.50000000       0.006
   0.33333333  0.14285714  0.50000000       0.006
   0.50000000  0.14285714  0.50000000       0.006
  -0.33333333  0.14285714  0.50000000       0.006
  -0.16666667  0.14285714  0.50000000       0.006
  -0.00000000  0.28571429  0.50000000       0.006
   0.16666667  0.28571429  0.50000000       0.006
   0.33333333  0.28571429  0.50000000       0.006
   0.50000000  0.28571429  0.50000000       0.006
  -0.33333333  0.28571429  0.50000000       0.006
  -0.16666667  0.28571429  0.50000000       0.006
  -0.00000000  0.42857143  0.50000000       0.006
   0.16666667  0.42857143  0.50000000       0.006
   0.33333333  0.42857143  0.50000000       0.006
   0.50000000  0.42857143  0.50000000       0.006
  -0.33333333  0.42857143  0.50000000       0.006
  -0.16666667  0.42857143  0.50000000       0.006
 
 position of ions in fractional coordinates (direct lattice) 
   0.23696954  0.87965703  0.12204664
   0.14600815  0.62792061  0.30125282
   0.30207079  0.68953362  0.35223606
   0.13765602  0.90008753  0.36486349
   0.23449273  0.91928615  0.57141805
   0.76302151  0.37968735  0.37801467
   0.85397998  0.12794401  0.19864489
   0.69793933  0.18957090  0.14770712
   0.86232218  0.40007246  0.13518787
   0.76550894  0.41927686  0.92863842
   0.76305097  0.12032241  0.87798514
   0.85398899  0.37207335  0.69873415
   0.69791357  0.31047919  0.64773256
   0.86232552  0.09991606  0.63513378
   0.76549743  0.08074227  0.42857851
   0.23694681  0.62029919  0.62196477
   0.14602972  0.87206295  0.80135329
   0.30206995  0.81044110  0.85227598
   0.13766428  0.59990210  0.86476940
   0.23448401  0.58070431  0.07133275
   0.07842544  0.25898106  0.28014426
   0.47198499  0.33301505  0.23695135
   0.92155656  0.75900085  0.21983971
   0.52803949  0.83302421  0.26309238
   0.92157879  0.74100959  0.71987116
   0.52801606  0.66699973  0.76305230
   0.07843632  0.24099942  0.78015771
   0.47197785  0.16698812  0.73693394
   0.22556933  0.98439499  0.11687684
   0.24230695  0.60502605  0.29694393
   0.23686087  0.92305759  0.45609241
   0.00506706  0.15892352  0.17466621
   0.01092406  0.36512626  0.31129333
   0.21945510  0.25436041  0.35424466
   0.42878922  0.20010262  0.21609935
   0.49302877  0.40118178  0.38029826
   0.49689365  0.39778689  0.11564908
   0.77444483  0.48442296  0.38318205
   0.75769554  0.10503658  0.20296125
   0.76314238  0.42308760  0.04396036
   0.99494727  0.65882553  0.32512865
   0.98898733  0.86529896  0.18881883
   0.78051274  0.75435716  0.14575732
   0.57121887  0.70009892  0.28396438
   0.50701032  0.90120300  0.11974705
   0.50311875  0.89779341  0.38437046
   0.77444655  0.01558588  0.88313230
   0.75768762  0.39497730  0.70304093
   0.76311993  0.07696520  0.54390037
   0.99496519  0.84106080  0.82533746
   0.98904486  0.63485641  0.68866920
   0.78054060  0.74561802  0.64580752
   0.57121806  0.79991701  0.78393131
   0.50694207  0.59884718  0.61968425
   0.50312051  0.60220543  0.88435332
   0.22553559  0.51556116  0.61681016
   0.24231978  0.89498380  0.79704211
   0.23685362  0.57689599  0.95600823
   0.00503125  0.34114827  0.67485334
   0.01102316  0.13468999  0.81118071
   0.21947231  0.24565657  0.85426661
   0.42879387  0.29991138  0.71607616
   0.49302671  0.09879648  0.88027645
   0.49688172  0.10222289  0.61564689
   0.34473801  0.06927464  0.36018249
   0.34442078  0.43143929  0.49095292
   0.65524730  0.56928403  0.13983846
   0.65559403  0.93144307  0.00903716
   0.65524929  0.93073377  0.63982219
   0.65559039  0.56857014  0.50906969
   0.34476686  0.43072238  0.86017316
   0.34442871  0.06856160  0.99098465
   0.00000997  0.99999179  0.99999715
   0.99999210  0.49998784  0.49998716
 
 position of ions in cartesian coordinates  (Angst):
   1.98357422  8.09323364  0.93729522
   0.43311520  5.77723623  2.31424359
   1.84215087  6.34409009  2.70550344
   0.12609623  8.28131970  2.80307144
   0.38984839  8.45801601  4.38968916
   6.43964973  3.49327850  2.90210128
   7.99074785  1.17703794  1.52370356
   6.58175314  1.74404596  1.13284015
   8.29702387  3.68071409  1.03626421
   4.54298401  3.85773515  7.13236900
   4.69485220  1.10720179  6.74310946
   6.24522993  3.42333276  5.36581697
   4.83612841  2.85665234  4.97441616
   6.55205437  0.91933783  4.87706828
   6.28839233  0.74287003  3.29044509
   0.23842867  5.70722223  4.77790148
  -1.31231407  8.02365062  6.15644303
   0.09672906  7.45668896  6.54719060
  -1.61868357  5.51967635  6.64356813
   2.13537377  5.34271611  0.54757015
  -0.18038391  2.38283423  2.15212782
   3.97248306  3.06387919  1.81918185
   8.60383265  6.98303564  1.68658230
   4.45116031  7.66418424  2.02004381
   6.85870190  6.81770423  5.52815123
   2.70584364  6.13688135  5.86100683
  -1.92556724  2.21759134  5.99355857
   2.22725301  1.53655370  5.66031893
   1.88567009  9.05686988  0.89765038
   1.42742461  5.56657387  2.28085272
   0.81647358  8.49266914  3.50367508
  -0.55817643  1.46223455  1.34194871
  -0.97555361  3.35944390  2.39167148
   0.99510338  2.34032128  2.72100730
   3.60603397  1.84102665  1.65905692
   3.68611203  3.69109517  2.92043391
   4.64917300  3.65975603  0.88720946
   6.53775664  4.45689230  2.94180760
   6.99656719  0.96630154  1.55713432
   7.60688736  3.89244898  0.33568893
   8.98265281  6.06140384  2.49523192
   9.39779550  7.96099903  1.44810485
   7.42814027  6.94031264  1.11783765
   4.81742450  6.44121142  2.18022087
   4.73764788  8.29140773  0.91885600
   3.77440686  8.26014260  2.95187991
   4.79278832  0.14357872  6.78258042
   5.25090173  3.63408147  5.39919159
   5.86168507  0.70816505  4.17643018
   7.23682030  7.73824569  6.33824001
   7.65369709  5.84102118  5.28820139
   5.68299953  6.86010480  4.95955422
   3.07226179  7.35977850  6.02133931
   2.99198124  5.50979576  4.75959249
   2.02929138  5.54079789  6.79296956
   0.14040022  4.74358610  4.73829327
  -0.31809446  8.23451047  6.12305209
  -0.92848963  5.30802460  7.34423039
  -2.30447962  3.13897969  5.18479042
  -2.71935847  1.23952380  6.23205217
  -0.75004698  2.26043826  6.56250684
   1.86089236  2.75950782  5.50025117
   1.94097534  0.90921206  6.76148504
   2.90386619  0.94063186  4.72841399
   2.24841829  0.63742542  2.76619279
   1.78866775  3.96955280  3.77099803
   6.17500867  5.23758178  1.07265636
   6.63502633  8.56955475  0.06789074
   4.42976505  8.56327642  4.91400379
   4.88969575  5.23115847  3.90933623
   0.50342357  3.96310169  6.60759349
   0.04345754  0.63111280  7.61243740
  -3.49058386  9.20076189  7.68302893
   8.42364087  4.60009394  3.83853661
 


--------------------------------------------------------------------------------------------------------


 k-point  1 :   0.0000 0.0000 0.0000  plane waves:   67881
 k-point  2 :   0.1667 0.0000-0.0000  plane waves:   67807
 k-point  3 :   0.3333 0.0000-0.0000  plane waves:   67781
 k-point  4 :   0.5000 0.0000-0.0000  plane waves:   67792
 k-point  5 :   0.0000 0.1429-0.0000  plane waves:   67830
 k-point  6 :   0.1667 0.1429-0.0000  plane waves:   67809
 k-point  7 :   0.3333 0.1429-0.0000  plane waves:   67830
 k-point  8 :   0.5000 0.1429-0.0000  plane waves:   67847
 k-point  9 :  -0.3333 0.1429 0.0000  plane waves:   67827
 k-point 10 :  -0.1667 0.1429 0.0000  plane waves:   67809
 k-point 11 :   0.0000 0.2857-0.0000  plane waves:   67872
 k-point 12 :   0.1667 0.2857-0.0000  plane waves:   67823
 k-point 13 :   0.3333 0.2857-0.0000  plane waves:   67856
 k-point 14 :   0.5000 0.2857-0.0000  plane waves:   67852
 k-point 15 :  -0.3333 0.2857 0.0000  plane waves:   67861
 k-point 16 :  -0.1667 0.2857 0.0000  plane waves:   67824
 k-point 17 :   0.0000 0.4286-0.0000  plane waves:   67896
 k-point 18 :   0.1667 0.4286-0.0000  plane waves:   67840
 k-point 19 :   0.3333 0.4286-0.0000  plane waves:   67850
 k-point 20 :   0.5000 0.4286-0.0000  plane waves:   67821
 k-point 21 :  -0.3333 0.4286 0.0000  plane waves:   67848
 k-point 22 :  -0.1667 0.4286 0.0000  plane waves:   67839
 k-point 23 :  -0.0000 0.0000 0.1250  plane waves:   67822
 k-point 24 :   0.1667 0.0000 0.1250  plane waves:   67829
 k-point 25 :   0.3333 0.0000 0.1250  plane waves:   67793
 k-point 26 :   0.5000 0.0000 0.1250  plane waves:   67804
 k-point 27 :  -0.3333 0.0000 0.1250  plane waves:   67802
 k-point 28 :  -0.1667 0.0000 0.1250  plane waves:   67831
 k-point 29 :  -0.0000 0.1429 0.1250  plane waves:   67831
 k-point 30 :   0.1667 0.1429 0.1250  plane waves:   67826
 k-point 31 :   0.3333 0.1429 0.1250  plane waves:   67830
 k-point 32 :   0.5000 0.1429 0.1250  plane waves:   67832
 k-point 33 :  -0.3333 0.1429 0.1250  plane waves:   67815
 k-point 34 :  -0.1667 0.1429 0.1250  plane waves:   67833
 k-point 35 :  -0.0000 0.2857 0.1250  plane waves:   67841
 k-point 36 :   0.1667 0.2857 0.1250  plane waves:   67845
 k-point 37 :   0.3333 0.2857 0.1250  plane waves:   67850
 k-point 38 :   0.5000 0.2857 0.1250  plane waves:   67854
 k-point 39 :  -0.3333 0.2857 0.1250  plane waves:   67823
 k-point 40 :  -0.1667 0.2857 0.1250  plane waves:   67843
 k-point 41 :   0.0000 0.4286 0.1250  plane waves:   67842
 k-point 42 :   0.1667 0.4286 0.1250  plane waves:   67829
 k-point 43 :   0.3333 0.4286 0.1250  plane waves:   67836
 k-point 44 :   0.5000 0.4286 0.1250  plane waves:   67842
 k-point 45 :  -0.3333 0.4286 0.1250  plane waves:   67836
 k-point 46 :  -0.1667 0.4286 0.1250  plane waves:   67834
 k-point 47 :  -0.0000-0.4286 0.1250  plane waves:   67844
 k-point 48 :   0.1667-0.4286 0.1250  plane waves:   67830
 k-point 49 :   0.3333-0.4286 0.1250  plane waves:   67836
 k-point 50 :   0.5000-0.4286 0.1250  plane waves:   67841
 k-point 51 :  -0.3333-0.4286 0.1250  plane waves:   67837
 k-point 52 :  -0.1667-0.4286 0.1250  plane waves:   67835
 k-point 53 :  -0.0000-0.2857 0.1250  plane waves:   67838
 k-point 54 :   0.1667-0.2857 0.1250  plane waves:   67843
 k-point 55 :   0.3333-0.2857 0.1250  plane waves:   67854
 k-point 56 :   0.5000-0.2857 0.1250  plane waves:   67857
 k-point 57 :  -0.3333-0.2857 0.1250  plane waves:   67823
 k-point 58 :  -0.1667-0.2857 0.1250  plane waves:   67839
 k-point 59 :   0.0000-0.1429 0.1250  plane waves:   67836
 k-point 60 :   0.1667-0.1429 0.1250  plane waves:   67822
 k-point 61 :   0.3333-0.1429 0.1250  plane waves:   67826
 k-point 62 :   0.5000-0.1429 0.1250  plane waves:   67836
 k-point 63 :  -0.3333-0.1429 0.1250  plane waves:   67816
 k-point 64 :  -0.1667-0.1429 0.1250  plane waves:   67836
 k-point 65 :  -0.0000 0.0000 0.2500  plane waves:   67800
 k-point 66 :   0.1667 0.0000 0.2500  plane waves:   67801
 k-point 67 :   0.3333 0.0000 0.2500  plane waves:   67807
 k-point 68 :   0.5000 0.0000 0.2500  plane waves:   67794
 k-point 69 :  -0.3333 0.0000 0.2500  plane waves:   67794
 k-point 70 :  -0.1667 0.0000 0.2500  plane waves:   67816
 k-point 71 :  -0.0000 0.1429 0.2500  plane waves:   67837
 k-point 72 :   0.1667 0.1429 0.2500  plane waves:   67866
 k-point 73 :   0.3333 0.1429 0.2500  plane waves:   67815
 k-point 74 :   0.5000 0.1429 0.2500  plane waves:   67823
 k-point 75 :  -0.3333 0.1429 0.2500  plane waves:   67840
 k-point 76 :  -0.1667 0.1429 0.2500  plane waves:   67849
 k-point 77 :   0.0000 0.2857 0.2500  plane waves:   67839
 k-point 78 :   0.1667 0.2857 0.2500  plane waves:   67856
 k-point 79 :   0.3333 0.2857 0.2500  plane waves:   67848
 k-point 80 :   0.5000 0.2857 0.2500  plane waves:   67823
 k-point 81 :  -0.3333 0.2857 0.2500  plane waves:   67854
 k-point 82 :  -0.1667 0.2857 0.2500  plane waves:   67838
 k-point 83 :   0.0000 0.4286 0.2500  plane waves:   67864
 k-point 84 :   0.1667 0.4286 0.2500  plane waves:   67830
 k-point 85 :   0.3333 0.4286 0.2500  plane waves:   67868
 k-point 86 :   0.5000 0.4286 0.2500  plane waves:   67833
 k-point 87 :  -0.3333 0.4286 0.2500  plane waves:   67864
 k-point 88 :  -0.1667 0.4286 0.2500  plane waves:   67860
 k-point 89 :  -0.0000-0.4286 0.2500  plane waves:   67863
 k-point 90 :   0.1667-0.4286 0.2500  plane waves:   67829
 k-point 91 :   0.3333-0.4286 0.2500  plane waves:   67873
 k-point 92 :   0.5000-0.4286 0.2500  plane waves:   67833
 k-point 93 :  -0.3333-0.4286 0.2500  plane waves:   67864
 k-point 94 :  -0.1667-0.4286 0.2500  plane waves:   67860
 k-point 95 :  -0.0000-0.2857 0.2500  plane waves:   67838
 k-point 96 :   0.1667-0.2857 0.2500  plane waves:   67861
 k-point 97 :   0.3333-0.2857 0.2500  plane waves:   67845
 k-point 98 :   0.5000-0.2857 0.2500  plane waves:   67829
 k-point 99 :  -0.3333-0.2857 0.2500  plane waves:   67857
 k-point ** :  -0.1667-0.2857 0.2500  plane waves:   67837
 k-point ** :  -0.0000-0.1429 0.2500  plane waves:   67837
 k-point ** :   0.1667-0.1429 0.2500  plane waves:   67864
 k-point ** :   0.3333-0.1429 0.2500  plane waves:   67815
 k-point ** :   0.5000-0.1429 0.2500  plane waves:   67822
 k-point ** :  -0.3333-0.1429 0.2500  plane waves:   67841
 k-point ** :  -0.1667-0.1429 0.2500  plane waves:   67850
 k-point ** :  -0.0000-0.0000 0.3750  plane waves:   67820
 k-point ** :   0.1667 0.0000 0.3750  plane waves:   67833
 k-point ** :   0.3333 0.0000 0.3750  plane waves:   67841
 k-point ** :   0.5000 0.0000 0.3750  plane waves:   67814
 k-point ** :  -0.3333 0.0000 0.3750  plane waves:   67793
 k-point ** :  -0.1667 0.0000 0.3750  plane waves:   67822
 k-point ** :  -0.0000 0.1429 0.3750  plane waves:   67820
 k-point ** :   0.1667 0.1429 0.3750  plane waves:   67852
 k-point ** :   0.3333 0.1429 0.3750  plane waves:   67864
 k-point ** :   0.5000 0.1429 0.3750  plane waves:   67849
 k-point ** :  -0.3333 0.1429 0.3750  plane waves:   67812
 k-point ** :  -0.1667 0.1429 0.3750  plane waves:   67832
 k-point ** :  -0.0000 0.2857 0.3750  plane waves:   67840
 k-point ** :   0.1667 0.2857 0.3750  plane waves:   67850
 k-point ** :   0.3333 0.2857 0.3750  plane waves:   67851
 k-point ** :   0.5000 0.2857 0.3750  plane waves:   67846
 k-point ** :  -0.3333 0.2857 0.3750  plane waves:   67836
 k-point ** :  -0.1667 0.2857 0.3750  plane waves:   67849
 k-point ** :   0.0000 0.4286 0.3750  plane waves:   67878
 k-point ** :   0.1667 0.4286 0.3750  plane waves:   67866
 k-point ** :   0.3333 0.4286 0.3750  plane waves:   67826
 k-point ** :   0.5000 0.4286 0.3750  plane waves:   67866
 k-point ** :  -0.3333 0.4286 0.3750  plane waves:   67882
 k-point ** :  -0.1667 0.4286 0.3750  plane waves:   67862
 k-point ** :  -0.0000-0.4286 0.3750  plane waves:   67879
 k-point ** :   0.1667-0.4286 0.3750  plane waves:   67866
 k-point ** :   0.3333-0.4286 0.3750  plane waves:   67824
 k-point ** :   0.5000-0.4286 0.3750  plane waves:   67864
 k-point ** :  -0.3333-0.4286 0.3750  plane waves:   67879
 k-point ** :  -0.1667-0.4286 0.3750  plane waves:   67858
 k-point ** :  -0.0000-0.2857 0.3750  plane waves:   67837
 k-point ** :   0.1667-0.2857 0.3750  plane waves:   67846
 k-point ** :   0.3333-0.2857 0.3750  plane waves:   67849
 k-point ** :   0.5000-0.2857 0.3750  plane waves:   67848
 k-point ** :  -0.3333-0.2857 0.3750  plane waves:   67837
 k-point ** :  -0.1667-0.2857 0.3750  plane waves:   67849
 k-point ** :  -0.0000-0.1429 0.3750  plane waves:   67822
 k-point ** :   0.1667-0.1429 0.3750  plane waves:   67857
 k-point ** :   0.3333-0.1429 0.3750  plane waves:   67859
 k-point ** :   0.5000-0.1429 0.3750  plane waves:   67843
 k-point ** :  -0.3333-0.1429 0.3750  plane waves:   67818
 k-point ** :  -0.1667-0.1429 0.3750  plane waves:   67835
 k-point ** :  -0.0000 0.0000 0.5000  plane waves:   67820
 k-point ** :   0.1667 0.0000 0.5000  plane waves:   67843
 k-point ** :   0.3333 0.0000 0.5000  plane waves:   67835
 k-point ** :   0.5000 0.0000 0.5000  plane waves:   67802
 k-point ** :  -0.0000 0.1429 0.5000  plane waves:   67848
 k-point ** :   0.1667 0.1429 0.5000  plane waves:   67851
 k-point ** :   0.3333 0.1429 0.5000  plane waves:   67846
 k-point ** :   0.5000 0.1429 0.5000  plane waves:   67846
 k-point ** :  -0.3333 0.1429 0.5000  plane waves:   67847
 k-point ** :  -0.1667 0.1429 0.5000  plane waves:   67852
 k-point ** :  -0.0000 0.2857 0.5000  plane waves:   67839
 k-point ** :   0.1667 0.2857 0.5000  plane waves:   67835
 k-point ** :   0.3333 0.2857 0.5000  plane waves:   67834
 k-point ** :   0.5000 0.2857 0.5000  plane waves:   67856
 k-point ** :  -0.3333 0.2857 0.5000  plane waves:   67833
 k-point ** :  -0.1667 0.2857 0.5000  plane waves:   67835
 k-point ** :  -0.0000 0.4286 0.5000  plane waves:   67911
 k-point ** :   0.1667 0.4286 0.5000  plane waves:   67834
 k-point ** :   0.3333 0.4286 0.5000  plane waves:   67840
 k-point ** :   0.5000 0.4286 0.5000  plane waves:   67882
 k-point ** :  -0.3333 0.4286 0.5000  plane waves:   67837
 k-point ** :  -0.1667 0.4286 0.5000  plane waves:   67831

 maximum and minimum number of plane-waves per node :     67911    67781

 maximum number of plane-waves:     67911
 maximum index in each direction: 
   IXMAX=   29   IYMAX=   26   IZMAX=   23
   IXMIN=  -29   IYMIN=  -26   IZMIN=  -24

 NGX is ok and might be reduce to 118
 NGY is ok and might be reduce to 106
 NGZ is ok and might be reduce to  96

 serial   3D FFT for wavefunctions
 parallel 3D FFT for charge:
    minimum data exchange during FFTs selected (reduces bandwidth)


 total amount of memory used by VASP on root node   877040. kBytes
========================================================================

   base      :      30000. kBytes
   nonlr-proj:      27346. kBytes
   fftplans  :      10625. kBytes
   grid      :      62014. kBytes
   one-center:        600. kBytes
   wavefun   :     746455. kBytes
 
     INWAV:  cpu time    0.0000: real time    0.0001
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 57   NGY = 51   NGZ = 47
  (NGX  =240   NGY  =216   NGZ  =192)
  gives a total of 136629 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron     368.0000000 magnetization 
 keeping initial charge density in first step


--------------------------------------------------------------------------------------------------------


 Maximum index for non-local projection operator         6637
 Maximum index for augmentation-charges          895 (set IRDMAX)


--------------------------------------------------------------------------------------------------------


 First call to EWALD:  gamma=   0.198
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

 FEWALD executed in parallel
    FEWALD:  cpu time    0.4400: real time    0.4398


----------------------------------------- Iteration    1(   1)  ---------------------------------------


    POTLOK:  cpu time    0.2200: real time    0.2213
    SETDIJ:  cpu time    0.0080: real time    0.0087
     EDDAV:  cpu time  203.3967: real time  203.5051
 BZINTS: Fermi energy: 20.939838;368.000000 electrons
         Band energy:***********;  BLOECHL correction: -0.039651
       DOS:  cpu time    0.5840: real time    0.5851
    --------------------------------------------
      LOOP:  cpu time  204.2128: real time  204.3467

 eigenvalue-minimisations  : 87040
 total energy-change (2. order) : 0.5043425E+04  (-0.3266719E+05)
 number of electron     368.0000000 magnetization 
 augmentation part      368.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -13676.90861804
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1711.25847993
  PAW double counting   =     20250.41872878   -21141.72358805
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -1030.28118235
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      5043.42493262 eV

  energy without entropy =     5043.42493262  energy(sigma->0) =     5043.42493262


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   2)  ---------------------------------------


     EDDAV:  cpu time  235.0187: real time  235.1241
 BZINTS: Fermi energy:  1.898068;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0920: real time    0.0904
    --------------------------------------------
      LOOP:  cpu time  235.1907: real time  235.8163

 eigenvalue-minimisations  :111168
 total energy-change (2. order) :-0.4920572E+04  (-0.4715692E+04)
 number of electron     368.0000000 magnetization 
 augmentation part      368.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -13676.90861804
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1711.25847993
  PAW double counting   =     20250.41872878   -21141.72358805
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5950.85277353
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       122.85334144 eV

  energy without entropy =      122.85334144  energy(sigma->0) =      122.85334144


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   3)  ---------------------------------------


     EDDAV:  cpu time  222.3539: real time  222.4517
 BZINTS: Fermi energy: -2.402669;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0760: real time    0.0766
    --------------------------------------------
      LOOP:  cpu time  222.4299: real time  222.5469

 eigenvalue-minimisations  :130560
 total energy-change (2. order) :-0.5920354E+03  (-0.5856140E+03)
 number of electron     368.0000000 magnetization 
 augmentation part      368.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -13676.90861804
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1711.25847993
  PAW double counting   =     20250.41872878   -21141.72358805
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -6542.88814952
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -469.18203455 eV

  energy without entropy =     -469.18203455  energy(sigma->0) =     -469.18203455


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   4)  ---------------------------------------


     EDDAV:  cpu time  242.0551: real time  242.1644
 BZINTS: Fermi energy: -2.520907;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0920: real time    0.0903
    --------------------------------------------
      LOOP:  cpu time  242.1511: real time  242.2735

 eigenvalue-minimisations  :140608
 total energy-change (2. order) :-0.3408730E+02  (-0.3386357E+02)
 number of electron     368.0000000 magnetization 
 augmentation part      368.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -13676.90861804
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1711.25847993
  PAW double counting   =     20250.41872878   -21141.72358805
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -6576.97544985
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -503.26933488 eV

  energy without entropy =     -503.26933488  energy(sigma->0) =     -503.26933488


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   5)  ---------------------------------------


     EDDAV:  cpu time  211.0012: real time  211.0955
 BZINTS: Fermi energy: -2.553387;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0760: real time    0.0744
    CHARGE:  cpu time    8.3085: real time    8.3120
    MIXING:  cpu time    0.0040: real time    0.0042
    --------------------------------------------
      LOOP:  cpu time  219.3897: real time  219.5621

 eigenvalue-minimisations  :119808
 total energy-change (2. order) :-0.2004084E+01  (-0.2003940E+01)
 number of electron     368.0000018 magnetization 
 augmentation part       41.6942523 magnetization 

 Broyden mixing:
  rms(total) = 0.44276E+01    rms(broyden)= 0.44273E+01
  rms(prec ) = 0.58434E+01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -13676.90861804
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1711.25847993
  PAW double counting   =     20250.41872878   -21141.72358805
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -6578.97953341
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -505.27341843 eV

  energy without entropy =     -505.27341843  energy(sigma->0) =     -505.27341843


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   6)  ---------------------------------------


    POTLOK:  cpu time    0.1600: real time    0.1610
    SETDIJ:  cpu time    0.0080: real time    0.0079
     EDDAV:  cpu time  189.6279: real time  189.7116
 BZINTS: Fermi energy: -0.074624;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.1200: real time    0.1184
    CHARGE:  cpu time    8.3485: real time    8.3523
    MIXING:  cpu time    0.0000: real time    0.0024
    --------------------------------------------
      LOOP:  cpu time  198.2644: real time  198.3728

 eigenvalue-minimisations  :108800
 total energy-change (2. order) : 0.4389690E+02  (-0.1404152E+02)
 number of electron     368.0000018 magnetization 
 augmentation part       40.0365165 magnetization 

 Broyden mixing:
  rms(total) = 0.15471E+01    rms(broyden)= 0.15469E+01
  rms(prec ) = 0.18178E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0036
  1.0036

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -14143.11117441
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1743.04482833
  PAW double counting   =     27207.00422580   -28166.66931273
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -6032.30619632
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -461.37651700 eV

  energy without entropy =     -461.37651700  energy(sigma->0) =     -461.37651700


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   7)  ---------------------------------------


    POTLOK:  cpu time    0.1600: real time    0.1569
    SETDIJ:  cpu time    0.0080: real time    0.0076
     EDDAV:  cpu time  198.6324: real time  198.7229
 BZINTS: Fermi energy:  0.334931;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0880: real time    0.0904
    CHARGE:  cpu time    8.3245: real time    8.3285
    MIXING:  cpu time    0.0040: real time    0.0024
    --------------------------------------------
      LOOP:  cpu time  207.2170: real time  207.3335

 eigenvalue-minimisations  :114368
 total energy-change (2. order) : 0.5353621E+00  (-0.8536710E+00)
 number of electron     368.0000017 magnetization 
 augmentation part       39.7321461 magnetization 

 Broyden mixing:
  rms(total) = 0.92698E+00    rms(broyden)= 0.92697E+00
  rms(prec ) = 0.10859E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6100
  1.0926  2.1274

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -14186.23383065
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1746.35950374
  PAW double counting   =     35788.63811717   -36784.68490146
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5955.58115603
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -460.84115488 eV

  energy without entropy =     -460.84115488  energy(sigma->0) =     -460.84115488


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   8)  ---------------------------------------


    POTLOK:  cpu time    0.1560: real time    0.1565
    SETDIJ:  cpu time    0.0080: real time    0.0075
     EDDAV:  cpu time  227.0342: real time  227.1346
 BZINTS: Fermi energy:  0.548547;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0720: real time    0.0738
    CHARGE:  cpu time    8.3085: real time    8.3122
    MIXING:  cpu time    0.0040: real time    0.0025
    --------------------------------------------
      LOOP:  cpu time  235.5827: real time  235.7056

 eigenvalue-minimisations  :130240
 total energy-change (2. order) : 0.3438678E+00  (-0.2007195E+00)
 number of electron     368.0000017 magnetization 
 augmentation part       39.7336361 magnetization 

 Broyden mixing:
  rms(total) = 0.16675E+00    rms(broyden)= 0.16674E+00
  rms(prec ) = 0.24787E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4605
  2.3579  1.0118  1.0118

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -14220.16579083
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1749.02186798
  PAW double counting   =     50410.79073074   -51444.26837366
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5886.53683366
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -460.49728707 eV

  energy without entropy =     -460.49728707  energy(sigma->0) =     -460.49728707


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   9)  ---------------------------------------


    POTLOK:  cpu time    0.1560: real time    0.1563
    SETDIJ:  cpu time    0.0080: real time    0.0074
     EDDAV:  cpu time  221.5498: real time  221.6505
 BZINTS: Fermi energy:  0.570761;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0760: real time    0.0757
    CHARGE:  cpu time    8.2885: real time    8.2907
    MIXING:  cpu time    0.0040: real time    0.0026
    --------------------------------------------
      LOOP:  cpu time  230.0824: real time  230.2272

 eigenvalue-minimisations  :129664
 total energy-change (2. order) : 0.3760672E-01  (-0.2929395E-01)
 number of electron     368.0000017 magnetization 
 augmentation part       39.6605069 magnetization 

 Broyden mixing:
  rms(total) = 0.66473E-01    rms(broyden)= 0.66470E-01
  rms(prec ) = 0.92064E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4688
  2.3940  1.0077  1.0077  1.4660

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -14240.22176492
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1750.27025909
  PAW double counting   =     51606.67253472   -52644.21244112
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5863.62938047
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -460.45968036 eV

  energy without entropy =     -460.45968036  energy(sigma->0) =     -460.45968036


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  10)  ---------------------------------------


    POTLOK:  cpu time    0.1560: real time    0.1573
    SETDIJ:  cpu time    0.0080: real time    0.0075
     EDDAV:  cpu time  190.0119: real time  190.0958
 BZINTS: Fermi energy:  0.579455;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0720: real time    0.0740
    CHARGE:  cpu time    8.2965: real time    8.2999
    MIXING:  cpu time    0.0040: real time    0.0027
    --------------------------------------------
      LOOP:  cpu time  198.5484: real time  198.6791

 eigenvalue-minimisations  :108864
 total energy-change (2. order) :-0.1152691E-01  (-0.4096518E-02)
 number of electron     368.0000017 magnetization 
 augmentation part       39.6625711 magnetization 

 Broyden mixing:
  rms(total) = 0.27692E-01    rms(broyden)= 0.27690E-01
  rms(prec ) = 0.43018E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4430
  2.4854  1.7286  1.0046  1.0046  0.9918

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -14243.75439567
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1750.31256748
  PAW double counting   =     51571.85815574   -52609.41430055
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5860.13434662
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -460.47120727 eV

  energy without entropy =     -460.47120727  energy(sigma->0) =     -460.47120727


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  11)  ---------------------------------------


    POTLOK:  cpu time    0.1560: real time    0.1565
    SETDIJ:  cpu time    0.0080: real time    0.0077
     EDDAV:  cpu time  185.5676: real time  185.6524
 BZINTS: Fermi energy:  0.581803;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0760: real time    0.0745
    CHARGE:  cpu time    8.3565: real time    8.3611
    MIXING:  cpu time    0.0040: real time    0.0027
    --------------------------------------------
      LOOP:  cpu time  194.1681: real time  194.3016

 eigenvalue-minimisations  :108800
 total energy-change (2. order) :-0.3106807E-02  (-0.3588429E-03)
 number of electron     368.0000017 magnetization 
 augmentation part       39.6680735 magnetization 

 Broyden mixing:
  rms(total) = 0.13041E-01    rms(broyden)= 0.13041E-01
  rms(prec ) = 0.23181E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5415
  2.6352  2.2409  1.3770  0.9608  1.0176  1.0176

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -14246.64749014
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1750.38256678
  PAW double counting   =     51462.81320346   -52500.28025726
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5857.40344926
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -460.47431408 eV

  energy without entropy =     -460.47431408  energy(sigma->0) =     -460.47431408


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  12)  ---------------------------------------


    POTLOK:  cpu time    0.1560: real time    0.1568
    SETDIJ:  cpu time    0.0080: real time    0.0075
     EDDAV:  cpu time  187.6357: real time  187.7206
 BZINTS: Fermi energy:  0.584872;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0760: real time    0.0743
    CHARGE:  cpu time    8.3005: real time    8.3063
    MIXING:  cpu time    0.0040: real time    0.0027
    --------------------------------------------
      LOOP:  cpu time  196.1803: real time  196.3116

 eigenvalue-minimisations  :108800
 total energy-change (2. order) :-0.9026905E-03  (-0.2795558E-03)
 number of electron     368.0000017 magnetization 
 augmentation part       39.6695407 magnetization 

 Broyden mixing:
  rms(total) = 0.50626E-02    rms(broyden)= 0.50623E-02
  rms(prec ) = 0.87158E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5358
  2.8779  2.3916  1.3299  1.0310  1.0310  1.0444  1.0444

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -14250.52371335
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1750.48615439
  PAW double counting   =     51185.18929609   -52222.34024707
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5853.94781917
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -460.47521677 eV

  energy without entropy =     -460.47521677  energy(sigma->0) =     -460.47521677


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  13)  ---------------------------------------


    POTLOK:  cpu time    0.1600: real time    0.1579
    SETDIJ:  cpu time    0.0080: real time    0.0074
     EDDAV:  cpu time  183.7395: real time  183.8228
 BZINTS: Fermi energy:  0.579097;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0720: real time    0.0747
    CHARGE:  cpu time    8.3285: real time    8.3306
    MIXING:  cpu time    0.0040: real time    0.0029
    --------------------------------------------
      LOOP:  cpu time  192.3120: real time  192.4409

 eigenvalue-minimisations  :108800
 total energy-change (2. order) : 0.2711216E-04  (-0.6919509E-04)
 number of electron     368.0000017 magnetization 
 augmentation part       39.6702434 magnetization 

 Broyden mixing:
  rms(total) = 0.31164E-02    rms(broyden)= 0.31164E-02
  rms(prec ) = 0.47319E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5121
  3.0368  2.3982  1.5545  1.1235  1.1235  1.0471  1.0471  0.7663

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -14251.42359843
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1750.50674506
  PAW double counting   =     51130.83923504   -52167.93037591
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5853.12830775
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -460.47518965 eV

  energy without entropy =     -460.47518965  energy(sigma->0) =     -460.47518965


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  14)  ---------------------------------------


    POTLOK:  cpu time    0.1560: real time    0.1562
    SETDIJ:  cpu time    0.0080: real time    0.0073
     EDDAV:  cpu time  185.2516: real time  185.3375
 BZINTS: Fermi energy:  0.574099;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0760: real time    0.0739
    CHARGE:  cpu time    8.3205: real time    8.3261
    MIXING:  cpu time    0.0040: real time    0.0029
    --------------------------------------------
      LOOP:  cpu time  193.8161: real time  193.9463

 eigenvalue-minimisations  :108800
 total energy-change (2. order) : 0.1474314E-04  (-0.1312727E-04)
 number of electron     368.0000017 magnetization 
 augmentation part       39.6703580 magnetization 

 Broyden mixing:
  rms(total) = 0.19851E-02    rms(broyden)= 0.19851E-02
  rms(prec ) = 0.29442E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5696
  3.1707  2.4497  2.1192  1.1279  1.1279  1.2157  1.0213  1.0213  0.8727

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -14251.72866388
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1750.51521612
  PAW double counting   =     51132.14809737   -52169.26808545
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5852.80285143
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -460.47517491 eV

  energy without entropy =     -460.47517491  energy(sigma->0) =     -460.47517491


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  15)  ---------------------------------------


    POTLOK:  cpu time    0.1560: real time    0.1566
    SETDIJ:  cpu time    0.0080: real time    0.0075
     EDDAV:  cpu time  186.6677: real time  186.7514
 BZINTS: Fermi energy:  0.573228;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0760: real time    0.0743
    CHARGE:  cpu time    8.3165: real time    8.3206
    MIXING:  cpu time    0.0040: real time    0.0030
    --------------------------------------------
      LOOP:  cpu time  195.2282: real time  195.3620

 eigenvalue-minimisations  :108800
 total energy-change (2. order) : 0.7957300E-05  (-0.2936730E-05)
 number of electron     368.0000017 magnetization 
 augmentation part       39.6702938 magnetization 

 Broyden mixing:
  rms(total) = 0.73181E-03    rms(broyden)= 0.73175E-03
  rms(prec ) = 0.12401E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6053
  3.5055  2.7253  2.4349  1.3343  1.0667  1.0667  1.0372  1.0372  0.9227  0.9227

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -14251.85496092
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1750.51724820
  PAW double counting   =     51141.13856396   -52178.29674981
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5852.64038072
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -460.47516695 eV

  energy without entropy =     -460.47516695  energy(sigma->0) =     -460.47516695


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  16)  ---------------------------------------


    POTLOK:  cpu time    0.1560: real time    0.1562
    SETDIJ:  cpu time    0.0080: real time    0.0077
     EDDAV:  cpu time  185.6596: real time  185.7431
 BZINTS: Fermi energy:  0.572543;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0720: real time    0.0740
    CHARGE:  cpu time    8.3565: real time    8.3576
    MIXING:  cpu time    0.0040: real time    0.0031
    --------------------------------------------
      LOOP:  cpu time  194.2561: real time  194.3916

 eigenvalue-minimisations  :108800
 total energy-change (2. order) : 0.1270833E-05  (-0.1141904E-05)
 number of electron     368.0000017 magnetization 
 augmentation part       39.6705893 magnetization 

 Broyden mixing:
  rms(total) = 0.38328E-03    rms(broyden)= 0.38326E-03
  rms(prec ) = 0.56827E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6223
  3.5378  2.9086  2.4059  1.6003  1.0835  1.0835  1.2739  0.8745  1.0206  1.0281
  1.0281

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -14251.84044818
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1750.51367962
  PAW double counting   =     51151.77123261   -52188.95102918
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5852.62971290
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -460.47516568 eV

  energy without entropy =     -460.47516568  energy(sigma->0) =     -460.47516568


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  17)  ---------------------------------------


    POTLOK:  cpu time    0.1560: real time    0.1561
    SETDIJ:  cpu time    0.0080: real time    0.0073
     EDDAV:  cpu time  203.8167: real time  203.9089
 BZINTS: Fermi energy:  0.572069;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0760: real time    0.0752
    CHARGE:  cpu time    8.3525: real time    8.3560
    MIXING:  cpu time    0.0040: real time    0.0033
    --------------------------------------------
      LOOP:  cpu time  212.4133: real time  212.5683

 eigenvalue-minimisations  :118784
 total energy-change (2. order) :-0.1255612E-06  (-0.5451760E-06)
 number of electron     368.0000017 magnetization 
 augmentation part       39.6706336 magnetization 

 Broyden mixing:
  rms(total) = 0.29483E-03    rms(broyden)= 0.29481E-03
  rms(prec ) = 0.39013E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6351
  3.9287  2.9661  2.3899  2.0627  1.0245  1.0245  1.2746  1.0556  1.0556  1.0031
  1.0031  0.8327

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -14251.82154879
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1750.51264971
  PAW double counting   =     51151.96286276   -52189.14193609
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5852.64830574
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -460.47516581 eV

  energy without entropy =     -460.47516581  energy(sigma->0) =     -460.47516581


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  18)  ---------------------------------------


    POTLOK:  cpu time    0.1560: real time    0.1563
    SETDIJ:  cpu time    0.0080: real time    0.0074
     EDDAV:  cpu time  193.2241: real time  193.3113
 BZINTS: Fermi energy:  0.571847;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0720: real time    0.0737
    CHARGE:  cpu time    8.3285: real time    8.3287
    MIXING:  cpu time    0.0000: real time    0.0034
    --------------------------------------------
      LOOP:  cpu time  201.7886: real time  201.9312

 eigenvalue-minimisations  :112064
 total energy-change (2. order) : 0.2449451E-06  (-0.7989761E-07)
 number of electron     368.0000017 magnetization 
 augmentation part       39.6705781 magnetization 

 Broyden mixing:
  rms(total) = 0.12966E-03    rms(broyden)= 0.12965E-03
  rms(prec ) = 0.16635E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6243
  4.0146  2.9857  2.3545  2.1768  1.0442  1.0442  1.2932  1.2932  1.0367  1.0367
  0.8995  0.9683  0.9683

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -14251.82219658
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1750.51259952
  PAW double counting   =     51151.90090145   -52189.08159870
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5852.64598361
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -460.47516556 eV

  energy without entropy =     -460.47516556  energy(sigma->0) =     -460.47516556


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  19)  ---------------------------------------


    POTLOK:  cpu time    0.1560: real time    0.1574
    SETDIJ:  cpu time    0.0080: real time    0.0075
     EDDAV:  cpu time  192.1080: real time  192.1931
 BZINTS: Fermi energy:  0.571701;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0720: real time    0.0747
    CHARGE:  cpu time    8.3285: real time    8.3295
    MIXING:  cpu time    0.0000: real time    0.0036
    --------------------------------------------
      LOOP:  cpu time  200.6765: real time  200.8046

 eigenvalue-minimisations  :108800
 total energy-change (2. order) : 0.5614856E-07  (-0.1829897E-07)
 number of electron     368.0000017 magnetization 
 augmentation part       39.6705863 magnetization 

 Broyden mixing:
  rms(total) = 0.45218E-04    rms(broyden)= 0.45212E-04
  rms(prec ) = 0.61504E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6462
  4.1605  3.1383  2.4770  2.3662  1.6981  1.3303  1.0130  1.0130  1.0449  1.0449
  1.0076  1.0076  0.8728  0.8728

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -14251.81804579
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1750.51236997
  PAW double counting   =     51151.87238487   -52189.05266305
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5852.65032386
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -460.47516551 eV

  energy without entropy =     -460.47516551  energy(sigma->0) =     -460.47516551


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  20)  ---------------------------------------


    POTLOK:  cpu time    0.1560: real time    0.1584
    SETDIJ:  cpu time    0.0080: real time    0.0075
     EDDAV:  cpu time  188.6838: real time  188.7659
 BZINTS: Fermi energy:  0.571581;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0720: real time    0.0736
    CHARGE:  cpu time    8.3365: real time    8.3412
    MIXING:  cpu time    0.0040: real time    0.0039
    --------------------------------------------
      LOOP:  cpu time  197.2643: real time  197.3952

 eigenvalue-minimisations  :109376
 total energy-change (2. order) : 0.3394234E-07  (-0.2357501E-08)
 number of electron     368.0000017 magnetization 
 augmentation part       39.6705809 magnetization 

 Broyden mixing:
  rms(total) = 0.19203E-04    rms(broyden)= 0.19200E-04
  rms(prec ) = 0.25293E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6466
  4.2658  3.2300  2.6779  2.3208  1.8789  1.0132  1.0132  1.2235  1.0199  1.0199
  1.1303  1.0499  1.0499  0.9659  0.8404

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -14251.81911838
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1750.51248375
  PAW double counting   =     51151.73331961   -52188.91357137
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5852.64939143
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -460.47516547 eV

  energy without entropy =     -460.47516547  energy(sigma->0) =     -460.47516547


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  21)  ---------------------------------------


    POTLOK:  cpu time    0.2080: real time    0.2088
    SETDIJ:  cpu time    0.0080: real time    0.0074
     EDDAV:  cpu time  205.8569: real time  205.9513
 BZINTS: Fermi energy:  0.571485;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0760: real time    0.0742
    CHARGE:  cpu time    8.3325: real time    8.3380
    MIXING:  cpu time    0.0040: real time    0.0037
    --------------------------------------------
      LOOP:  cpu time  214.4894: real time  214.6707

 eigenvalue-minimisations  :121280
 total energy-change (2. order) : 0.8112693E-08  (-0.3682324E-09)
 number of electron     368.0000017 magnetization 
 augmentation part       39.6705808 magnetization 

 Broyden mixing:
  rms(total) = 0.95079E-05    rms(broyden)= 0.95077E-05
  rms(prec ) = 0.12271E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6424
  4.3261  3.3539  2.7465  2.3760  2.0122  1.0364  1.0364  1.2377  1.1644  1.1644
  1.0414  1.0414  0.9930  0.9930  0.8778  0.8778

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -14251.81921369
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1750.51250241
  PAW double counting   =     51151.65145077   -52188.83158467
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5852.64943263
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -460.47516547 eV

  energy without entropy =     -460.47516547  energy(sigma->0) =     -460.47516547


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  22)  ---------------------------------------


    POTLOK:  cpu time    0.1560: real time    0.1567
    SETDIJ:  cpu time    0.0080: real time    0.0074
     EDDAV:  cpu time  227.3342: real time  227.4328
 BZINTS: Fermi energy:  0.571425;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0720: real time    0.0743
    CHARGE:  cpu time    8.3045: real time    8.3092
    MIXING:  cpu time    0.0040: real time    0.0061
    --------------------------------------------
      LOOP:  cpu time  235.8787: real time  236.0199

 eigenvalue-minimisations  :129024
 total energy-change (2. order) :-0.1826265E-08  (-0.1825611E-09)
 number of electron     368.0000017 magnetization 
 augmentation part       39.6705804 magnetization 

 Broyden mixing:
  rms(total) = 0.30524E-05    rms(broyden)= 0.30520E-05
  rms(prec ) = 0.40613E-05
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6252
  4.3647  3.3466  2.7726  2.3986  2.0338  1.3256  1.2557  1.2557  1.0373  1.0373
  1.0238  1.0238  1.0302  1.0302  0.8983  0.8972  0.8972

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -14251.81934898
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1750.51252092
  PAW double counting   =     51151.56436746   -52188.74431554
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5852.64950168
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -460.47516547 eV

  energy without entropy =     -460.47516547  energy(sigma->0) =     -460.47516547


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  23)  ---------------------------------------


    POTLOK:  cpu time    0.1560: real time    0.1572
    SETDIJ:  cpu time    0.0080: real time    0.0077
     EDDAV:  cpu time  246.5394: real time  246.6476
 BZINTS: Fermi energy:  0.571380;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0720: real time    0.0748
    CHARGE:  cpu time    8.2965: real time    8.2972
    MIXING:  cpu time    0.0040: real time    0.0040
    --------------------------------------------
      LOOP:  cpu time  255.0799: real time  255.2648

 eigenvalue-minimisations  :130048
 total energy-change (2. order) :-0.1287844E-08  (-0.5585893E-10)
 number of electron     368.0000017 magnetization 
 augmentation part       39.6705807 magnetization 

 Broyden mixing:
  rms(total) = 0.13940E-05    rms(broyden)= 0.13940E-05
  rms(prec ) = 0.18671E-05
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6349
  4.3872  3.3991  2.8131  2.4044  2.0614  1.8860  1.0396  1.0396  1.3247  1.0292
  1.0292  1.1203  1.1203  1.0395  1.0395  0.8592  0.9178  0.9178

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -14251.81939311
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1750.51252219
  PAW double counting   =     51151.54826633   -52188.72816717
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5852.64950606
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -460.47516547 eV

  energy without entropy =     -460.47516547  energy(sigma->0) =     -460.47516547


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  24)  ---------------------------------------


    POTLOK:  cpu time    0.1560: real time    0.1575
    SETDIJ:  cpu time    0.0080: real time    0.0075
     EDDAV:  cpu time  264.4525: real time  264.5678
 BZINTS: Fermi energy:  0.571339;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0760: real time    0.0747
    CHARGE:  cpu time    8.3045: real time    8.3108
    MIXING:  cpu time    0.0040: real time    0.0043
    --------------------------------------------
      LOOP:  cpu time  273.0011: real time  273.1800

 eigenvalue-minimisations  :129920
 total energy-change (2. order) :-0.6693881E-09  (-0.4853635E-10)
 number of electron     368.0000017 magnetization 
 augmentation part       39.6705808 magnetization 

 Broyden mixing:
  rms(total) = 0.69606E-06    rms(broyden)= 0.69600E-06
  rms(prec ) = 0.90594E-06
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6374
  4.3747  3.4561  2.8922  2.5576  2.3341  1.8970  1.0334  1.0334  1.2362  1.2362
  1.0254  1.0254  1.1258  1.1258  1.0537  1.0537  0.8678  0.8912  0.8912

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -14251.81949607
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1750.51252856
  PAW double counting   =     51151.54459077   -52188.72446988
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5852.64943119
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -460.47516547 eV

  energy without entropy =     -460.47516547  energy(sigma->0) =     -460.47516547


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  25)  ---------------------------------------


    POTLOK:  cpu time    0.1560: real time    0.1575
    SETDIJ:  cpu time    0.0080: real time    0.0077
     EDDAV:  cpu time  241.8631: real time  241.9696
 BZINTS: Fermi energy:  0.571304;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0720: real time    0.0738
    CHARGE:  cpu time    8.3205: real time    8.3218
    MIXING:  cpu time    0.0040: real time    0.0043
    --------------------------------------------
      LOOP:  cpu time  250.4277: real time  250.5892

 eigenvalue-minimisations  :115520
 total energy-change (2. order) :-0.4947651E-09  (-0.4425747E-10)
 number of electron     368.0000017 magnetization 
 augmentation part       39.6705808 magnetization 

 Broyden mixing:
  rms(total) = 0.31582E-06    rms(broyden)= 0.31581E-06
  rms(prec ) = 0.39281E-06
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6298
  4.3826  3.4464  2.9542  2.5906  2.3902  1.9587  1.3687  1.3687  1.0312  1.0312
  1.0280  1.0280  1.0493  1.0493  1.0695  1.0695  1.0746  0.8661  0.9197  0.9197

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -14251.81953763
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1750.51253041
  PAW double counting   =     51151.54531809   -52188.72519398
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5852.64939471
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -460.47516547 eV

  energy without entropy =     -460.47516547  energy(sigma->0) =     -460.47516547


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  26)  ---------------------------------------


    POTLOK:  cpu time    0.5840: real time    0.5836
    SETDIJ:  cpu time    0.0080: real time    0.0075
     EDDAV:  cpu time  214.0014: real time  214.0981
 BZINTS: Fermi energy:  0.571272;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
       DOS:  cpu time    0.0760: real time    0.0750
    --------------------------------------------
      LOOP:  cpu time  214.6694: real time  214.9411

 eigenvalue-minimisations  :108736
 total energy-change (2. order) : 0.0000000E+00  (-0.4341644E-10)
 number of electron     368.0000017 magnetization 
 augmentation part       39.6705808 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       739.10271252
  Ewald energy   TEWEN  =    -16085.00718408
  -Hartree energ DENC   =    -14251.81953965
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1750.51253047
  PAW double counting   =     51151.54775869   -52188.72763870
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5852.64938863
  atomic energy  EATOM  =     34276.56558390
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -460.47516547 eV

  energy without entropy =     -460.47516547  energy(sigma->0) =     -460.47516547


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.4325  0.5770  0.5955  0.7298
  (the norm of the test charge is              1.0000)
       1 -40.7793       2 -40.3569       3 -41.4197       4 -40.1023       5 -40.6699
       6 -40.7793       7 -40.3588       8 -41.4191       9 -40.1033      10 -40.6699
      11 -40.7794      12 -40.3566      13 -41.4197      14 -40.1025      15 -40.6700
      16 -40.7792      17 -40.3581      18 -41.4192      19 -40.1029      20 -40.6698
      21 -83.2712      22 -83.6703      23 -83.2723      24 -83.6701      25 -83.2716
      26 -83.6705      27 -83.2717      28 -83.6701      29-112.1406      30-113.7026
      31-113.1166      32-112.5172      33-112.4657      34-112.7680      35-112.9697
      36-112.9384      37-112.8908      38-112.1406      39-113.7032      40-113.1164
      41-112.5187      42-112.4664      43-112.7683      44-112.9694      45-112.9383
      46-112.8905      47-112.1405      48-113.7026      49-113.1168      50-112.5182
      51-112.4657      52-112.7680      53-112.9697      54-112.9386      55-112.8908
      56-112.1407      57-113.7031      58-113.1167      59-112.5187      60-112.4656
      61-112.7679      62-112.9696      63-112.9383      64-112.8905      65 -46.2910
      66 -46.4581      67 -46.2908      68 -46.4576      69 -46.2911      70 -46.4579
      71 -46.2905      72 -46.4583      73 -45.7551      74 -45.7554
 
 
 
 E-fermi :   0.5713     XC(G=0):  -9.0486     alpha+bet : -8.3109


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0262      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2835      2.00000
     42     -21.1828      2.00000
     43     -21.1824      2.00000
     44     -21.1740      2.00000
     45     -20.9703      2.00000
     46     -20.9352      2.00000
     47     -20.9041      2.00000
     48     -20.8829      2.00000
     49     -19.3215      2.00000
     50     -19.2986      2.00000
     51     -19.2960      2.00000
     52     -19.2670      2.00000
     53     -18.7206      2.00000
     54     -18.6675      2.00000
     55     -18.6650      2.00000
     56     -18.6413      2.00000
     57     -18.2885      2.00000
     58     -18.2084      2.00000
     59     -18.1991      2.00000
     60     -18.1624      2.00000
     61     -18.1159      2.00000
     62     -18.1052      2.00000
     63     -18.0717      2.00000
     64     -18.0209      2.00000
     65     -17.9030      2.00000
     66     -17.8941      2.00000
     67     -17.8719      2.00000
     68     -17.8518      2.00000
     69     -17.8074      2.00000
     70     -17.7262      2.00000
     71     -17.6824      2.00000
     72     -17.6279      2.00000
     73     -17.3279      2.00000
     74     -17.3167      2.00000
     75     -17.2821      2.00000
     76     -17.2696      2.00000
     77      -8.2845      2.00000
     78      -7.8746      2.00000
     79      -7.8099      2.00000
     80      -7.6825      2.00000
     81      -7.5570      2.00000
     82      -7.4008      2.00000
     83      -7.3403      2.00000
     84      -7.2918      2.00000
     85      -7.1576      2.00000
     86      -7.0758      2.00000
     87      -7.0689      2.00000
     88      -7.0479      2.00000
     89      -6.6631      2.00000
     90      -6.5439      2.00000
     91      -6.5080      2.00000
     92      -6.5014      2.00000
     93      -6.4889      2.00000
     94      -6.2486      2.00000
     95      -6.1228      2.00000
     96      -6.0293      2.00000
     97      -5.9130      2.00000
     98      -5.8649      2.00000
     99      -5.7709      2.00000
    100      -5.6762      2.00000
    101      -5.6714      2.00000
    102      -5.6058      2.00000
    103      -5.4724      2.00000
    104      -5.4310      2.00000
    105      -5.3358      2.00000
    106      -5.2923      2.00000
    107      -5.2923      2.00000
    108      -5.2237      2.00000
    109      -5.2202      2.00000
    110      -5.1461      2.00000
    111      -5.0365      2.00000
    112      -4.9550      2.00000
    113      -4.8243      2.00000
    114      -4.6831      2.00000
    115      -4.6503      2.00000
    116      -4.6270      2.00000
    117      -4.6092      2.00000
    118      -4.4866      2.00000
    119      -4.4667      2.00000
    120      -4.4202      2.00000
    121      -4.2521      2.00000
    122      -4.1165      2.00000
    123      -3.9641      2.00000
    124      -3.7031      2.00000
    125      -3.6865      2.00000
    126      -3.6109      2.00000
    127      -3.5862      2.00000
    128      -3.5731      2.00000
    129      -2.8355      2.00000
    130      -2.5800      2.00000
    131      -2.5584      2.00000
    132      -2.5325      2.00000
    133      -2.4499      2.00000
    134      -2.4456      2.00000
    135      -2.3052      2.00000
    136      -2.1979      2.00000
    137      -1.8526      2.00000
    138      -1.8497      2.00000
    139      -1.8379      2.00000
    140      -1.7814      2.00000
    141      -1.7723      2.00000
    142      -1.7223      2.00000
    143      -1.6737      2.00000
    144      -1.6025      2.00000
    145      -1.5796      2.00000
    146      -1.4781      2.00000
    147      -1.4627      2.00000
    148      -1.3718      2.00000
    149      -1.3316      2.00000
    150      -1.2919      2.00000
    151      -1.2607      2.00000
    152      -1.2411      2.00000
    153      -1.2169      2.00000
    154      -1.1826      2.00000
    155      -1.1078      2.00000
    156      -1.1022      2.00000
    157      -1.0956      2.00000
    158      -1.0639      2.00000
    159      -0.8944      2.00000
    160      -0.8904      2.00000
    161      -0.8565      2.00000
    162      -0.8172      2.00000
    163      -0.7897      2.00000
    164      -0.7808      2.00000
    165      -0.7554      2.00000
    166      -0.7527      2.00000
    167      -0.7043      2.00000
    168      -0.6792      2.00000
    169      -0.6315      2.00000
    170      -0.6289      2.00000
    171      -0.5787      2.00000
    172      -0.5132      2.00000
    173      -0.4895      2.00000
    174      -0.4821      2.00000
    175      -0.4744      2.00000
    176      -0.3046      2.00000
    177      -0.1311      2.00000
    178      -0.0060      2.00000
    179       0.1869      2.00000
    180       0.2099      2.00000
    181       0.2556      2.00000
    182       0.3682      2.00000
    183       0.4394      2.00000
    184       0.5130      2.00000
    185       5.0164      0.00000
    186       5.7564      0.00000
    187       5.9434      0.00000
    188       6.0664      0.00000
    189       6.1546      0.00000
    190       6.2135      0.00000
    191       6.5133      0.00000
    192       6.5427      0.00000
    193       6.6301      0.00000
    194       6.9666      0.00000
    195       7.2499      0.00000
    196       7.4945      0.00000
    197       7.5222      0.00000
    198       7.5479      0.00000
    199       7.6402      0.00000
    200       8.2773      0.00000
    201       8.2953      0.00000
    202       8.6059      0.00000
    203       8.7429      0.00000
    204       8.8878      0.00000
    205       9.4147      0.00000
    206       9.4184      0.00000
    207       9.4676      0.00000
    208       9.5221      0.00000
    209       9.5827      0.00000
    210       9.7615      0.00000
    211       9.8116      0.00000
    212       9.9092      0.00000
    213      10.2940      0.00000
    214      10.3015      0.00000
    215      10.3069      0.00000
    216      10.4931      0.00000
    217      10.7394      0.00000
    218      11.0702      0.00000
    219      11.0805      0.00000
    220      11.1403      0.00000
    221      11.1892      0.00000
    222      11.2064      0.00000
    223      11.2445      0.00000
    224      11.2504      0.00000
    225      11.2601      0.00000
    226      11.3829      0.00000
    227      11.5953      0.00000
    228      11.6303      0.00000
    229      11.6463      0.00000
    230      11.6717      0.00000
    231      11.7264      0.00000
    232      11.8048      0.00000
    233      11.8110      0.00000
    234      11.8814      0.00000
    235      11.9543      0.00000
    236      11.9907      0.00000
    237      12.0846      0.00000
    238      12.0899      0.00000
    239      12.2334      0.00000
    240      12.3402      0.00000
    241      12.3617      0.00000
    242      12.4634      0.00000
    243      12.5533      0.00000
    244      12.6157      0.00000
    245      12.6592      0.00000
    246      12.7764      0.00000
    247      12.8195      0.00000
    248      12.8521      0.00000
    249      12.9186      0.00000
    250      12.9305      0.00000
    251      12.9386      0.00000
    252      13.0452      0.00000
    253      13.1102      0.00000
    254      13.2572      0.00000
    255      13.3091      0.00000
    256      13.4287      0.00000

 k-point     2 :       0.1667    0.0000   -0.0000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2825      2.00000
     42     -21.1828      2.00000
     43     -21.1825      2.00000
     44     -21.1740      2.00000
     45     -20.9713      2.00000
     46     -20.9353      2.00000
     47     -20.9045      2.00000
     48     -20.8829      2.00000
     49     -19.3206      2.00000
     50     -19.2984      2.00000
     51     -19.2941      2.00000
     52     -19.2683      2.00000
     53     -18.7170      2.00000
     54     -18.6697      2.00000
     55     -18.6674      2.00000
     56     -18.6384      2.00000
     57     -18.2886      2.00000
     58     -18.2081      2.00000
     59     -18.2052      2.00000
     60     -18.1626      2.00000
     61     -18.1172      2.00000
     62     -18.1054      2.00000
     63     -18.0714      2.00000
     64     -18.0208      2.00000
     65     -17.9030      2.00000
     66     -17.8933      2.00000
     67     -17.8696      2.00000
     68     -17.8524      2.00000
     69     -17.8065      2.00000
     70     -17.7261      2.00000
     71     -17.6823      2.00000
     72     -17.6281      2.00000
     73     -17.3246      2.00000
     74     -17.3134      2.00000
     75     -17.2849      2.00000
     76     -17.2726      2.00000
     77      -8.2937      2.00000
     78      -7.8760      2.00000
     79      -7.8118      2.00000
     80      -7.6775      2.00000
     81      -7.5221      2.00000
     82      -7.4080      2.00000
     83      -7.3402      2.00000
     84      -7.2850      2.00000
     85      -7.1551      2.00000
     86      -7.0940      2.00000
     87      -7.0741      2.00000
     88      -7.0337      2.00000
     89      -6.6659      2.00000
     90      -6.5462      2.00000
     91      -6.5420      2.00000
     92      -6.5068      2.00000
     93      -6.4787      2.00000
     94      -6.2527      2.00000
     95      -6.1220      2.00000
     96      -6.0320      2.00000
     97      -5.9354      2.00000
     98      -5.8780      2.00000
     99      -5.7616      2.00000
    100      -5.6558      2.00000
    101      -5.6539      2.00000
    102      -5.5761      2.00000
    103      -5.4676      2.00000
    104      -5.4558      2.00000
    105      -5.3310      2.00000
    106      -5.3058      2.00000
    107      -5.2690      2.00000
    108      -5.2461      2.00000
    109      -5.1874      2.00000
    110      -5.1251      2.00000
    111      -5.0498      2.00000
    112      -4.9644      2.00000
    113      -4.8394      2.00000
    114      -4.7238      2.00000
    115      -4.6980      2.00000
    116      -4.6247      2.00000
    117      -4.5550      2.00000
    118      -4.5117      2.00000
    119      -4.4836      2.00000
    120      -4.3787      2.00000
    121      -4.2411      2.00000
    122      -4.1208      2.00000
    123      -3.9444      2.00000
    124      -3.7177      2.00000
    125      -3.6742      2.00000
    126      -3.6200      2.00000
    127      -3.5955      2.00000
    128      -3.5470      2.00000
    129      -2.8157      2.00000
    130      -2.6549      2.00000
    131      -2.5405      2.00000
    132      -2.4932      2.00000
    133      -2.4602      2.00000
    134      -2.4260      2.00000
    135      -2.2937      2.00000
    136      -2.1897      2.00000
    137      -1.8970      2.00000
    138      -1.8936      2.00000
    139      -1.8164      2.00000
    140      -1.7865      2.00000
    141      -1.7659      2.00000
    142      -1.7164      2.00000
    143      -1.6922      2.00000
    144      -1.5973      2.00000
    145      -1.5351      2.00000
    146      -1.5033      2.00000
    147      -1.4348      2.00000
    148      -1.3411      2.00000
    149      -1.3319      2.00000
    150      -1.3159      2.00000
    151      -1.2495      2.00000
    152      -1.2316      2.00000
    153      -1.2131      2.00000
    154      -1.1618      2.00000
    155      -1.1182      2.00000
    156      -1.1119      2.00000
    157      -1.1013      2.00000
    158      -1.0563      2.00000
    159      -0.9641      2.00000
    160      -0.9158      2.00000
    161      -0.8547      2.00000
    162      -0.7929      2.00000
    163      -0.7793      2.00000
    164      -0.7775      2.00000
    165      -0.7542      2.00000
    166      -0.7502      2.00000
    167      -0.7318      2.00000
    168      -0.6677      2.00000
    169      -0.6606      2.00000
    170      -0.5910      2.00000
    171      -0.5782      2.00000
    172      -0.5230      2.00000
    173      -0.5085      2.00000
    174      -0.4767      2.00000
    175      -0.4488      2.00000
    176      -0.3085      2.00000
    177      -0.1295      2.00000
    178      -0.0071      2.00000
    179       0.1798      2.00000
    180       0.2078      2.00000
    181       0.2556      2.00000
    182       0.3743      2.00000
    183       0.4479      2.00000
    184       0.5171      2.00000
    185       5.0824      0.00000
    186       5.7566      0.00000
    187       5.8932      0.00000
    188       6.0960      0.00000
    189       6.1547      0.00000
    190       6.2059      0.00000
    191       6.4163      0.00000
    192       6.5326      0.00000
    193       6.6235      0.00000
    194       6.9650      0.00000
    195       7.2565      0.00000
    196       7.3102      0.00000
    197       7.5489      0.00000
    198       7.6648      0.00000
    199       7.7956      0.00000
    200       8.1469      0.00000
    201       8.4361      0.00000
    202       8.4799      0.00000
    203       8.7830      0.00000
    204       8.8947      0.00000
    205       9.3614      0.00000
    206       9.3904      0.00000
    207       9.5253      0.00000
    208       9.6093      0.00000
    209       9.6632      0.00000
    210       9.8205      0.00000
    211       9.8940      0.00000
    212       9.9518      0.00000
    213      10.2148      0.00000
    214      10.2635      0.00000
    215      10.3163      0.00000
    216      10.5648      0.00000
    217      10.7702      0.00000
    218      10.7722      0.00000
    219      11.0324      0.00000
    220      11.0505      0.00000
    221      11.1022      0.00000
    222      11.1539      0.00000
    223      11.1950      0.00000
    224      11.2112      0.00000
    225      11.2926      0.00000
    226      11.4116      0.00000
    227      11.5001      0.00000
    228      11.6115      0.00000
    229      11.6628      0.00000
    230      11.6901      0.00000
    231      11.8039      0.00000
    232      11.8189      0.00000
    233      11.8439      0.00000
    234      11.8507      0.00000
    235      12.0400      0.00000
    236      12.0950      0.00000
    237      12.1455      0.00000
    238      12.1527      0.00000
    239      12.2375      0.00000
    240      12.3667      0.00000
    241      12.3842      0.00000
    242      12.4540      0.00000
    243      12.5491      0.00000
    244      12.6142      0.00000
    245      12.7349      0.00000
    246      12.7601      0.00000
    247      12.7933      0.00000
    248      12.8321      0.00000
    249      12.8627      0.00000
    250      12.9860      0.00000
    251      13.0041      0.00000
    252      13.0465      0.00000
    253      13.1237      0.00000
    254      13.2297      0.00000
    255      13.2722      0.00000
    256      13.4016      0.00000

 k-point     3 :       0.3333    0.0000   -0.0000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2806      2.00000
     42     -21.1828      2.00000
     43     -21.1827      2.00000
     44     -21.1740      2.00000
     45     -20.9732      2.00000
     46     -20.9354      2.00000
     47     -20.9053      2.00000
     48     -20.8829      2.00000
     49     -19.3186      2.00000
     50     -19.2982      2.00000
     51     -19.2896      2.00000
     52     -19.2718      2.00000
     53     -18.7083      2.00000
     54     -18.6755      2.00000
     55     -18.6712      2.00000
     56     -18.6338      2.00000
     57     -18.2890      2.00000
     58     -18.2169      2.00000
     59     -18.2074      2.00000
     60     -18.1629      2.00000
     61     -18.1199      2.00000
     62     -18.1058      2.00000
     63     -18.0713      2.00000
     64     -18.0204      2.00000
     65     -17.9032      2.00000
     66     -17.8917      2.00000
     67     -17.8652      2.00000
     68     -17.8537      2.00000
     69     -17.8047      2.00000
     70     -17.7258      2.00000
     71     -17.6819      2.00000
     72     -17.6283      2.00000
     73     -17.3158      2.00000
     74     -17.3045      2.00000
     75     -17.2926      2.00000
     76     -17.2809      2.00000
     77      -8.3107      2.00000
     78      -7.8787      2.00000
     79      -7.8153      2.00000
     80      -7.6676      2.00000
     81      -7.4408      2.00000
     82      -7.4219      2.00000
     83      -7.3401      2.00000
     84      -7.2770      2.00000
     85      -7.1500      2.00000
     86      -7.1276      2.00000
     87      -7.0711      2.00000
     88      -7.0279      2.00000
     89      -6.6763      2.00000
     90      -6.5933      2.00000
     91      -6.5432      2.00000
     92      -6.5129      2.00000
     93      -6.4845      2.00000
     94      -6.2592      2.00000
     95      -6.1200      2.00000
     96      -6.0372      2.00000
     97      -5.9674      2.00000
     98      -5.9034      2.00000
     99      -5.7348      2.00000
    100      -5.6306      2.00000
    101      -5.6271      2.00000
    102      -5.5180      2.00000
    103      -5.4995      2.00000
    104      -5.4239      2.00000
    105      -5.3725      2.00000
    106      -5.3048      2.00000
    107      -5.2849      2.00000
    108      -5.1835      2.00000
    109      -5.1508      2.00000
    110      -5.0910      2.00000
    111      -5.0785      2.00000
    112      -4.9995      2.00000
    113      -4.8724      2.00000
    114      -4.8024      2.00000
    115      -4.7280      2.00000
    116      -4.6166      2.00000
    117      -4.5610      2.00000
    118      -4.5320      2.00000
    119      -4.4635      2.00000
    120      -4.3388      2.00000
    121      -4.2134      2.00000
    122      -4.1345      2.00000
    123      -3.8960      2.00000
    124      -3.7454      2.00000
    125      -3.6610      2.00000
    126      -3.6377      2.00000
    127      -3.5974      2.00000
    128      -3.5117      2.00000
    129      -2.7620      2.00000
    130      -2.7231      2.00000
    131      -2.5762      2.00000
    132      -2.4865      2.00000
    133      -2.4443      2.00000
    134      -2.3578      2.00000
    135      -2.2712      2.00000
    136      -2.1719      2.00000
    137      -2.0226      2.00000
    138      -1.9111      2.00000
    139      -1.8278      2.00000
    140      -1.7669      2.00000
    141      -1.7623      2.00000
    142      -1.7198      2.00000
    143      -1.7031      2.00000
    144      -1.5659      2.00000
    145      -1.5525      2.00000
    146      -1.4698      2.00000
    147      -1.4073      2.00000
    148      -1.3340      2.00000
    149      -1.3290      2.00000
    150      -1.2823      2.00000
    151      -1.2406      2.00000
    152      -1.2164      2.00000
    153      -1.1772      2.00000
    154      -1.1486      2.00000
    155      -1.1434      2.00000
    156      -1.1223      2.00000
    157      -1.0980      2.00000
    158      -1.0524      2.00000
    159      -1.0496      2.00000
    160      -0.9722      2.00000
    161      -0.8480      2.00000
    162      -0.8130      2.00000
    163      -0.7985      2.00000
    164      -0.7708      2.00000
    165      -0.7627      2.00000
    166      -0.7602      2.00000
    167      -0.7170      2.00000
    168      -0.6525      2.00000
    169      -0.6518      2.00000
    170      -0.5897      2.00000
    171      -0.5614      2.00000
    172      -0.5567      2.00000
    173      -0.5373      2.00000
    174      -0.4445      2.00000
    175      -0.4317      2.00000
    176      -0.3083      2.00000
    177      -0.1261      2.00000
    178      -0.0092      2.00000
    179       0.1668      2.00000
    180       0.2042      2.00000
    181       0.2581      2.00000
    182       0.3849      2.00000
    183       0.4628      2.00000
    184       0.5254      2.00000
    185       5.2536      0.00000
    186       5.7533      0.00000
    187       5.8206      0.00000
    188       6.1335      0.00000
    189       6.1403      0.00000
    190       6.1785      0.00000
    191       6.1880      0.00000
    192       6.5133      0.00000
    193       6.6170      0.00000
    194       6.9636      0.00000
    195       7.2654      0.00000
    196       7.2810      0.00000
    197       7.6073      0.00000
    198       7.7796      0.00000
    199       7.7894      0.00000
    200       8.0655      0.00000
    201       8.4986      0.00000
    202       8.5921      0.00000
    203       8.6057      0.00000
    204       8.9296      0.00000
    205       9.3544      0.00000
    206       9.5053      0.00000
    207       9.6373      0.00000
    208       9.7010      0.00000
    209       9.7717      0.00000
    210       9.8468      0.00000
    211       9.9757      0.00000
    212      10.0739      0.00000
    213      10.1247      0.00000
    214      10.2524      0.00000
    215      10.2627      0.00000
    216      10.6201      0.00000
    217      10.6577      0.00000
    218      10.7721      0.00000
    219      10.8733      0.00000
    220      10.8850      0.00000
    221      10.9345      0.00000
    222      11.0587      0.00000
    223      11.0920      0.00000
    224      11.1314      0.00000
    225      11.2015      0.00000
    226      11.4138      0.00000
    227      11.4455      0.00000
    228      11.4932      0.00000
    229      11.6627      0.00000
    230      11.7508      0.00000
    231      11.8032      0.00000
    232      11.8952      0.00000
    233      11.9376      0.00000
    234      11.9466      0.00000
    235      12.0488      0.00000
    236      12.1497      0.00000
    237      12.2020      0.00000
    238      12.2610      0.00000
    239      12.2974      0.00000
    240      12.3871      0.00000
    241      12.4219      0.00000
    242      12.4467      0.00000
    243      12.4636      0.00000
    244      12.6748      0.00000
    245      12.7158      0.00000
    246      12.7823      0.00000
    247      12.8602      0.00000
    248      12.9409      0.00000
    249      12.9572      0.00000
    250      13.0219      0.00000
    251      13.0650      0.00000
    252      13.1472      0.00000
    253      13.1642      0.00000
    254      13.1961      0.00000
    255      13.2708      0.00000
    256      13.3452      0.00000

 k-point     4 :       0.5000    0.0000   -0.0000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2796      2.00000
     42     -21.1828      2.00000
     43     -21.1828      2.00000
     44     -21.1741      2.00000
     45     -20.9741      2.00000
     46     -20.9355      2.00000
     47     -20.9057      2.00000
     48     -20.8829      2.00000
     49     -19.3177      2.00000
     50     -19.2981      2.00000
     51     -19.2864      2.00000
     52     -19.2745      2.00000
     53     -18.7022      2.00000
     54     -18.6801      2.00000
     55     -18.6727      2.00000
     56     -18.6318      2.00000
     57     -18.2892      2.00000
     58     -18.2225      2.00000
     59     -18.2070      2.00000
     60     -18.1630      2.00000
     61     -18.1212      2.00000
     62     -18.1061      2.00000
     63     -18.0715      2.00000
     64     -18.0202      2.00000
     65     -17.9033      2.00000
     66     -17.8908      2.00000
     67     -17.8631      2.00000
     68     -17.8543      2.00000
     69     -17.8038      2.00000
     70     -17.7256      2.00000
     71     -17.6818      2.00000
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 k-point     5 :       0.0000    0.1429   -0.0000
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
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      6     -72.2767      2.00000
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     10     -71.7455      2.00000
     11     -39.2154      2.00000
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     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2796      2.00000
     42     -21.1932      2.00000
     43     -21.1813      2.00000
     44     -21.1688      2.00000
     45     -20.9672      2.00000
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     48     -20.8856      2.00000
     49     -19.3209      2.00000
     50     -19.3001      2.00000
     51     -19.2940      2.00000
     52     -19.2680      2.00000
     53     -18.7177      2.00000
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     55     -18.6637      2.00000
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     59     -18.1970      2.00000
     60     -18.1674      2.00000
     61     -18.1247      2.00000
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     63     -18.0680      2.00000
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     65     -17.9019      2.00000
     66     -17.8933      2.00000
     67     -17.8710      2.00000
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     69     -17.8043      2.00000
     70     -17.7205      2.00000
     71     -17.6906      2.00000
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    256      13.3844      0.00000

 k-point     6 :       0.1667    0.1429   -0.0000
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
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      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2787      2.00000
     42     -21.1932      2.00000
     43     -21.1813      2.00000
     44     -21.1689      2.00000
     45     -20.9681      2.00000
     46     -20.9328      2.00000
     47     -20.9079      2.00000
     48     -20.8856      2.00000
     49     -19.3199      2.00000
     50     -19.2999      2.00000
     51     -19.2923      2.00000
     52     -19.2692      2.00000
     53     -18.7144      2.00000
     54     -18.6722      2.00000
     55     -18.6654      2.00000
     56     -18.6399      2.00000
     57     -18.2818      2.00000
     58     -18.2033      2.00000
     59     -18.2022      2.00000
     60     -18.1679      2.00000
     61     -18.1259      2.00000
     62     -18.1087      2.00000
     63     -18.0676      2.00000
     64     -18.0226      2.00000
     65     -17.9021      2.00000
     66     -17.8928      2.00000
     67     -17.8687      2.00000
     68     -17.8524      2.00000
     69     -17.8037      2.00000
     70     -17.7204      2.00000
     71     -17.6903      2.00000
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     89      -6.6596      2.00000
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 k-point     7 :       0.3333    0.1429   -0.0000
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     22     -39.1838      2.00000
     23     -39.0468      2.00000
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     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
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     35     -38.5350      2.00000
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     37     -38.5041      2.00000
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     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2769      2.00000
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     44     -21.1690      2.00000
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 k-point     8 :       0.5000    0.1429   -0.0000
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     11     -39.2154      2.00000
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     27     -39.0333      2.00000
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     31     -39.0274      2.00000
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    230      11.6034      0.00000
    231      11.8197      0.00000
    232      11.8833      0.00000
    233      11.9559      0.00000
    234      12.0508      0.00000
    235      12.0888      0.00000
    236      12.1618      0.00000
    237      12.1917      0.00000
    238      12.2773      0.00000
    239      12.3004      0.00000
    240      12.3463      0.00000
    241      12.4547      0.00000
    242      12.4880      0.00000
    243      12.5279      0.00000
    244      12.5688      0.00000
    245      12.6838      0.00000
    246      12.8650      0.00000
    247      12.9387      0.00000
    248      12.9682      0.00000
    249      13.0506      0.00000
    250      13.0544      0.00000
    251      13.1129      0.00000
    252      13.1217      0.00000
    253      13.1774      0.00000
    254      13.2843      0.00000
    255      13.2864      0.00000
    256      13.3722      0.00000

 k-point     9 :      -0.3333    0.1429    0.0000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2769      2.00000
     42     -21.1931      2.00000
     43     -21.1814      2.00000
     44     -21.1690      2.00000
     45     -20.9700      2.00000
     46     -20.9329      2.00000
     47     -20.9088      2.00000
     48     -20.8856      2.00000
     49     -19.3180      2.00000
     50     -19.2997      2.00000
     51     -19.2882      2.00000
     52     -19.2722      2.00000
     53     -18.7062      2.00000
     54     -18.6771      2.00000
     55     -18.6689      2.00000
     56     -18.6358      2.00000
     57     -18.2823      2.00000
     58     -18.2142      2.00000
     59     -18.2018      2.00000
     60     -18.1689      2.00000
     61     -18.1285      2.00000
     62     -18.1089      2.00000
     63     -18.0675      2.00000
     64     -18.0222      2.00000
     65     -17.9025      2.00000
     66     -17.8919      2.00000
     67     -17.8642      2.00000
     68     -17.8523      2.00000
     69     -17.8023      2.00000
     70     -17.7201      2.00000
     71     -17.6898      2.00000
     72     -17.6328      2.00000
     73     -17.3138      2.00000
     74     -17.3031      2.00000
     75     -17.2933      2.00000
     76     -17.2818      2.00000
     77      -8.2924      2.00000
     78      -7.8898      2.00000
     79      -7.8176      2.00000
     80      -7.6547      2.00000
     81      -7.4714      2.00000
     82      -7.3978      2.00000
     83      -7.3557      2.00000
     84      -7.2705      2.00000
     85      -7.1464      2.00000
     86      -7.1192      2.00000
     87      -7.0736      2.00000
     88      -7.0303      2.00000
     89      -6.6717      2.00000
     90      -6.5964      2.00000
     91      -6.5416      2.00000
     92      -6.5158      2.00000
     93      -6.4807      2.00000
     94      -6.2745      2.00000
     95      -6.1286      2.00000
     96      -6.0496      2.00000
     97      -5.9602      2.00000
     98      -5.8966      2.00000
     99      -5.7343      2.00000
    100      -5.6711      2.00000
    101      -5.6336      2.00000
    102      -5.5308      2.00000
    103      -5.4776      2.00000
    104      -5.4065      2.00000
    105      -5.3527      2.00000
    106      -5.2940      2.00000
    107      -5.2890      2.00000
    108      -5.1791      2.00000
    109      -5.1541      2.00000
    110      -5.1084      2.00000
    111      -5.0727      2.00000
    112      -5.0038      2.00000
    113      -4.8645      2.00000
    114      -4.8034      2.00000
    115      -4.7216      2.00000
    116      -4.6222      2.00000
    117      -4.5603      2.00000
    118      -4.5429      2.00000
    119      -4.4651      2.00000
    120      -4.3480      2.00000
    121      -4.2119      2.00000
    122      -4.1426      2.00000
    123      -3.8809      2.00000
    124      -3.7464      2.00000
    125      -3.6609      2.00000
    126      -3.6381      2.00000
    127      -3.5825      2.00000
    128      -3.5097      2.00000
    129      -2.7529      2.00000
    130      -2.7202      2.00000
    131      -2.5587      2.00000
    132      -2.4634      2.00000
    133      -2.4452      2.00000
    134      -2.3318      2.00000
    135      -2.2641      2.00000
    136      -2.1804      2.00000
    137      -2.0174      2.00000
    138      -1.9003      2.00000
    139      -1.8399      2.00000
    140      -1.7760      2.00000
    141      -1.7454      2.00000
    142      -1.7361      2.00000
    143      -1.6831      2.00000
    144      -1.5734      2.00000
    145      -1.5529      2.00000
    146      -1.4896      2.00000
    147      -1.3957      2.00000
    148      -1.3786      2.00000
    149      -1.3321      2.00000
    150      -1.2816      2.00000
    151      -1.2538      2.00000
    152      -1.2163      2.00000
    153      -1.1771      2.00000
    154      -1.1696      2.00000
    155      -1.1442      2.00000
    156      -1.1143      2.00000
    157      -1.0981      2.00000
    158      -1.0674      2.00000
    159      -1.0523      2.00000
    160      -0.9728      2.00000
    161      -0.8605      2.00000
    162      -0.8325      2.00000
    163      -0.8164      2.00000
    164      -0.7872      2.00000
    165      -0.7584      2.00000
    166      -0.7499      2.00000
    167      -0.7027      2.00000
    168      -0.6532      2.00000
    169      -0.6403      2.00000
    170      -0.6003      2.00000
    171      -0.5665      2.00000
    172      -0.5501      2.00000
    173      -0.5130      2.00000
    174      -0.4473      2.00000
    175      -0.3984      2.00000
    176      -0.2837      2.00000
    177      -0.1384      2.00000
    178       0.0029      2.00000
    179       0.1395      2.00000
    180       0.2044      2.00000
    181       0.2628      2.00000
    182       0.3916      2.00000
    183       0.4523      2.00000
    184       0.5185      2.00000
    185       5.3049      0.00000
    186       5.7613      0.00000
    187       5.8415      0.00000
    188       6.1089      0.00000
    189       6.1662      0.00000
    190       6.1762      0.00000
    191       6.2078      0.00000
    192       6.4936      0.00000
    193       6.6317      0.00000
    194       6.9373      0.00000
    195       7.0931      0.00000
    196       7.2907      0.00000
    197       7.5573      0.00000
    198       7.6059      0.00000
    199       7.9472      0.00000
    200       8.2180      0.00000
    201       8.5057      0.00000
    202       8.5792      0.00000
    203       8.7174      0.00000
    204       8.9322      0.00000
    205       9.2606      0.00000
    206       9.4587      0.00000
    207       9.5980      0.00000
    208       9.7164      0.00000
    209       9.8746      0.00000
    210       9.8947      0.00000
    211       9.9833      0.00000
    212      10.0123      0.00000
    213      10.1686      0.00000
    214      10.2431      0.00000
    215      10.3324      0.00000
    216      10.5465      0.00000
    217      10.6937      0.00000
    218      10.7329      0.00000
    219      10.8565      0.00000
    220      10.9082      0.00000
    221      10.9457      0.00000
    222      11.0321      0.00000
    223      11.1340      0.00000
    224      11.1730      0.00000
    225      11.2203      0.00000
    226      11.4014      0.00000
    227      11.4196      0.00000
    228      11.4985      0.00000
    229      11.6596      0.00000
    230      11.6737      0.00000
    231      11.7993      0.00000
    232      11.8334      0.00000
    233      11.8862      0.00000
    234      11.9398      0.00000
    235      12.0540      0.00000
    236      12.1613      0.00000
    237      12.2127      0.00000
    238      12.2641      0.00000
    239      12.2977      0.00000
    240      12.4077      0.00000
    241      12.4344      0.00000
    242      12.4771      0.00000
    243      12.5383      0.00000
    244      12.6256      0.00000
    245      12.7231      0.00000
    246      12.7608      0.00000
    247      12.8309      0.00000
    248      12.9295      0.00000
    249      12.9443      0.00000
    250      13.0243      0.00000
    251      13.0469      0.00000
    252      13.1412      0.00000
    253      13.1786      0.00000
    254      13.2391      0.00000
    255      13.2408      0.00000
    256      13.3100      0.00000

 k-point    10 :      -0.1667    0.1429    0.0000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2787      2.00000
     42     -21.1932      2.00000
     43     -21.1813      2.00000
     44     -21.1689      2.00000
     45     -20.9681      2.00000
     46     -20.9328      2.00000
     47     -20.9079      2.00000
     48     -20.8856      2.00000
     49     -19.3199      2.00000
     50     -19.3000      2.00000
     51     -19.2923      2.00000
     52     -19.2692      2.00000
     53     -18.7144      2.00000
     54     -18.6723      2.00000
     55     -18.6653      2.00000
     56     -18.6399      2.00000
     57     -18.2818      2.00000
     58     -18.2033      2.00000
     59     -18.2022      2.00000
     60     -18.1679      2.00000
     61     -18.1259      2.00000
     62     -18.1087      2.00000
     63     -18.0676      2.00000
     64     -18.0226      2.00000
     65     -17.9021      2.00000
     66     -17.8928      2.00000
     67     -17.8687      2.00000
     68     -17.8525      2.00000
     69     -17.8037      2.00000
     70     -17.7204      2.00000
     71     -17.6903      2.00000
     72     -17.6325      2.00000
     73     -17.3216      2.00000
     74     -17.3111      2.00000
     75     -17.2864      2.00000
     76     -17.2742      2.00000
     77      -8.2756      2.00000
     78      -7.8739      2.00000
     79      -7.8306      2.00000
     80      -7.6632      2.00000
     81      -7.5316      2.00000
     82      -7.3949      2.00000
     83      -7.3610      2.00000
     84      -7.2758      2.00000
     85      -7.1511      2.00000
     86      -7.0954      2.00000
     87      -7.0734      2.00000
     88      -7.0363      2.00000
     89      -6.6597      2.00000
     90      -6.5489      2.00000
     91      -6.5445      2.00000
     92      -6.5103      2.00000
     93      -6.4752      2.00000
     94      -6.2687      2.00000
     95      -6.1233      2.00000
     96      -6.0424      2.00000
     97      -5.9378      2.00000
     98      -5.8668      2.00000
     99      -5.7572      2.00000
    100      -5.7023      2.00000
    101      -5.6521      2.00000
    102      -5.5612      2.00000
    103      -5.4601      2.00000
    104      -5.4443      2.00000
    105      -5.3418      2.00000
    106      -5.2956      2.00000
    107      -5.2666      2.00000
    108      -5.2281      2.00000
    109      -5.1879      2.00000
    110      -5.1335      2.00000
    111      -5.0548      2.00000
    112      -4.9711      2.00000
    113      -4.8339      2.00000
    114      -4.7272      2.00000
    115      -4.6933      2.00000
    116      -4.6288      2.00000
    117      -4.5614      2.00000
    118      -4.5169      2.00000
    119      -4.4828      2.00000
    120      -4.3843      2.00000
    121      -4.2391      2.00000
    122      -4.1372      2.00000
    123      -3.9181      2.00000
    124      -3.7185      2.00000
    125      -3.6742      2.00000
    126      -3.6245      2.00000
    127      -3.5814      2.00000
    128      -3.5418      2.00000
    129      -2.8027      2.00000
    130      -2.6546      2.00000
    131      -2.5086      2.00000
    132      -2.4972      2.00000
    133      -2.4551      2.00000
    134      -2.3939      2.00000
    135      -2.2924      2.00000
    136      -2.1971      2.00000
    137      -1.9146      2.00000
    138      -1.8659      2.00000
    139      -1.8378      2.00000
    140      -1.7790      2.00000
    141      -1.7653      2.00000
    142      -1.7194      2.00000
    143      -1.6826      2.00000
    144      -1.5958      2.00000
    145      -1.5340      2.00000
    146      -1.5185      2.00000
    147      -1.4129      2.00000
    148      -1.4100      2.00000
    149      -1.3261      2.00000
    150      -1.2887      2.00000
    151      -1.2636      2.00000
    152      -1.2507      2.00000
    153      -1.1998      2.00000
    154      -1.1836      2.00000
    155      -1.1161      2.00000
    156      -1.1036      2.00000
    157      -1.0895      2.00000
    158      -1.0599      2.00000
    159      -0.9983      2.00000
    160      -0.9374      2.00000
    161      -0.8535      2.00000
    162      -0.8144      2.00000
    163      -0.8025      2.00000
    164      -0.7864      2.00000
    165      -0.7528      2.00000
    166      -0.7310      2.00000
    167      -0.7267      2.00000
    168      -0.6759      2.00000
    169      -0.6446      2.00000
    170      -0.6070      2.00000
    171      -0.5603      2.00000
    172      -0.5341      2.00000
    173      -0.5167      2.00000
    174      -0.4407      2.00000
    175      -0.4146      2.00000
    176      -0.2859      2.00000
    177      -0.1410      2.00000
    178       0.0045      2.00000
    179       0.1484      2.00000
    180       0.2068      2.00000
    181       0.2624      2.00000
    182       0.3820      2.00000
    183       0.4384      2.00000
    184       0.5103      2.00000
    185       5.1399      0.00000
    186       5.7632      0.00000
    187       5.8980      0.00000
    188       6.1008      0.00000
    189       6.1612      0.00000
    190       6.2029      0.00000
    191       6.3939      0.00000
    192       6.5131      0.00000
    193       6.6372      0.00000
    194       6.9418      0.00000
    195       7.1236      0.00000
    196       7.2896      0.00000
    197       7.5751      0.00000
    198       7.6153      0.00000
    199       7.9641      0.00000
    200       8.1836      0.00000
    201       8.3923      0.00000
    202       8.4487      0.00000
    203       8.8416      0.00000
    204       8.8768      0.00000
    205       9.2242      0.00000
    206       9.3926      0.00000
    207       9.5128      0.00000
    208       9.6158      0.00000
    209       9.8272      0.00000
    210       9.8610      0.00000
    211       9.9283      0.00000
    212       9.9473      0.00000
    213      10.1827      0.00000
    214      10.2685      0.00000
    215      10.3418      0.00000
    216      10.6099      0.00000
    217      10.7837      0.00000
    218      10.8129      0.00000
    219      10.9375      0.00000
    220      11.0497      0.00000
    221      11.0572      0.00000
    222      11.1495      0.00000
    223      11.1689      0.00000
    224      11.2340      0.00000
    225      11.3608      0.00000
    226      11.4107      0.00000
    227      11.4848      0.00000
    228      11.5852      0.00000
    229      11.6510      0.00000
    230      11.7158      0.00000
    231      11.7343      0.00000
    232      11.8077      0.00000
    233      11.8214      0.00000
    234      11.8295      0.00000
    235      11.9803      0.00000
    236      12.1154      0.00000
    237      12.1328      0.00000
    238      12.1752      0.00000
    239      12.2589      0.00000
    240      12.3484      0.00000
    241      12.3910      0.00000
    242      12.4749      0.00000
    243      12.5492      0.00000
    244      12.6387      0.00000
    245      12.7526      0.00000
    246      12.7649      0.00000
    247      12.7909      0.00000
    248      12.8156      0.00000
    249      12.8574      0.00000
    250      12.9533      0.00000
    251      12.9985      0.00000
    252      13.0683      0.00000
    253      13.1327      0.00000
    254      13.2158      0.00000
    255      13.2595      0.00000
    256      13.3586      0.00000

 k-point    11 :       0.0000    0.2857   -0.0000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2686      2.00000
     42     -21.2114      2.00000
     43     -21.1774      2.00000
     44     -21.1662      2.00000
     45     -20.9583      2.00000
     46     -20.9256      2.00000
     47     -20.9170      2.00000
     48     -20.8930      2.00000
     49     -19.3186      2.00000
     50     -19.3040      2.00000
     51     -19.2890      2.00000
     52     -19.2712      2.00000
     53     -18.7098      2.00000
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     55     -18.6600      2.00000
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     59     -18.1869      2.00000
     60     -18.1815      2.00000
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    184       0.4872      2.00000
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    191       6.2962      0.00000
    192       6.4664      0.00000
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    199       8.2000      0.00000
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    201       8.3198      0.00000
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    203       8.5789      0.00000
    204       8.8266      0.00000
    205       9.2350      0.00000
    206       9.3414      0.00000
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    208       9.5856      0.00000
    209       9.8573      0.00000
    210       9.8801      0.00000
    211      10.0407      0.00000
    212      10.0555      0.00000
    213      10.2138      0.00000
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    215      10.4376      0.00000
    216      10.7087      0.00000
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    218      10.9200      0.00000
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    239      12.2473      0.00000
    240      12.3633      0.00000
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    253      13.1768      0.00000
    254      13.2380      0.00000
    255      13.3010      0.00000
    256      13.3341      0.00000

 k-point    12 :       0.1667    0.2857   -0.0000
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2679      2.00000
     42     -21.2112      2.00000
     43     -21.1774      2.00000
     44     -21.1663      2.00000
     45     -20.9592      2.00000
     46     -20.9257      2.00000
     47     -20.9175      2.00000
     48     -20.8930      2.00000
     49     -19.3177      2.00000
     50     -19.3038      2.00000
     51     -19.2877      2.00000
     52     -19.2718      2.00000
     53     -18.7070      2.00000
     54     -18.6780      2.00000
     55     -18.6611      2.00000
     56     -18.6438      2.00000
     57     -18.2627      2.00000
     58     -18.1963      2.00000
     59     -18.1870      2.00000
     60     -18.1825      2.00000
     61     -18.1463      2.00000
     62     -18.1208      2.00000
     63     -18.0584      2.00000
     64     -18.0279      2.00000
     65     -17.8997      2.00000
     66     -17.8924      2.00000
     67     -17.8662      2.00000
     68     -17.8539      2.00000
     69     -17.7923      2.00000
     70     -17.7120      2.00000
     71     -17.7053      2.00000
     72     -17.6452      2.00000
     73     -17.3144      2.00000
     74     -17.3048      2.00000
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     77      -8.2236      2.00000
     78      -7.9441      2.00000
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     80      -7.6214      2.00000
     81      -7.5696      2.00000
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     84      -7.2666      2.00000
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     86      -7.1015      2.00000
     87      -7.0696      2.00000
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     89      -6.6425      2.00000
     90      -6.5683      2.00000
     91      -6.5410      2.00000
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     95      -6.1280      2.00000
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    225      11.3433      0.00000
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    256      13.3055      0.00000

 k-point    13 :       0.3333    0.2857   -0.0000
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2663      2.00000
     42     -21.2109      2.00000
     43     -21.1775      2.00000
     44     -21.1663      2.00000
     45     -20.9610      2.00000
     46     -20.9258      2.00000
     47     -20.9186      2.00000
     48     -20.8931      2.00000
     49     -19.3160      2.00000
     50     -19.3034      2.00000
     51     -19.2847      2.00000
     52     -19.2737      2.00000
     53     -18.7005      2.00000
     54     -18.6805      2.00000
     55     -18.6637      2.00000
     56     -18.6411      2.00000
     57     -18.2636      2.00000
     58     -18.2060      2.00000
     59     -18.1864      2.00000
     60     -18.1847      2.00000
     61     -18.1494      2.00000
     62     -18.1206      2.00000
     63     -18.0580      2.00000
     64     -18.0275      2.00000
     65     -17.9006      2.00000
     66     -17.8930      2.00000
     67     -17.8616      2.00000
     68     -17.8511      2.00000
     69     -17.7914      2.00000
     70     -17.7111      2.00000
     71     -17.7051      2.00000
     72     -17.6454      2.00000
     73     -17.3090      2.00000
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     77      -8.2396      2.00000
     78      -7.9601      2.00000
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     80      -7.6152      2.00000
     81      -7.5293      2.00000
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     83      -7.3427      2.00000
     84      -7.2611      2.00000
     85      -7.1353      2.00000
     86      -7.1060      2.00000
     87      -7.0764      2.00000
     88      -7.0385      2.00000
     89      -6.6587      2.00000
     90      -6.6061      2.00000
     91      -6.5400      2.00000
     92      -6.5245      2.00000
     93      -6.4606      2.00000
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     95      -6.1427      2.00000
     96      -6.0820      2.00000
     97      -5.9406      2.00000
     98      -5.8840      2.00000
     99      -5.7437      2.00000
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    123      -3.8456      2.00000
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    128      -3.5062      2.00000
    129      -2.7341      2.00000
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    131      -2.5315      2.00000
    132      -2.4572      2.00000
    133      -2.3697      2.00000
    134      -2.2854      2.00000
    135      -2.2240      2.00000
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    143      -1.6915      2.00000
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    147      -1.4436      2.00000
    148      -1.3836      2.00000
    149      -1.3358      2.00000
    150      -1.2873      2.00000
    151      -1.2682      2.00000
    152      -1.2328      2.00000
    153      -1.2085      2.00000
    154      -1.1751      2.00000
    155      -1.1637      2.00000
    156      -1.1163      2.00000
    157      -1.0993      2.00000
    158      -1.0752      2.00000
    159      -1.0507      2.00000
    160      -0.9729      2.00000
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    179       0.0723      2.00000
    180       0.1838      2.00000
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    182       0.4112      2.00000
    183       0.4226      2.00000
    184       0.4992      2.00000
    185       5.4467      0.00000
    186       5.7752      0.00000
    187       5.8902      0.00000
    188       6.1033      0.00000
    189       6.1527      0.00000
    190       6.1943      0.00000
    191       6.2407      0.00000
    192       6.4393      0.00000
    193       6.6721      0.00000
    194       6.8211      0.00000
    195       6.9034      0.00000
    196       7.1958      0.00000
    197       7.4179      0.00000
    198       7.5686      0.00000
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    203       8.8143      0.00000
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    206       9.3509      0.00000
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    208       9.7610      0.00000
    209       9.8406      0.00000
    210       9.8543      0.00000
    211      10.0335      0.00000
    212      10.1499      0.00000
    213      10.2334      0.00000
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    215      10.3533      0.00000
    216      10.4973      0.00000
    217      10.6684      0.00000
    218      10.7350      0.00000
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    224      11.1808      0.00000
    225      11.3006      0.00000
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    227      11.3887      0.00000
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    230      11.6591      0.00000
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    238      12.2457      0.00000
    239      12.3470      0.00000
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    256      13.2998      0.00000

 k-point    14 :       0.5000    0.2857   -0.0000
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2655      2.00000
     42     -21.2107      2.00000
     43     -21.1775      2.00000
     44     -21.1664      2.00000
     45     -20.9619      2.00000
     46     -20.9259      2.00000
     47     -20.9192      2.00000
     48     -20.8931      2.00000
     49     -19.3151      2.00000
     50     -19.3032      2.00000
     51     -19.2827      2.00000
     52     -19.2751      2.00000
     53     -18.6963      2.00000
     54     -18.6825      2.00000
     55     -18.6653      2.00000
     56     -18.6399      2.00000
     57     -18.2641      2.00000
     58     -18.2107      2.00000
     59     -18.1859      2.00000
     60     -18.1858      2.00000
     61     -18.1511      2.00000
     62     -18.1205      2.00000
     63     -18.0579      2.00000
     64     -18.0273      2.00000
     65     -17.9010      2.00000
     66     -17.8934      2.00000
     67     -17.8592      2.00000
     68     -17.8498      2.00000
     69     -17.7910      2.00000
     70     -17.7107      2.00000
     71     -17.7051      2.00000
     72     -17.6455      2.00000
     73     -17.3031      2.00000
     74     -17.3009      2.00000
     75     -17.2925      2.00000
     76     -17.2914      2.00000
     77      -8.2470      2.00000
     78      -7.9669      2.00000
     79      -7.7677      2.00000
     80      -7.6118      2.00000
     81      -7.5119      2.00000
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     83      -7.3333      2.00000
     84      -7.2593      2.00000
     85      -7.1386      2.00000
     86      -7.0964      2.00000
     87      -7.0851      2.00000
     88      -7.0391      2.00000
     89      -6.6700      2.00000
     90      -6.6229      2.00000
     91      -6.5329      2.00000
     92      -6.5318      2.00000
     93      -6.4655      2.00000
     94      -6.3169      2.00000
     95      -6.1494      2.00000
     96      -6.0867      2.00000
     97      -5.9468      2.00000
     98      -5.8944      2.00000
     99      -5.7207      2.00000
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    110      -5.1050      2.00000
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    113      -4.8500      2.00000
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    190       6.1641      0.00000
    191       6.2328      0.00000
    192       6.4309      0.00000
    193       6.6703      0.00000
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    206       9.3345      0.00000
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    208       9.7059      0.00000
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    211      10.0279      0.00000
    212      10.1200      0.00000
    213      10.2224      0.00000
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    223      11.1324      0.00000
    224      11.1524      0.00000
    225      11.2739      0.00000
    226      11.3299      0.00000
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    230      11.6356      0.00000
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    232      11.8494      0.00000
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    256      13.3479      0.00000

 k-point    15 :      -0.3333    0.2857    0.0000
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2663      2.00000
     42     -21.2109      2.00000
     43     -21.1775      2.00000
     44     -21.1663      2.00000
     45     -20.9610      2.00000
     46     -20.9258      2.00000
     47     -20.9186      2.00000
     48     -20.8931      2.00000
     49     -19.3160      2.00000
     50     -19.3034      2.00000
     51     -19.2847      2.00000
     52     -19.2737      2.00000
     53     -18.7005      2.00000
     54     -18.6806      2.00000
     55     -18.6637      2.00000
     56     -18.6411      2.00000
     57     -18.2636      2.00000
     58     -18.2060      2.00000
     59     -18.1864      2.00000
     60     -18.1847      2.00000
     61     -18.1494      2.00000
     62     -18.1206      2.00000
     63     -18.0580      2.00000
     64     -18.0275      2.00000
     65     -17.9006      2.00000
     66     -17.8930      2.00000
     67     -17.8616      2.00000
     68     -17.8511      2.00000
     69     -17.7914      2.00000
     70     -17.7111      2.00000
     71     -17.7052      2.00000
     72     -17.6454      2.00000
     73     -17.3090      2.00000
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     77      -8.2396      2.00000
     78      -7.9601      2.00000
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     80      -7.6152      2.00000
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     84      -7.2611      2.00000
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     86      -7.1059      2.00000
     87      -7.0767      2.00000
     88      -7.0383      2.00000
     89      -6.6588      2.00000
     90      -6.6060      2.00000
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     92      -6.5248      2.00000
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     95      -6.1427      2.00000
     96      -6.0820      2.00000
     97      -5.9406      2.00000
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    208       9.7609      0.00000
    209       9.8405      0.00000
    210       9.8542      0.00000
    211      10.0334      0.00000
    212      10.1499      0.00000
    213      10.2332      0.00000
    214      10.3275      0.00000
    215      10.3532      0.00000
    216      10.4974      0.00000
    217      10.6689      0.00000
    218      10.7345      0.00000
    219      10.8654      0.00000
    220      10.8985      0.00000
    221      10.9586      0.00000
    222      10.9888      0.00000
    223      11.1268      0.00000
    224      11.1809      0.00000
    225      11.3010      0.00000
    226      11.3614      0.00000
    227      11.3887      0.00000
    228      11.5258      0.00000
    229      11.5281      0.00000
    230      11.6586      0.00000
    231      11.7632      0.00000
    232      11.8050      0.00000
    233      11.8722      0.00000
    234      11.9072      0.00000
    235      11.9901      0.00000
    236      12.1368      0.00000
    237      12.2304      0.00000
    238      12.2459      0.00000
    239      12.3468      0.00000
    240      12.4127      0.00000
    241      12.4689      0.00000
    242      12.4882      0.00000
    243      12.6070      0.00000
    244      12.6466      0.00000
    245      12.6953      0.00000
    246      12.7628      0.00000
    247      12.7879      0.00000
    248      12.9009      0.00000
    249      12.9605      0.00000
    250      12.9955      0.00000
    251      13.0249      0.00000
    252      13.1203      0.00000
    253      13.1360      0.00000
    254      13.2316      0.00000
    255      13.2610      0.00000
    256      13.2999      0.00000

 k-point    16 :      -0.1667    0.2857    0.0000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2679      2.00000
     42     -21.2112      2.00000
     43     -21.1774      2.00000
     44     -21.1663      2.00000
     45     -20.9592      2.00000
     46     -20.9257      2.00000
     47     -20.9175      2.00000
     48     -20.8930      2.00000
     49     -19.3177      2.00000
     50     -19.3038      2.00000
     51     -19.2877      2.00000
     52     -19.2719      2.00000
     53     -18.7070      2.00000
     54     -18.6780      2.00000
     55     -18.6610      2.00000
     56     -18.6438      2.00000
     57     -18.2627      2.00000
     58     -18.1963      2.00000
     59     -18.1870      2.00000
     60     -18.1825      2.00000
     61     -18.1463      2.00000
     62     -18.1208      2.00000
     63     -18.0584      2.00000
     64     -18.0279      2.00000
     65     -17.8996      2.00000
     66     -17.8924      2.00000
     67     -17.8661      2.00000
     68     -17.8539      2.00000
     69     -17.7923      2.00000
     70     -17.7119      2.00000
     71     -17.7053      2.00000
     72     -17.6452      2.00000
     73     -17.3144      2.00000
     74     -17.3048      2.00000
     75     -17.2909      2.00000
     76     -17.2789      2.00000
     77      -8.2236      2.00000
     78      -7.9441      2.00000
     79      -7.7935      2.00000
     80      -7.6214      2.00000
     81      -7.5696      2.00000
     82      -7.4198      2.00000
     83      -7.3517      2.00000
     84      -7.2666      2.00000
     85      -7.1402      2.00000
     86      -7.1016      2.00000
     87      -7.0698      2.00000
     88      -7.0437      2.00000
     89      -6.6426      2.00000
     90      -6.5682      2.00000
     91      -6.5408      2.00000
     92      -6.5198      2.00000
     93      -6.4549      2.00000
     94      -6.3109      2.00000
     95      -6.1280      2.00000
     96      -6.0730      2.00000
     97      -5.9276      2.00000
     98      -5.8524      2.00000
     99      -5.7707      2.00000
    100      -5.7168      2.00000
    101      -5.6780      2.00000
    102      -5.5818      2.00000
    103      -5.4227      2.00000
    104      -5.4144      2.00000
    105      -5.3343      2.00000
    106      -5.2896      2.00000
    107      -5.2600      2.00000
    108      -5.2096      2.00000
    109      -5.1852      2.00000
    110      -5.1591      2.00000
    111      -5.0589      2.00000
    112      -4.9896      2.00000
    113      -4.8185      2.00000
    114      -4.7394      2.00000
    115      -4.6818      2.00000
    116      -4.6401      2.00000
    117      -4.5711      2.00000
    118      -4.5334      2.00000
    119      -4.4736      2.00000
    120      -4.4016      2.00000
    121      -4.2318      2.00000
    122      -4.1681      2.00000
    123      -3.8619      2.00000
    124      -3.7277      2.00000
    125      -3.6694      2.00000
    126      -3.6333      2.00000
    127      -3.5538      2.00000
    128      -3.5308      2.00000
    129      -2.7696      2.00000
    130      -2.6614      2.00000
    131      -2.5040      2.00000
    132      -2.4840      2.00000
    133      -2.3797      2.00000
    134      -2.3049      2.00000
    135      -2.2829      2.00000
    136      -2.2141      2.00000
    137      -1.9521      2.00000
    138      -1.8683      2.00000
    139      -1.8434      2.00000
    140      -1.7970      2.00000
    141      -1.7606      2.00000
    142      -1.7137      2.00000
    143      -1.6764      2.00000
    144      -1.5966      2.00000
    145      -1.5526      2.00000
    146      -1.5305      2.00000
    147      -1.4555      2.00000
    148      -1.3813      2.00000
    149      -1.3265      2.00000
    150      -1.2943      2.00000
    151      -1.2812      2.00000
    152      -1.2563      2.00000
    153      -1.2094      2.00000
    154      -1.1904      2.00000
    155      -1.1462      2.00000
    156      -1.0995      2.00000
    157      -1.0960      2.00000
    158      -1.0724      2.00000
    159      -1.0230      2.00000
    160      -0.9581      2.00000
    161      -0.8821      2.00000
    162      -0.8621      2.00000
    163      -0.8248      2.00000
    164      -0.8083      2.00000
    165      -0.7810      2.00000
    166      -0.7278      2.00000
    167      -0.6891      2.00000
    168      -0.6565      2.00000
    169      -0.6223      2.00000
    170      -0.6109      2.00000
    171      -0.5798      2.00000
    172      -0.5325      2.00000
    173      -0.4868      2.00000
    174      -0.3990      2.00000
    175      -0.3552      2.00000
    176      -0.2248      2.00000
    177      -0.1714      2.00000
    178       0.0376      2.00000
    179       0.0762      2.00000
    180       0.1836      2.00000
    181       0.2865      2.00000
    182       0.4031      2.00000
    183       0.4113      2.00000
    184       0.4912      2.00000
    185       5.3027      0.00000
    186       5.7750      0.00000
    187       5.9025      0.00000
    188       6.1216      0.00000
    189       6.1651      0.00000
    190       6.1814      0.00000
    191       6.2908      0.00000
    192       6.4568      0.00000
    193       6.6766      0.00000
    194       6.8846      0.00000
    195       7.0123      0.00000
    196       7.3280      0.00000
    197       7.4902      0.00000
    198       7.5500      0.00000
    199       8.1140      0.00000
    200       8.3470      0.00000
    201       8.3841      0.00000
    202       8.4264      0.00000
    203       8.7346      0.00000
    204       8.8771      0.00000
    205       9.2122      0.00000
    206       9.3646      0.00000
    207       9.4349      0.00000
    208       9.6619      0.00000
    209       9.8061      0.00000
    210      10.0088      0.00000
    211      10.0209      0.00000
    212      10.1113      0.00000
    213      10.2137      0.00000
    214      10.2548      0.00000
    215      10.4075      0.00000
    216      10.6488      0.00000
    217      10.7319      0.00000
    218      10.8468      0.00000
    219      10.9243      0.00000
    220      11.0237      0.00000
    221      11.0834      0.00000
    222      11.0918      0.00000
    223      11.0993      0.00000
    224      11.1678      0.00000
    225      11.3434      0.00000
    226      11.4587      0.00000
    227      11.4778      0.00000
    228      11.5500      0.00000
    229      11.6421      0.00000
    230      11.6684      0.00000
    231      11.6808      0.00000
    232      11.7791      0.00000
    233      11.7955      0.00000
    234      11.8302      0.00000
    235      11.9512      0.00000
    236      12.0052      0.00000
    237      12.1709      0.00000
    238      12.2189      0.00000
    239      12.2642      0.00000
    240      12.3331      0.00000
    241      12.4054      0.00000
    242      12.5049      0.00000
    243      12.6046      0.00000
    244      12.6415      0.00000
    245      12.6756      0.00000
    246      12.7369      0.00000
    247      12.7749      0.00000
    248      12.8602      0.00000
    249      12.8735      0.00000
    250      12.9313      0.00000
    251      13.0234      0.00000
    252      13.0456      0.00000
    253      13.1643      0.00000
    254      13.2066      0.00000
    255      13.2734      0.00000
    256      13.3052      0.00000

 k-point    17 :       0.0000    0.4286   -0.0000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2520      2.00000
     42     -21.2320      2.00000
     43     -21.1724      2.00000
     44     -21.1679      2.00000
     45     -20.9453      2.00000
     46     -20.9305      2.00000
     47     -20.9153      2.00000
     48     -20.9037      2.00000
     49     -19.3145      2.00000
     50     -19.3093      2.00000
     51     -19.2825      2.00000
     52     -19.2762      2.00000
     53     -18.6988      2.00000
     54     -18.6870      2.00000
     55     -18.6549      2.00000
     56     -18.6497      2.00000
     57     -18.2343      2.00000
     58     -18.2046      2.00000
     59     -18.1811      2.00000
     60     -18.1658      2.00000
     61     -18.1650      2.00000
     62     -18.1411      2.00000
     63     -18.0473      2.00000
     64     -18.0366      2.00000
     65     -17.8957      2.00000
     66     -17.8931      2.00000
     67     -17.8645      2.00000
     68     -17.8597      2.00000
     69     -17.7705      2.00000
     70     -17.7415      2.00000
     71     -17.6851      2.00000
     72     -17.6638      2.00000
     73     -17.3067      2.00000
     74     -17.2972      2.00000
     75     -17.2963      2.00000
     76     -17.2855      2.00000
     77      -8.1354      2.00000
     78      -8.0373      2.00000
     79      -7.7312      2.00000
     80      -7.6527      2.00000
     81      -7.5609      2.00000
     82      -7.4882      2.00000
     83      -7.3116      2.00000
     84      -7.2792      2.00000
     85      -7.1292      2.00000
     86      -7.1127      2.00000
     87      -7.0593      2.00000
     88      -7.0575      2.00000
     89      -6.6100      2.00000
     90      -6.5807      2.00000
     91      -6.5319      2.00000
     92      -6.5257      2.00000
     93      -6.4150      2.00000
     94      -6.3634      2.00000
     95      -6.1193      2.00000
     96      -6.1023      2.00000
     97      -5.8934      2.00000
     98      -5.8525      2.00000
     99      -5.7784      2.00000
    100      -5.7346      2.00000
    101      -5.6771      2.00000
    102      -5.6278      2.00000
    103      -5.3962      2.00000
    104      -5.3877      2.00000
    105      -5.3265      2.00000
    106      -5.3135      2.00000
    107      -5.2379      2.00000
    108      -5.2156      2.00000
    109      -5.2064      2.00000
    110      -5.1858      2.00000
    111      -5.0419      2.00000
    112      -5.0122      2.00000
    113      -4.7760      2.00000
    114      -4.7389      2.00000
    115      -4.6581      2.00000
    116      -4.6471      2.00000
    117      -4.5721      2.00000
    118      -4.5484      2.00000
    119      -4.4551      2.00000
    120      -4.4403      2.00000
    121      -4.2279      2.00000
    122      -4.2051      2.00000
    123      -3.8010      2.00000
    124      -3.7493      2.00000
    125      -3.6613      2.00000
    126      -3.6448      2.00000
    127      -3.5350      2.00000
    128      -3.5342      2.00000
    129      -2.7301      2.00000
    130      -2.6697      2.00000
    131      -2.5167      2.00000
    132      -2.4890      2.00000
    133      -2.2857      2.00000
    134      -2.2695      2.00000
    135      -2.2366      2.00000
    136      -2.1411      2.00000
    137      -2.0782      2.00000
    138      -1.9648      2.00000
    139      -1.8259      2.00000
    140      -1.8088      2.00000
    141      -1.7375      2.00000
    142      -1.6917      2.00000
    143      -1.6722      2.00000
    144      -1.6309      2.00000
    145      -1.5511      2.00000
    146      -1.5167      2.00000
    147      -1.4228      2.00000
    148      -1.3695      2.00000
    149      -1.3187      2.00000
    150      -1.3170      2.00000
    151      -1.3064      2.00000
    152      -1.2798      2.00000
    153      -1.2216      2.00000
    154      -1.1986      2.00000
    155      -1.1352      2.00000
    156      -1.1019      2.00000
    157      -1.0878      2.00000
    158      -1.0864      2.00000
    159      -1.0135      2.00000
    160      -0.9998      2.00000
    161      -0.9067      2.00000
    162      -0.9006      2.00000
    163      -0.8573      2.00000
    164      -0.8328      2.00000
    165      -0.7533      2.00000
    166      -0.7339      2.00000
    167      -0.6687      2.00000
    168      -0.6552      2.00000
    169      -0.6207      2.00000
    170      -0.6179      2.00000
    171      -0.5734      2.00000
    172      -0.5411      2.00000
    173      -0.4241      2.00000
    174      -0.3857      2.00000
    175      -0.2940      2.00000
    176      -0.2328      2.00000
    177      -0.1244      2.00000
    178      -0.0204      2.00000
    179       0.0860      2.00000
    180       0.1388      2.00000
    181       0.3246      2.00000
    182       0.3670      2.00000
    183       0.4288      2.00000
    184       0.4599      2.00000
    185       5.4939      0.00000
    186       5.7295      0.00000
    187       5.9050      0.00000
    188       5.9536      0.00000
    189       6.1658      0.00000
    190       6.1666      0.00000
    191       6.3019      0.00000
    192       6.3854      0.00000
    193       6.7423      0.00000
    194       6.8179      0.00000
    195       7.2939      0.00000
    196       7.3919      0.00000
    197       7.4370      0.00000
    198       7.4733      0.00000
    199       8.1811      0.00000
    200       8.2455      0.00000
    201       8.3928      0.00000
    202       8.4318      0.00000
    203       8.5737      0.00000
    204       8.6849      0.00000
    205       9.3363      0.00000
    206       9.3498      0.00000
    207       9.4202      0.00000
    208       9.5129      0.00000
    209       9.8799      0.00000
    210       9.9346      0.00000
    211      10.1095      0.00000
    212      10.1680      0.00000
    213      10.3942      0.00000
    214      10.4600      0.00000
    215      10.5388      0.00000
    216      10.6427      0.00000
    217      10.7089      0.00000
    218      10.7674      0.00000
    219      10.9305      0.00000
    220      11.0427      0.00000
    221      11.0703      0.00000
    222      11.1388      0.00000
    223      11.2597      0.00000
    224      11.3084      0.00000
    225      11.3142      0.00000
    226      11.3169      0.00000
    227      11.4714      0.00000
    228      11.5172      0.00000
    229      11.6032      0.00000
    230      11.6464      0.00000
    231      11.6967      0.00000
    232      11.7009      0.00000
    233      11.8180      0.00000
    234      11.8293      0.00000
    235      11.8310      0.00000
    236      11.8891      0.00000
    237      12.1318      0.00000
    238      12.1514      0.00000
    239      12.2639      0.00000
    240      12.3444      0.00000
    241      12.3765      0.00000
    242      12.3840      0.00000
    243      12.5703      0.00000
    244      12.6333      0.00000
    245      12.7155      0.00000
    246      12.7340      0.00000
    247      12.7922      0.00000
    248      12.7965      0.00000
    249      12.8882      0.00000
    250      12.9670      0.00000
    251      12.9962      0.00000
    252      13.0627      0.00000
    253      13.2352      0.00000
    254      13.2654      0.00000
    255      13.2972      0.00000
    256      13.3288      0.00000

 k-point    18 :       0.1667    0.4286   -0.0000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2514      2.00000
     42     -21.2316      2.00000
     43     -21.1724      2.00000
     44     -21.1680      2.00000
     45     -20.9461      2.00000
     46     -20.9312      2.00000
     47     -20.9153      2.00000
     48     -20.9037      2.00000
     49     -19.3139      2.00000
     50     -19.3089      2.00000
     51     -19.2819      2.00000
     52     -19.2762      2.00000
     53     -18.6970      2.00000
     54     -18.6866      2.00000
     55     -18.6555      2.00000
     56     -18.6493      2.00000
     57     -18.2350      2.00000
     58     -18.2058      2.00000
     59     -18.1850      2.00000
     60     -18.1690      2.00000
     61     -18.1642      2.00000
     62     -18.1409      2.00000
     63     -18.0470      2.00000
     64     -18.0364      2.00000
     65     -17.8965      2.00000
     66     -17.8937      2.00000
     67     -17.8622      2.00000
     68     -17.8576      2.00000
     69     -17.7700      2.00000
     70     -17.7410      2.00000
     71     -17.6851      2.00000
     72     -17.6638      2.00000
     73     -17.3058      2.00000
     74     -17.2976      2.00000
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     76     -17.2864      2.00000
     77      -8.1435      2.00000
     78      -8.0454      2.00000
     79      -7.7193      2.00000
     80      -7.6376      2.00000
     81      -7.5591      2.00000
     82      -7.4874      2.00000
     83      -7.3088      2.00000
     84      -7.2762      2.00000
     85      -7.1260      2.00000
     86      -7.1124      2.00000
     87      -7.0624      2.00000
     88      -7.0536      2.00000
     89      -6.6186      2.00000
     90      -6.5931      2.00000
     91      -6.5362      2.00000
     92      -6.5291      2.00000
     93      -6.4162      2.00000
     94      -6.3650      2.00000
     95      -6.1272      2.00000
     96      -6.1077      2.00000
     97      -5.9007      2.00000
     98      -5.8676      2.00000
     99      -5.7680      2.00000
    100      -5.7326      2.00000
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    104      -5.3816      2.00000
    105      -5.3148      2.00000
    106      -5.2934      2.00000
    107      -5.2429      2.00000
    108      -5.2103      2.00000
    109      -5.1977      2.00000
    110      -5.1850      2.00000
    111      -5.0433      2.00000
    112      -5.0159      2.00000
    113      -4.7942      2.00000
    114      -4.7644      2.00000
    115      -4.6669      2.00000
    116      -4.6527      2.00000
    117      -4.5700      2.00000
    118      -4.5547      2.00000
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    120      -4.4272      2.00000
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    122      -4.1962      2.00000
    123      -3.8030      2.00000
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    127      -3.5315      2.00000
    128      -3.5243      2.00000
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    130      -2.6866      2.00000
    131      -2.5021      2.00000
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    136      -2.1408      2.00000
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    140      -1.8090      2.00000
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    144      -1.6278      2.00000
    145      -1.5562      2.00000
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    148      -1.3690      2.00000
    149      -1.3375      2.00000
    150      -1.3164      2.00000
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    152      -1.2685      2.00000
    153      -1.2200      2.00000
    154      -1.1912      2.00000
    155      -1.1629      2.00000
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    157      -1.0964      2.00000
    158      -1.0840      2.00000
    159      -1.0167      2.00000
    160      -0.9850      2.00000
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    178      -0.0205      2.00000
    179       0.0861      2.00000
    180       0.1391      2.00000
    181       0.3261      2.00000
    182       0.3711      2.00000
    183       0.4325      2.00000
    184       0.4637      2.00000
    185       5.5383      0.00000
    186       5.7398      0.00000
    187       5.9095      0.00000
    188       5.9946      0.00000
    189       6.1484      0.00000
    190       6.1629      0.00000
    191       6.2985      0.00000
    192       6.3768      0.00000
    193       6.7390      0.00000
    194       6.8140      0.00000
    195       7.0947      0.00000
    196       7.2709      0.00000
    197       7.4198      0.00000
    198       7.4864      0.00000
    199       8.2232      0.00000
    200       8.3382      0.00000
    201       8.4388      0.00000
    202       8.5029      0.00000
    203       8.6764      0.00000
    204       8.7729      0.00000
    205       9.2901      0.00000
    206       9.3924      0.00000
    207       9.4269      0.00000
    208       9.5262      0.00000
    209       9.8987      0.00000
    210       9.9807      0.00000
    211      10.0830      0.00000
    212      10.1458      0.00000
    213      10.3726      0.00000
    214      10.4591      0.00000
    215      10.5371      0.00000
    216      10.5534      0.00000
    217      10.6469      0.00000
    218      10.7552      0.00000
    219      10.9109      0.00000
    220      10.9312      0.00000
    221      11.0354      0.00000
    222      11.0828      0.00000
    223      11.1556      0.00000
    224      11.1744      0.00000
    225      11.3604      0.00000
    226      11.4057      0.00000
    227      11.4523      0.00000
    228      11.4849      0.00000
    229      11.6139      0.00000
    230      11.6536      0.00000
    231      11.7425      0.00000
    232      11.7547      0.00000
    233      11.7807      0.00000
    234      11.8186      0.00000
    235      11.9085      0.00000
    236      11.9593      0.00000
    237      12.2164      0.00000
    238      12.2507      0.00000
    239      12.2966      0.00000
    240      12.3409      0.00000
    241      12.3842      0.00000
    242      12.4462      0.00000
    243      12.5281      0.00000
    244      12.6406      0.00000
    245      12.7233      0.00000
    246      12.7531      0.00000
    247      12.7808      0.00000
    248      12.8467      0.00000
    249      12.9044      0.00000
    250      12.9326      0.00000
    251      13.0238      0.00000
    252      13.0792      0.00000
    253      13.1664      0.00000
    254      13.2054      0.00000
    255      13.2922      0.00000
    256      13.3062      0.00000

 k-point    19 :       0.3333    0.4286   -0.0000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2502      2.00000
     42     -21.2308      2.00000
     43     -21.1724      2.00000
     44     -21.1680      2.00000
     45     -20.9477      2.00000
     46     -20.9326      2.00000
     47     -20.9154      2.00000
     48     -20.9037      2.00000
     49     -19.3126      2.00000
     50     -19.3081      2.00000
     51     -19.2804      2.00000
     52     -19.2764      2.00000
     53     -18.6931      2.00000
     54     -18.6860      2.00000
     55     -18.6566      2.00000
     56     -18.6486      2.00000
     57     -18.2366      2.00000
     58     -18.2081      2.00000
     59     -18.1926      2.00000
     60     -18.1736      2.00000
     61     -18.1639      2.00000
     62     -18.1404      2.00000
     63     -18.0465      2.00000
     64     -18.0358      2.00000
     65     -17.8979      2.00000
     66     -17.8951      2.00000
     67     -17.8575      2.00000
     68     -17.8534      2.00000
     69     -17.7692      2.00000
     70     -17.7400      2.00000
     71     -17.6851      2.00000
     72     -17.6639      2.00000
     73     -17.3036      2.00000
     74     -17.2989      2.00000
     75     -17.2941      2.00000
     76     -17.2887      2.00000
     77      -8.1585      2.00000
     78      -8.0599      2.00000
     79      -7.6982      2.00000
     80      -7.6098      2.00000
     81      -7.5549      2.00000
     82      -7.4850      2.00000
     83      -7.3003      2.00000
     84      -7.2687      2.00000
     85      -7.1208      2.00000
     86      -7.1079      2.00000
     87      -7.0672      2.00000
     88      -7.0518      2.00000
     89      -6.6404      2.00000
     90      -6.6216      2.00000
     91      -6.5388      2.00000
     92      -6.5338      2.00000
     93      -6.4207      2.00000
     94      -6.3686      2.00000
     95      -6.1422      2.00000
     96      -6.1189      2.00000
     97      -5.9131      2.00000
     98      -5.8877      2.00000
     99      -5.7528      2.00000
    100      -5.7311      2.00000
    101      -5.6571      2.00000
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    103      -5.3744      2.00000
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    106      -5.2800      2.00000
    107      -5.2434      2.00000
    108      -5.2036      2.00000
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    110      -5.1676      2.00000
    111      -5.0505      2.00000
    112      -5.0327      2.00000
    113      -4.8250      2.00000
    114      -4.8078      2.00000
    115      -4.6879      2.00000
    116      -4.6658      2.00000
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    120      -4.4095      2.00000
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    150      -1.3363      2.00000
    151      -1.2623      2.00000
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    182       0.3790      2.00000
    183       0.4400      2.00000
    184       0.4713      2.00000
    185       5.6318      0.00000
    186       5.7539      0.00000
    187       5.9595      0.00000
    188       6.0844      0.00000
    189       6.1242      0.00000
    190       6.1506      0.00000
    191       6.2899      0.00000
    192       6.3617      0.00000
    193       6.7244      0.00000
    194       6.7775      0.00000
    195       6.8335      0.00000
    196       6.9676      0.00000
    197       7.4474      0.00000
    198       7.5094      0.00000
    199       8.2159      0.00000
    200       8.3575      0.00000
    201       8.5884      0.00000
    202       8.7072      0.00000
    203       8.9306      0.00000
    204       9.0235      0.00000
    205       9.1908      0.00000
    206       9.2875      0.00000
    207       9.5682      0.00000
    208       9.6524      0.00000
    209       9.8236      0.00000
    210       9.9003      0.00000
    211      10.0230      0.00000
    212      10.1590      0.00000
    213      10.2735      0.00000
    214      10.3270      0.00000
    215      10.4837      0.00000
    216      10.6102      0.00000
    217      10.6747      0.00000
    218      10.6980      0.00000
    219      10.8473      0.00000
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    221      10.9677      0.00000
    222      11.0194      0.00000
    223      11.0471      0.00000
    224      11.0945      0.00000
    225      11.3094      0.00000
    226      11.3664      0.00000
    227      11.3958      0.00000
    228      11.4683      0.00000
    229      11.5513      0.00000
    230      11.6982      0.00000
    231      11.7116      0.00000
    232      11.7694      0.00000
    233      11.8279      0.00000
    234      11.8502      0.00000
    235      12.0094      0.00000
    236      12.0921      0.00000
    237      12.2700      0.00000
    238      12.2882      0.00000
    239      12.3798      0.00000
    240      12.4352      0.00000
    241      12.4435      0.00000
    242      12.4641      0.00000
    243      12.5606      0.00000
    244      12.6263      0.00000
    245      12.7345      0.00000
    246      12.7832      0.00000
    247      12.8503      0.00000
    248      12.8682      0.00000
    249      12.9441      0.00000
    250      12.9754      0.00000
    251      13.0367      0.00000
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    253      13.1456      0.00000
    254      13.2007      0.00000
    255      13.2440      0.00000
    256      13.3037      0.00000

 k-point    20 :       0.5000    0.4286   -0.0000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2496      2.00000
     42     -21.2304      2.00000
     43     -21.1724      2.00000
     44     -21.1680      2.00000
     45     -20.9485      2.00000
     46     -20.9333      2.00000
     47     -20.9155      2.00000
     48     -20.9038      2.00000
     49     -19.3119      2.00000
     50     -19.3077      2.00000
     51     -19.2795      2.00000
     52     -19.2767      2.00000
     53     -18.6909      2.00000
     54     -18.6859      2.00000
     55     -18.6573      2.00000
     56     -18.6483      2.00000
     57     -18.2375      2.00000
     58     -18.2093      2.00000
     59     -18.1963      2.00000
     60     -18.1758      2.00000
     61     -18.1638      2.00000
     62     -18.1402      2.00000
     63     -18.0463      2.00000
     64     -18.0356      2.00000
     65     -17.8985      2.00000
     66     -17.8959      2.00000
     67     -17.8552      2.00000
     68     -17.8513      2.00000
     69     -17.7687      2.00000
     70     -17.7395      2.00000
     71     -17.6851      2.00000
     72     -17.6639      2.00000
     73     -17.3012      2.00000
     74     -17.3007      2.00000
     75     -17.2918      2.00000
     76     -17.2913      2.00000
     77      -8.1655      2.00000
     78      -8.0665      2.00000
     79      -7.6888      2.00000
     80      -7.5973      2.00000
     81      -7.5525      2.00000
     82      -7.4833      2.00000
     83      -7.2939      2.00000
     84      -7.2642      2.00000
     85      -7.1198      2.00000
     86      -7.1009      2.00000
     87      -7.0722      2.00000
     88      -7.0527      2.00000
     89      -6.6535      2.00000
     90      -6.6364      2.00000
     91      -6.5372      2.00000
     92      -6.5364      2.00000
     93      -6.4238      2.00000
     94      -6.3705      2.00000
     95      -6.1494      2.00000
     96      -6.1247      2.00000
     97      -5.9185      2.00000
     98      -5.8949      2.00000
     99      -5.7449      2.00000
    100      -5.7327      2.00000
    101      -5.6505      2.00000
    102      -5.6290      2.00000
    103      -5.3659      2.00000
    104      -5.3399      2.00000
    105      -5.2951      2.00000
    106      -5.2649      2.00000
    107      -5.2380      2.00000
    108      -5.2082      2.00000
    109      -5.1642      2.00000
    110      -5.1386      2.00000
    111      -5.0611      2.00000
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    113      -4.8331      2.00000
    114      -4.8315      2.00000
    115      -4.6990      2.00000
    116      -4.6734      2.00000
    117      -4.5740      2.00000
    118      -4.5727      2.00000
    119      -4.4379      2.00000
    120      -4.4026      2.00000
    121      -4.1813      2.00000
    122      -4.1715      2.00000
    123      -3.8052      2.00000
    124      -3.7873      2.00000
    125      -3.6449      2.00000
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    128      -3.5004      2.00000
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    130      -2.7116      2.00000
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    134      -2.2524      2.00000
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    150      -1.3526      2.00000
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    154      -1.1711      2.00000
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    157      -1.0983      2.00000
    158      -1.0946      2.00000
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    160      -1.0130      2.00000
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    183       0.4437      2.00000
    184       0.4751      2.00000
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    186       5.7581      0.00000
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    188       6.0787      0.00000
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    190       6.1487      0.00000
    191       6.2763      0.00000
    192       6.3563      0.00000
    193       6.6938      0.00000
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    195       6.7623      0.00000
    196       6.8311      0.00000
    197       7.4591      0.00000
    198       7.5200      0.00000
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    200       8.3527      0.00000
    201       8.7272      0.00000
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    203       9.1008      0.00000
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    206       9.2722      0.00000
    207       9.5344      0.00000
    208       9.6843      0.00000
    209       9.7100      0.00000
    210       9.8267      0.00000
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    212      10.1672      0.00000
    213      10.2537      0.00000
    214      10.2555      0.00000
    215      10.4887      0.00000
    216      10.6179      0.00000
    217      10.6887      0.00000
    218      10.7380      0.00000
    219      10.8026      0.00000
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    224      11.0705      0.00000
    225      11.2888      0.00000
    226      11.3347      0.00000
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    229      11.5307      0.00000
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    231      11.7344      0.00000
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    234      11.8581      0.00000
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    236      12.1710      0.00000
    237      12.2386      0.00000
    238      12.2800      0.00000
    239      12.3391      0.00000
    240      12.4196      0.00000
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    244      12.6670      0.00000
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    253      13.1394      0.00000
    254      13.1917      0.00000
    255      13.2248      0.00000
    256      13.2409      0.00000

 k-point    21 :      -0.3333    0.4286    0.0000
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2502      2.00000
     42     -21.2308      2.00000
     43     -21.1724      2.00000
     44     -21.1680      2.00000
     45     -20.9477      2.00000
     46     -20.9326      2.00000
     47     -20.9154      2.00000
     48     -20.9037      2.00000
     49     -19.3126      2.00000
     50     -19.3081      2.00000
     51     -19.2804      2.00000
     52     -19.2765      2.00000
     53     -18.6931      2.00000
     54     -18.6860      2.00000
     55     -18.6566      2.00000
     56     -18.6486      2.00000
     57     -18.2366      2.00000
     58     -18.2081      2.00000
     59     -18.1926      2.00000
     60     -18.1736      2.00000
     61     -18.1639      2.00000
     62     -18.1404      2.00000
     63     -18.0465      2.00000
     64     -18.0358      2.00000
     65     -17.8979      2.00000
     66     -17.8951      2.00000
     67     -17.8575      2.00000
     68     -17.8534      2.00000
     69     -17.7692      2.00000
     70     -17.7400      2.00000
     71     -17.6851      2.00000
     72     -17.6639      2.00000
     73     -17.3036      2.00000
     74     -17.2989      2.00000
     75     -17.2941      2.00000
     76     -17.2887      2.00000
     77      -8.1586      2.00000
     78      -8.0599      2.00000
     79      -7.6983      2.00000
     80      -7.6098      2.00000
     81      -7.5549      2.00000
     82      -7.4850      2.00000
     83      -7.3002      2.00000
     84      -7.2687      2.00000
     85      -7.1209      2.00000
     86      -7.1078      2.00000
     87      -7.0675      2.00000
     88      -7.0516      2.00000
     89      -6.6405      2.00000
     90      -6.6214      2.00000
     91      -6.5385      2.00000
     92      -6.5341      2.00000
     93      -6.4207      2.00000
     94      -6.3685      2.00000
     95      -6.1422      2.00000
     96      -6.1189      2.00000
     97      -5.9131      2.00000
     98      -5.8878      2.00000
     99      -5.7527      2.00000
    100      -5.7311      2.00000
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    103      -5.3745      2.00000
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    106      -5.2798      2.00000
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    108      -5.2035      2.00000
    109      -5.1783      2.00000
    110      -5.1676      2.00000
    111      -5.0507      2.00000
    112      -5.0325      2.00000
    113      -4.8252      2.00000
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    116      -4.6661      2.00000
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    184       0.4713      2.00000
    185       5.6317      0.00000
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    187       5.9593      0.00000
    188       6.0844      0.00000
    189       6.1242      0.00000
    190       6.1508      0.00000
    191       6.2898      0.00000
    192       6.3617      0.00000
    193       6.7246      0.00000
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    195       6.8332      0.00000
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    199       8.2160      0.00000
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    204       9.0236      0.00000
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    206       9.2874      0.00000
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    208       9.6522      0.00000
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    210       9.9006      0.00000
    211      10.0228      0.00000
    212      10.1591      0.00000
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    215      10.4838      0.00000
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    223      11.0469      0.00000
    224      11.0944      0.00000
    225      11.3099      0.00000
    226      11.3661      0.00000
    227      11.3949      0.00000
    228      11.4690      0.00000
    229      11.5522      0.00000
    230      11.6979      0.00000
    231      11.7109      0.00000
    232      11.7692      0.00000
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    236      12.0920      0.00000
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    253      13.1456      0.00000
    254      13.2010      0.00000
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    256      13.3042      0.00000

 k-point    22 :      -0.1667    0.4286    0.0000
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2514      2.00000
     42     -21.2316      2.00000
     43     -21.1724      2.00000
     44     -21.1680      2.00000
     45     -20.9461      2.00000
     46     -20.9312      2.00000
     47     -20.9153      2.00000
     48     -20.9037      2.00000
     49     -19.3139      2.00000
     50     -19.3089      2.00000
     51     -19.2819      2.00000
     52     -19.2763      2.00000
     53     -18.6970      2.00000
     54     -18.6867      2.00000
     55     -18.6554      2.00000
     56     -18.6494      2.00000
     57     -18.2350      2.00000
     58     -18.2057      2.00000
     59     -18.1850      2.00000
     60     -18.1689      2.00000
     61     -18.1642      2.00000
     62     -18.1409      2.00000
     63     -18.0470      2.00000
     64     -18.0364      2.00000
     65     -17.8965      2.00000
     66     -17.8937      2.00000
     67     -17.8621      2.00000
     68     -17.8576      2.00000
     69     -17.7701      2.00000
     70     -17.7410      2.00000
     71     -17.6851      2.00000
     72     -17.6638      2.00000
     73     -17.3058      2.00000
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     75     -17.2957      2.00000
     76     -17.2864      2.00000
     77      -8.1435      2.00000
     78      -8.0453      2.00000
     79      -7.7194      2.00000
     80      -7.6376      2.00000
     81      -7.5591      2.00000
     82      -7.4874      2.00000
     83      -7.3088      2.00000
     84      -7.2762      2.00000
     85      -7.1260      2.00000
     86      -7.1124      2.00000
     87      -7.0627      2.00000
     88      -7.0533      2.00000
     89      -6.6187      2.00000
     90      -6.5929      2.00000
     91      -6.5360      2.00000
     92      -6.5293      2.00000
     93      -6.4162      2.00000
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     95      -6.1272      2.00000
     96      -6.1077      2.00000
     97      -5.9007      2.00000
     98      -5.8676      2.00000
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    100      -5.7326      2.00000
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    180       0.1391      2.00000
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    182       0.3712      2.00000
    183       0.4326      2.00000
    184       0.4637      2.00000
    185       5.5383      0.00000
    186       5.7399      0.00000
    187       5.9093      0.00000
    188       5.9948      0.00000
    189       6.1481      0.00000
    190       6.1634      0.00000
    191       6.2984      0.00000
    192       6.3768      0.00000
    193       6.7391      0.00000
    194       6.8140      0.00000
    195       7.0947      0.00000
    196       7.2709      0.00000
    197       7.4198      0.00000
    198       7.4864      0.00000
    199       8.2234      0.00000
    200       8.3380      0.00000
    201       8.4382      0.00000
    202       8.5033      0.00000
    203       8.6768      0.00000
    204       8.7729      0.00000
    205       9.2898      0.00000
    206       9.3929      0.00000
    207       9.4271      0.00000
    208       9.5258      0.00000
    209       9.8987      0.00000
    210       9.9805      0.00000
    211      10.0834      0.00000
    212      10.1455      0.00000
    213      10.3725      0.00000
    214      10.4591      0.00000
    215      10.5371      0.00000
    216      10.5535      0.00000
    217      10.6470      0.00000
    218      10.7552      0.00000
    219      10.9107      0.00000
    220      10.9313      0.00000
    221      11.0353      0.00000
    222      11.0826      0.00000
    223      11.1557      0.00000
    224      11.1744      0.00000
    225      11.3602      0.00000
    226      11.4059      0.00000
    227      11.4529      0.00000
    228      11.4848      0.00000
    229      11.6142      0.00000
    230      11.6532      0.00000
    231      11.7427      0.00000
    232      11.7532      0.00000
    233      11.7812      0.00000
    234      11.8193      0.00000
    235      11.9078      0.00000
    236      11.9599      0.00000
    237      12.2167      0.00000
    238      12.2505      0.00000
    239      12.2960      0.00000
    240      12.3404      0.00000
    241      12.3855      0.00000
    242      12.4458      0.00000
    243      12.5276      0.00000
    244      12.6413      0.00000
    245      12.7231      0.00000
    246      12.7533      0.00000
    247      12.7805      0.00000
    248      12.8461      0.00000
    249      12.9051      0.00000
    250      12.9320      0.00000
    251      13.0237      0.00000
    252      13.0795      0.00000
    253      13.1661      0.00000
    254      13.2058      0.00000
    255      13.2909      0.00000
    256      13.3073      0.00000

 k-point    23 :      -0.0000    0.0000    0.1250
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2797      2.00000
     42     -21.1867      2.00000
     43     -21.1820      2.00000
     44     -21.1743      2.00000
     45     -20.9691      2.00000
     46     -20.9367      2.00000
     47     -20.9033      2.00000
     48     -20.8838      2.00000
     49     -19.3197      2.00000
     50     -19.2973      2.00000
     51     -19.2962      2.00000
     52     -19.2681      2.00000
     53     -18.7183      2.00000
     54     -18.6684      2.00000
     55     -18.6679      2.00000
     56     -18.6430      2.00000
     57     -18.2876      2.00000
     58     -18.2184      2.00000
     59     -18.1944      2.00000
     60     -18.1520      2.00000
     61     -18.1147      2.00000
     62     -18.1056      2.00000
     63     -18.0720      2.00000
     64     -18.0296      2.00000
     65     -17.9006      2.00000
     66     -17.8909      2.00000
     67     -17.8717      2.00000
     68     -17.8518      2.00000
     69     -17.8063      2.00000
     70     -17.7307      2.00000
     71     -17.6803      2.00000
     72     -17.6300      2.00000
     73     -17.3254      2.00000
     74     -17.3152      2.00000
     75     -17.2825      2.00000
     76     -17.2710      2.00000
     77      -8.2613      2.00000
     78      -7.8695      2.00000
     79      -7.8118      2.00000
     80      -7.6811      2.00000
     81      -7.5540      2.00000
     82      -7.4741      2.00000
     83      -7.3130      2.00000
     84      -7.3117      2.00000
     85      -7.1559      2.00000
     86      -7.0877      2.00000
     87      -7.0732      2.00000
     88      -7.0407      2.00000
     89      -6.6481      2.00000
     90      -6.5510      2.00000
     91      -6.5121      2.00000
     92      -6.5111      2.00000
     93      -6.4560      2.00000
     94      -6.2323      2.00000
     95      -6.1286      2.00000
     96      -6.0361      2.00000
     97      -5.9177      2.00000
     98      -5.8537      2.00000
     99      -5.8014      2.00000
    100      -5.6590      2.00000
    101      -5.6256      2.00000
    102      -5.6002      2.00000
    103      -5.4605      2.00000
    104      -5.4391      2.00000
    105      -5.3251      2.00000
    106      -5.3123      2.00000
    107      -5.3063      2.00000
    108      -5.2387      2.00000
    109      -5.2075      2.00000
    110      -5.1365      2.00000
    111      -5.0497      2.00000
    112      -4.9642      2.00000
    113      -4.8237      2.00000
    114      -4.6864      2.00000
    115      -4.6660      2.00000
    116      -4.6339      2.00000
    117      -4.6018      2.00000
    118      -4.4821      2.00000
    119      -4.4800      2.00000
    120      -4.4194      2.00000
    121      -4.2401      2.00000
    122      -4.0982      2.00000
    123      -3.9656      2.00000
    124      -3.7366      2.00000
    125      -3.6949      2.00000
    126      -3.5977      2.00000
    127      -3.5940      2.00000
    128      -3.5769      2.00000
    129      -2.8003      2.00000
    130      -2.6177      2.00000
    131      -2.5424      2.00000
    132      -2.5252      2.00000
    133      -2.4247      2.00000
    134      -2.4097      2.00000
    135      -2.2600      2.00000
    136      -2.1750      2.00000
    137      -1.9221      2.00000
    138      -1.8435      2.00000
    139      -1.8255      2.00000
    140      -1.7974      2.00000
    141      -1.7714      2.00000
    142      -1.7173      2.00000
    143      -1.6761      2.00000
    144      -1.5739      2.00000
    145      -1.5497      2.00000
    146      -1.4814      2.00000
    147      -1.4455      2.00000
    148      -1.3590      2.00000
    149      -1.3323      2.00000
    150      -1.3246      2.00000
    151      -1.2429      2.00000
    152      -1.2423      2.00000
    153      -1.2263      2.00000
    154      -1.1789      2.00000
    155      -1.1315      2.00000
    156      -1.1055      2.00000
    157      -1.1016      2.00000
    158      -1.0662      2.00000
    159      -0.9102      2.00000
    160      -0.8993      2.00000
    161      -0.8701      2.00000
    162      -0.8156      2.00000
    163      -0.8091      2.00000
    164      -0.7708      2.00000
    165      -0.7575      2.00000
    166      -0.7560      2.00000
    167      -0.7273      2.00000
    168      -0.6788      2.00000
    169      -0.6495      2.00000
    170      -0.5999      2.00000
    171      -0.5762      2.00000
    172      -0.5227      2.00000
    173      -0.4974      2.00000
    174      -0.4931      2.00000
    175      -0.4509      2.00000
    176      -0.3050      2.00000
    177      -0.1460      2.00000
    178      -0.0232      2.00000
    179       0.1814      2.00000
    180       0.1974      2.00000
    181       0.2657      2.00000
    182       0.3636      2.00000
    183       0.4464      2.00000
    184       0.5123      2.00000
    185       5.0778      0.00000
    186       5.7780      0.00000
    187       5.9388      0.00000
    188       6.0824      0.00000
    189       6.1464      0.00000
    190       6.2097      0.00000
    191       6.5226      0.00000
    192       6.5562      0.00000
    193       6.6163      0.00000
    194       6.9600      0.00000
    195       7.1295      0.00000
    196       7.3866      0.00000
    197       7.4606      0.00000
    198       7.6280      0.00000
    199       7.6926      0.00000
    200       8.2992      0.00000
    201       8.5237      0.00000
    202       8.5916      0.00000
    203       8.8024      0.00000
    204       8.8801      0.00000
    205       9.2818      0.00000
    206       9.3339      0.00000
    207       9.3671      0.00000
    208       9.4313      0.00000
    209       9.7014      0.00000
    210       9.8374      0.00000
    211       9.8708      0.00000
    212      10.0589      0.00000
    213      10.2349      0.00000
    214      10.2914      0.00000
    215      10.3318      0.00000
    216      10.5206      0.00000
    217      10.7120      0.00000
    218      10.8166      0.00000
    219      11.0656      0.00000
    220      11.0988      0.00000
    221      11.1688      0.00000
    222      11.1770      0.00000
    223      11.2066      0.00000
    224      11.2298      0.00000
    225      11.3005      0.00000
    226      11.4115      0.00000
    227      11.5572      0.00000
    228      11.5922      0.00000
    229      11.6869      0.00000
    230      11.7104      0.00000
    231      11.7282      0.00000
    232      11.7656      0.00000
    233      11.8717      0.00000
    234      11.9299      0.00000
    235      11.9854      0.00000
    236      11.9876      0.00000
    237      12.1203      0.00000
    238      12.1970      0.00000
    239      12.2248      0.00000
    240      12.3405      0.00000
    241      12.3729      0.00000
    242      12.4124      0.00000
    243      12.5654      0.00000
    244      12.5891      0.00000
    245      12.6432      0.00000
    246      12.6900      0.00000
    247      12.7911      0.00000
    248      12.8409      0.00000
    249      12.8906      0.00000
    250      12.9114      0.00000
    251      13.0390      0.00000
    252      13.1126      0.00000
    253      13.1139      0.00000
    254      13.2225      0.00000
    255      13.2651      0.00000
    256      13.3482      0.00000

 k-point    24 :       0.1667    0.0000    0.1250
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2783      2.00000
     42     -21.1868      2.00000
     43     -21.1822      2.00000
     44     -21.1743      2.00000
     45     -20.9706      2.00000
     46     -20.9367      2.00000
     47     -20.9039      2.00000
     48     -20.8838      2.00000
     49     -19.3185      2.00000
     50     -19.2966      2.00000
     51     -19.2933      2.00000
     52     -19.2701      2.00000
     53     -18.7127      2.00000
     54     -18.6724      2.00000
     55     -18.6720      2.00000
     56     -18.6387      2.00000
     57     -18.2878      2.00000
     58     -18.2176      2.00000
     59     -18.2030      2.00000
     60     -18.1522      2.00000
     61     -18.1171      2.00000
     62     -18.1062      2.00000
     63     -18.0719      2.00000
     64     -18.0285      2.00000
     65     -17.9017      2.00000
     66     -17.8889      2.00000
     67     -17.8683      2.00000
     68     -17.8524      2.00000
     69     -17.8053      2.00000
     70     -17.7302      2.00000
     71     -17.6801      2.00000
     72     -17.6303      2.00000
     73     -17.3200      2.00000
     74     -17.3097      2.00000
     75     -17.2873      2.00000
     76     -17.2761      2.00000
     77      -8.2761      2.00000
     78      -7.8742      2.00000
     79      -7.8182      2.00000
     80      -7.6715      2.00000
     81      -7.4984      2.00000
     82      -7.4793      2.00000
     83      -7.3168      2.00000
     84      -7.2923      2.00000
     85      -7.1533      2.00000
     86      -7.1217      2.00000
     87      -7.0683      2.00000
     88      -7.0280      2.00000
     89      -6.6600      2.00000
     90      -6.5553      2.00000
     91      -6.5517      2.00000
     92      -6.5106      2.00000
     93      -6.4510      2.00000
     94      -6.2385      2.00000
     95      -6.1276      2.00000
     96      -6.0420      2.00000
     97      -5.9491      2.00000
     98      -5.8747      2.00000
     99      -5.7878      2.00000
    100      -5.6400      2.00000
    101      -5.5979      2.00000
    102      -5.5558      2.00000
    103      -5.4777      2.00000
    104      -5.4388      2.00000
    105      -5.3568      2.00000
    106      -5.3159      2.00000
    107      -5.2522      2.00000
    108      -5.2436      2.00000
    109      -5.1977      2.00000
    110      -5.1096      2.00000
    111      -5.0633      2.00000
    112      -4.9959      2.00000
    113      -4.8379      2.00000
    114      -4.7471      2.00000
    115      -4.6872      2.00000
    116      -4.6318      2.00000
    117      -4.5410      2.00000
    118      -4.5388      2.00000
    119      -4.4815      2.00000
    120      -4.3702      2.00000
    121      -4.2208      2.00000
    122      -4.1065      2.00000
    123      -3.9475      2.00000
    124      -3.7308      2.00000
    125      -3.6939      2.00000
    126      -3.6157      2.00000
    127      -3.6051      2.00000
    128      -3.5432      2.00000
    129      -2.7771      2.00000
    130      -2.6778      2.00000
    131      -2.5431      2.00000
    132      -2.4759      2.00000
    133      -2.4344      2.00000
    134      -2.3764      2.00000
    135      -2.2690      2.00000
    136      -2.1621      2.00000
    137      -1.9404      2.00000
    138      -1.9277      2.00000
    139      -1.8398      2.00000
    140      -1.7724      2.00000
    141      -1.7651      2.00000
    142      -1.7057      2.00000
    143      -1.6928      2.00000
    144      -1.5556      2.00000
    145      -1.5412      2.00000
    146      -1.4805      2.00000
    147      -1.4050      2.00000
    148      -1.3602      2.00000
    149      -1.3248      2.00000
    150      -1.3139      2.00000
    151      -1.2465      2.00000
    152      -1.2326      2.00000
    153      -1.1910      2.00000
    154      -1.1671      2.00000
    155      -1.1627      2.00000
    156      -1.1140      2.00000
    157      -1.1009      2.00000
    158      -1.0575      2.00000
    159      -0.9697      2.00000
    160      -0.9196      2.00000
    161      -0.8923      2.00000
    162      -0.8309      2.00000
    163      -0.7859      2.00000
    164      -0.7853      2.00000
    165      -0.7583      2.00000
    166      -0.7525      2.00000
    167      -0.7389      2.00000
    168      -0.6597      2.00000
    169      -0.6567      2.00000
    170      -0.5794      2.00000
    171      -0.5657      2.00000
    172      -0.5373      2.00000
    173      -0.5293      2.00000
    174      -0.4801      2.00000
    175      -0.4267      2.00000
    176      -0.3076      2.00000
    177      -0.1442      2.00000
    178      -0.0250      2.00000
    179       0.1706      2.00000
    180       0.2088      2.00000
    181       0.2522      2.00000
    182       0.3721      2.00000
    183       0.4582      2.00000
    184       0.5179      2.00000
    185       5.1883      0.00000
    186       5.7814      0.00000
    187       5.8683      0.00000
    188       6.1200      0.00000
    189       6.1461      0.00000
    190       6.1978      0.00000
    191       6.3592      0.00000
    192       6.5402      0.00000
    193       6.6072      0.00000
    194       6.9580      0.00000
    195       7.0897      0.00000
    196       7.3013      0.00000
    197       7.5132      0.00000
    198       7.6974      0.00000
    199       7.8722      0.00000
    200       8.2180      0.00000
    201       8.5140      0.00000
    202       8.6177      0.00000
    203       8.7115      0.00000
    204       8.9439      0.00000
    205       9.2011      0.00000
    206       9.3583      0.00000
    207       9.5526      0.00000
    208       9.5697      0.00000
    209       9.7781      0.00000
    210       9.8309      0.00000
    211       9.8813      0.00000
    212      10.1116      0.00000
    213      10.1298      0.00000
    214      10.2881      0.00000
    215      10.3137      0.00000
    216      10.6534      0.00000
    217      10.6634      0.00000
    218      10.7151      0.00000
    219      10.8416      0.00000
    220      10.9892      0.00000
    221      11.0050      0.00000
    222      11.1107      0.00000
    223      11.1682      0.00000
    224      11.2562      0.00000
    225      11.3619      0.00000
    226      11.4522      0.00000
    227      11.4661      0.00000
    228      11.5290      0.00000
    229      11.6729      0.00000
    230      11.6887      0.00000
    231      11.7291      0.00000
    232      11.8147      0.00000
    233      11.8692      0.00000
    234      11.9854      0.00000
    235      12.1079      0.00000
    236      12.1658      0.00000
    237      12.1712      0.00000
    238      12.2276      0.00000
    239      12.2535      0.00000
    240      12.2956      0.00000
    241      12.3694      0.00000
    242      12.4991      0.00000
    243      12.5144      0.00000
    244      12.6185      0.00000
    245      12.6661      0.00000
    246      12.7474      0.00000
    247      12.8059      0.00000
    248      12.8349      0.00000
    249      12.9225      0.00000
    250      12.9511      0.00000
    251      12.9993      0.00000
    252      13.0953      0.00000
    253      13.1061      0.00000
    254      13.2004      0.00000
    255      13.2568      0.00000
    256      13.3500      0.00000

 k-point    25 :       0.3333    0.0000    0.1250
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
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     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
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     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
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     60     -18.1524      2.00000
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     77      -8.2911      2.00000
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     95      -6.1265      2.00000
     96      -6.0455      2.00000
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     98      -5.8928      2.00000
     99      -5.7584      2.00000
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    182       0.3830      2.00000
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    184       0.5249      2.00000
    185       5.3718      0.00000
    186       5.7858      0.00000
    187       5.8093      0.00000
    188       6.0851      0.00000
    189       6.1480      0.00000
    190       6.1553      0.00000
    191       6.1757      0.00000
    192       6.5214      0.00000
    193       6.6013      0.00000
    194       6.9519      0.00000
    195       7.0740      0.00000
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    197       7.5866      0.00000
    198       7.7749      0.00000
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    200       8.1694      0.00000
    201       8.4865      0.00000
    202       8.6683      0.00000
    203       8.7125      0.00000
    204       8.9262      0.00000
    205       9.2678      0.00000
    206       9.4702      0.00000
    207       9.5445      0.00000
    208       9.6771      0.00000
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    210       9.8458      0.00000
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    212      10.0641      0.00000
    213      10.2381      0.00000
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    240      12.2922      0.00000
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    253      13.1927      0.00000
    254      13.1948      0.00000
    255      13.2945      0.00000
    256      13.3689      0.00000

 k-point    26 :       0.5000    0.0000    0.1250
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2763      2.00000
     42     -21.1869      2.00000
     43     -21.1824      2.00000
     44     -21.1743      2.00000
     45     -20.9725      2.00000
     46     -20.9367      2.00000
     47     -20.9047      2.00000
     48     -20.8838      2.00000
     49     -19.3165      2.00000
     50     -19.2970      2.00000
     51     -19.2877      2.00000
     52     -19.2750      2.00000
     53     -18.7031      2.00000
     54     -18.6781      2.00000
     55     -18.6743      2.00000
     56     -18.6343      2.00000
     57     -18.2879      2.00000
     58     -18.2188      2.00000
     59     -18.2158      2.00000
     60     -18.1527      2.00000
     61     -18.1192      2.00000
     62     -18.1060      2.00000
     63     -18.0713      2.00000
     64     -18.0271      2.00000
     65     -17.9024      2.00000
     66     -17.8884      2.00000
     67     -17.8632      2.00000
     68     -17.8536      2.00000
     69     -17.8037      2.00000
     70     -17.7302      2.00000
     71     -17.6797      2.00000
     72     -17.6304      2.00000
     73     -17.3077      2.00000
     74     -17.2985      2.00000
     75     -17.2972      2.00000
     76     -17.2879      2.00000
     77      -8.2924      2.00000
     78      -7.8740      2.00000
     79      -7.8068      2.00000
     80      -7.6740      2.00000
     81      -7.4642      2.00000
     82      -7.3909      2.00000
     83      -7.3595      2.00000
     84      -7.3297      2.00000
     85      -7.1463      2.00000
     86      -7.1272      2.00000
     87      -7.0688      2.00000
     88      -7.0354      2.00000
     89      -6.6792      2.00000
     90      -6.5955      2.00000
     91      -6.5340      2.00000
     92      -6.5238      2.00000
     93      -6.4672      2.00000
     94      -6.2434      2.00000
     95      -6.1267      2.00000
     96      -6.0435      2.00000
     97      -5.9720      2.00000
     98      -5.8878      2.00000
     99      -5.7471      2.00000
    100      -5.6055      2.00000
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    188       6.0428      0.00000
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    190       6.1530      0.00000
    191       6.1690      0.00000
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    206       9.4752      0.00000
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    208       9.6635      0.00000
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    211      10.0156      0.00000
    212      10.0941      0.00000
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    223      11.0495      0.00000
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    225      11.2076      0.00000
    226      11.3681      0.00000
    227      11.4207      0.00000
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    230      11.7530      0.00000
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    232      11.8492      0.00000
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    236      12.1852      0.00000
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    255      13.3589      0.00000
    256      13.3991      0.00000

 k-point    27 :      -0.3333    0.0000    0.1250
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2778      2.00000
     42     -21.1868      2.00000
     43     -21.1822      2.00000
     44     -21.1743      2.00000
     45     -20.9710      2.00000
     46     -20.9368      2.00000
     47     -20.9041      2.00000
     48     -20.8838      2.00000
     49     -19.3177      2.00000
     50     -19.2976      2.00000
     51     -19.2920      2.00000
     52     -19.2716      2.00000
     53     -18.7109      2.00000
     54     -18.6718      2.00000
     55     -18.6710      2.00000
     56     -18.6378      2.00000
     57     -18.2878      2.00000
     58     -18.2196      2.00000
     59     -18.2078      2.00000
     60     -18.1525      2.00000
     61     -18.1168      2.00000
     62     -18.1054      2.00000
     63     -18.0708      2.00000
     64     -18.0282      2.00000
     65     -17.9013      2.00000
     66     -17.8904      2.00000
     67     -17.8665      2.00000
     68     -17.8530      2.00000
     69     -17.8048      2.00000
     70     -17.7307      2.00000
     71     -17.6799      2.00000
     72     -17.6302      2.00000
     73     -17.3179      2.00000
     74     -17.3078      2.00000
     75     -17.2889      2.00000
     76     -17.2777      2.00000
     77      -8.2789      2.00000
     78      -7.8694      2.00000
     79      -7.7993      2.00000
     80      -7.6849      2.00000
     81      -7.4747      2.00000
     82      -7.4574      2.00000
     83      -7.3578      2.00000
     84      -7.3236      2.00000
     85      -7.1492      2.00000
     86      -7.0993      2.00000
     87      -7.0727      2.00000
     88      -7.0392      2.00000
     89      -6.6592      2.00000
     90      -6.5651      2.00000
     91      -6.5423      2.00000
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    110      -5.0780      2.00000
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    114      -4.7829      2.00000
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    255      13.3090      0.00000
    256      13.4394      0.00000

 k-point    28 :      -0.1667    0.0000    0.1250
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
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      6     -72.2767      2.00000
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      8     -72.2763      2.00000
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     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2795      2.00000
     42     -21.1867      2.00000
     43     -21.1821      2.00000
     44     -21.1743      2.00000
     45     -20.9693      2.00000
     46     -20.9368      2.00000
     47     -20.9034      2.00000
     48     -20.8838      2.00000
     49     -19.3193      2.00000
     50     -19.2977      2.00000
     51     -19.2957      2.00000
     52     -19.2687      2.00000
     53     -18.7176      2.00000
     54     -18.6677      2.00000
     55     -18.6676      2.00000
     56     -18.6426      2.00000
     57     -18.2876      2.00000
     58     -18.2194      2.00000
     59     -18.1969      2.00000
     60     -18.1522      2.00000
     61     -18.1146      2.00000
     62     -18.1052      2.00000
     63     -18.0713      2.00000
     64     -18.0294      2.00000
     65     -17.9004      2.00000
     66     -17.8918      2.00000
     67     -17.8707      2.00000
     68     -17.8521      2.00000
     69     -17.8060      2.00000
     70     -17.7309      2.00000
     71     -17.6802      2.00000
     72     -17.6300      2.00000
     73     -17.3246      2.00000
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     75     -17.2831      2.00000
     76     -17.2716      2.00000
     77      -8.2628      2.00000
     78      -7.8671      2.00000
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     80      -7.6881      2.00000
     81      -7.5448      2.00000
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     84      -7.3237      2.00000
     85      -7.1540      2.00000
     86      -7.0752      2.00000
     87      -7.0687      2.00000
     88      -7.0549      2.00000
     89      -6.6471      2.00000
     90      -6.5455      2.00000
     91      -6.5160      2.00000
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     93      -6.4659      2.00000
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     95      -6.1286      2.00000
     96      -6.0340      2.00000
     97      -5.9188      2.00000
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     99      -5.7935      2.00000
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    190       6.2048      0.00000
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    212      10.0493      0.00000
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    225      11.2612      0.00000
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 k-point    29 :      -0.0000    0.1429    0.1250
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2760      2.00000
     42     -21.1922      2.00000
     43     -21.1851      2.00000
     44     -21.1697      2.00000
     45     -20.9660      2.00000
     46     -20.9342      2.00000
     47     -20.9067      2.00000
     48     -20.8865      2.00000
     49     -19.3190      2.00000
     50     -19.2987      2.00000
     51     -19.2943      2.00000
     52     -19.2691      2.00000
     53     -18.7155      2.00000
     54     -18.6705      2.00000
     55     -18.6665      2.00000
     56     -18.6440      2.00000
     57     -18.2808      2.00000
     58     -18.2137      2.00000
     59     -18.1927      2.00000
     60     -18.1565      2.00000
     61     -18.1230      2.00000
     62     -18.1089      2.00000
     63     -18.0687      2.00000
     64     -18.0308      2.00000
     65     -17.8996      2.00000
     66     -17.8904      2.00000
     67     -17.8710      2.00000
     68     -17.8527      2.00000
     69     -17.8029      2.00000
     70     -17.7249      2.00000
     71     -17.6882      2.00000
     72     -17.6346      2.00000
     73     -17.3223      2.00000
     74     -17.3128      2.00000
     75     -17.2843      2.00000
     76     -17.2727      2.00000
     77      -8.2438      2.00000
     78      -7.8570      2.00000
     79      -7.8374      2.00000
     80      -7.6698      2.00000
     81      -7.5597      2.00000
     82      -7.4638      2.00000
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     84      -7.2979      2.00000
     85      -7.1527      2.00000
     86      -7.0855      2.00000
     87      -7.0761      2.00000
     88      -7.0409      2.00000
     89      -6.6424      2.00000
     90      -6.5499      2.00000
     91      -6.5240      2.00000
     92      -6.5112      2.00000
     93      -6.4519      2.00000
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     95      -6.1269      2.00000
     96      -6.0467      2.00000
     97      -5.9234      2.00000
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    180       0.1953      2.00000
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    182       0.3716      2.00000
    183       0.4379      2.00000
    184       0.5054      2.00000
    185       5.1359      0.00000
    186       5.7840      0.00000
    187       5.9359      0.00000
    188       6.0977      0.00000
    189       6.1495      0.00000
    190       6.2067      0.00000
    191       6.4715      0.00000
    192       6.5363      0.00000
    193       6.6267      0.00000
    194       6.9377      0.00000
    195       7.1511      0.00000
    196       7.2476      0.00000
    197       7.4606      0.00000
    198       7.5853      0.00000
    199       7.9269      0.00000
    200       8.2965      0.00000
    201       8.4834      0.00000
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    203       8.7434      0.00000
    204       8.8728      0.00000
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    206       9.2848      0.00000
    207       9.4825      0.00000
    208       9.6121      0.00000
    209       9.6862      0.00000
    210       9.8370      0.00000
    211       9.9825      0.00000
    212      10.0305      0.00000
    213      10.2272      0.00000
    214      10.2866      0.00000
    215      10.3452      0.00000
    216      10.6039      0.00000
    217      10.6879      0.00000
    218      10.8540      0.00000
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    224      11.2931      0.00000
    225      11.3073      0.00000
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    227      11.4672      0.00000
    228      11.5757      0.00000
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    234      11.9007      0.00000
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    236      12.0072      0.00000
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    238      12.2021      0.00000
    239      12.2505      0.00000
    240      12.2956      0.00000
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    256      13.3413      0.00000

 k-point    30 :       0.1667    0.1429    0.1250
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      2     -72.4432      2.00000
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      4     -72.4426      2.00000
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      6     -72.2767      2.00000
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      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2746      2.00000
     42     -21.1922      2.00000
     43     -21.1852      2.00000
     44     -21.1698      2.00000
     45     -20.9675      2.00000
     46     -20.9342      2.00000
     47     -20.9074      2.00000
     48     -20.8865      2.00000
     49     -19.3178      2.00000
     50     -19.2982      2.00000
     51     -19.2916      2.00000
     52     -19.2708      2.00000
     53     -18.7102      2.00000
     54     -18.6747      2.00000
     55     -18.6695      2.00000
     56     -18.6403      2.00000
     57     -18.2811      2.00000
     58     -18.2130      2.00000
     59     -18.2009      2.00000
     60     -18.1571      2.00000
     61     -18.1252      2.00000
     62     -18.1095      2.00000
     63     -18.0685      2.00000
     64     -18.0298      2.00000
     65     -17.9008      2.00000
     66     -17.8889      2.00000
     67     -17.8674      2.00000
     68     -17.8526      2.00000
     69     -17.8020      2.00000
     70     -17.7245      2.00000
     71     -17.6879      2.00000
     72     -17.6348      2.00000
     73     -17.3175      2.00000
     74     -17.3079      2.00000
     75     -17.2885      2.00000
     76     -17.2774      2.00000
     77      -8.2584      2.00000
     78      -7.8783      2.00000
     79      -7.8240      2.00000
     80      -7.6610      2.00000
     81      -7.5209      2.00000
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     83      -7.3410      2.00000
     84      -7.2892      2.00000
     85      -7.1467      2.00000
     86      -7.1140      2.00000
     87      -7.0706      2.00000
     88      -7.0302      2.00000
     89      -6.6556      2.00000
     90      -6.5607      2.00000
     91      -6.5508      2.00000
     92      -6.5114      2.00000
     93      -6.4494      2.00000
     94      -6.2542      2.00000
     95      -6.1319      2.00000
     96      -6.0536      2.00000
     97      -5.9455      2.00000
     98      -5.8646      2.00000
     99      -5.7920      2.00000
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    106      -5.3000      2.00000
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    108      -5.2213      2.00000
    109      -5.1942      2.00000
    110      -5.1191      2.00000
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    150      -1.2839      2.00000
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    184       0.5110      2.00000
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    186       5.7873      0.00000
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    188       6.1120      0.00000
    189       6.1555      0.00000
    190       6.2015      0.00000
    191       6.3555      0.00000
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    193       6.6216      0.00000
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    200       8.2500      0.00000
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    202       8.6036      0.00000
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    205       9.1402      0.00000
    206       9.3600      0.00000
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    208       9.6987      0.00000
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    210       9.8528      0.00000
    211      10.0347      0.00000
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    225      11.3518      0.00000
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 k-point    31 :       0.3333    0.1429    0.1250
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
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     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2729      2.00000
     42     -21.1922      2.00000
     43     -21.1853      2.00000
     44     -21.1699      2.00000
     45     -20.9692      2.00000
     46     -20.9342      2.00000
     47     -20.9081      2.00000
     48     -20.8865      2.00000
     49     -19.3163      2.00000
     50     -19.2980      2.00000
     51     -19.2876      2.00000
     52     -19.2740      2.00000
     53     -18.7024      2.00000
     54     -18.6789      2.00000
     55     -18.6727      2.00000
     56     -18.6368      2.00000
     57     -18.2814      2.00000
     58     -18.2134      2.00000
     59     -18.2108      2.00000
     60     -18.1578      2.00000
     61     -18.1273      2.00000
     62     -18.1095      2.00000
     63     -18.0682      2.00000
     64     -18.0287      2.00000
     65     -17.9019      2.00000
     66     -17.8885      2.00000
     67     -17.8631      2.00000
     68     -17.8521      2.00000
     69     -17.8011      2.00000
     70     -17.7243      2.00000
     71     -17.6874      2.00000
     72     -17.6350      2.00000
     73     -17.3088      2.00000
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     77      -8.2731      2.00000
     78      -7.8887      2.00000
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     80      -7.6563      2.00000
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     84      -7.3004      2.00000
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     86      -7.1210      2.00000
     87      -7.0701      2.00000
     88      -7.0318      2.00000
     89      -6.6748      2.00000
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     92      -6.5190      2.00000
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     95      -6.1365      2.00000
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    253      13.2069      0.00000
    254      13.2202      0.00000
    255      13.2483      0.00000
    256      13.3682      0.00000

 k-point    32 :       0.5000    0.1429    0.1250
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2727      2.00000
     42     -21.1922      2.00000
     43     -21.1853      2.00000
     44     -21.1699      2.00000
     45     -20.9694      2.00000
     46     -20.9342      2.00000
     47     -20.9082      2.00000
     48     -20.8865      2.00000
     49     -19.3159      2.00000
     50     -19.2984      2.00000
     51     -19.2866      2.00000
     52     -19.2751      2.00000
     53     -18.7013      2.00000
     54     -18.6789      2.00000
     55     -18.6722      2.00000
     56     -18.6364      2.00000
     57     -18.2813      2.00000
     58     -18.2144      2.00000
     59     -18.2131      2.00000
     60     -18.1581      2.00000
     61     -18.1272      2.00000
     62     -18.1091      2.00000
     63     -18.0678      2.00000
     64     -18.0285      2.00000
     65     -17.9018      2.00000
     66     -17.8894      2.00000
     67     -17.8625      2.00000
     68     -17.8517      2.00000
     69     -17.8010      2.00000
     70     -17.7245      2.00000
     71     -17.6873      2.00000
     72     -17.6350      2.00000
     73     -17.3065      2.00000
     74     -17.2985      2.00000
     75     -17.2966      2.00000
     76     -17.2881      2.00000
     77      -8.2743      2.00000
     78      -7.8863      2.00000
     79      -7.8052      2.00000
     80      -7.6610      2.00000
     81      -7.4697      2.00000
     82      -7.3970      2.00000
     83      -7.3762      2.00000
     84      -7.3224      2.00000
     85      -7.1478      2.00000
     86      -7.1130      2.00000
     87      -7.0725      2.00000
     88      -7.0355      2.00000
     89      -6.6754      2.00000
     90      -6.5994      2.00000
     91      -6.5319      2.00000
     92      -6.5264      2.00000
     93      -6.4606      2.00000
     94      -6.2584      2.00000
     95      -6.1369      2.00000
     96      -6.0552      2.00000
     97      -5.9624      2.00000
     98      -5.8819      2.00000
     99      -5.7498      2.00000
    100      -5.6394      2.00000
    101      -5.6124      2.00000
    102      -5.5346      2.00000
    103      -5.4638      2.00000
    104      -5.3830      2.00000
    105      -5.3459      2.00000
    106      -5.3151      2.00000
    107      -5.2973      2.00000
    108      -5.1823      2.00000
    109      -5.1441      2.00000
    110      -5.1016      2.00000
    111      -5.0520      2.00000
    112      -5.0335      2.00000
    113      -4.8819      2.00000
    114      -4.8286      2.00000
    115      -4.7417      2.00000
    116      -4.6309      2.00000
    117      -4.5796      2.00000
    118      -4.5466      2.00000
    119      -4.4598      2.00000
    120      -4.3458      2.00000
    121      -4.1786      2.00000
    122      -4.1328      2.00000
    123      -3.8673      2.00000
    124      -3.7882      2.00000
    125      -3.6624      2.00000
    126      -3.6380      2.00000
    127      -3.5922      2.00000
    128      -3.5030      2.00000
    129      -2.7272      2.00000
    130      -2.6846      2.00000
    131      -2.5687      2.00000
    132      -2.4744      2.00000
    133      -2.3953      2.00000
    134      -2.3681      2.00000
    135      -2.1574      2.00000
    136      -2.1332      2.00000
    137      -2.0904      2.00000
    138      -1.8807      2.00000
    139      -1.8436      2.00000
    140      -1.7843      2.00000
    141      -1.7508      2.00000
    142      -1.7185      2.00000
    143      -1.7096      2.00000
    144      -1.6057      2.00000
    145      -1.5298      2.00000
    146      -1.4642      2.00000
    147      -1.4064      2.00000
    148      -1.3633      2.00000
    149      -1.3418      2.00000
    150      -1.2882      2.00000
    151      -1.2588      2.00000
    152      -1.2113      2.00000
    153      -1.1760      2.00000
    154      -1.1563      2.00000
    155      -1.1514      2.00000
    156      -1.1201      2.00000
    157      -1.0911      2.00000
    158      -1.0814      2.00000
    159      -1.0533      2.00000
    160      -1.0095      2.00000
    161      -0.8839      2.00000
    162      -0.8376      2.00000
    163      -0.8194      2.00000
    164      -0.7713      2.00000
    165      -0.7681      2.00000
    166      -0.7596      2.00000
    167      -0.7038      2.00000
    168      -0.6469      2.00000
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    170      -0.6098      2.00000
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    172      -0.5642      2.00000
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    174      -0.4487      2.00000
    175      -0.3877      2.00000
    176      -0.2739      2.00000
    177      -0.1517      2.00000
    178      -0.0167      2.00000
    179       0.1307      2.00000
    180       0.1950      2.00000
    181       0.2717      2.00000
    182       0.3923      2.00000
    183       0.4613      2.00000
    184       0.5194      2.00000
    185       5.4547      0.00000
    186       5.7836      0.00000
    187       5.8466      0.00000
    188       6.0538      0.00000
    189       6.1250      0.00000
    190       6.1607      0.00000
    191       6.1925      0.00000
    192       6.4976      0.00000
    193       6.6141      0.00000
    194       6.9108      0.00000
    195       7.0808      0.00000
    196       7.2344      0.00000
    197       7.4678      0.00000
    198       7.5701      0.00000
    199       8.0773      0.00000
    200       8.3381      0.00000
    201       8.4899      0.00000
    202       8.6626      0.00000
    203       8.8136      0.00000
    204       8.9252      0.00000
    205       9.2067      0.00000
    206       9.4054      0.00000
    207       9.5780      0.00000
    208       9.6847      0.00000
    209       9.7645      0.00000
    210       9.8855      0.00000
    211      10.0252      0.00000
    212      10.0831      0.00000
    213      10.2300      0.00000
    214      10.3513      0.00000
    215      10.3832      0.00000
    216      10.5611      0.00000
    217      10.5991      0.00000
    218      10.6895      0.00000
    219      10.7816      0.00000
    220      10.8755      0.00000
    221      10.9461      0.00000
    222      11.0310      0.00000
    223      11.0454      0.00000
    224      11.1580      0.00000
    225      11.2244      0.00000
    226      11.3512      0.00000
    227      11.3958      0.00000
    228      11.5264      0.00000
    229      11.5602      0.00000
    230      11.6304      0.00000
    231      11.7712      0.00000
    232      11.8681      0.00000
    233      11.9231      0.00000
    234      11.9891      0.00000
    235      12.0609      0.00000
    236      12.1225      0.00000
    237      12.2164      0.00000
    238      12.2435      0.00000
    239      12.3179      0.00000
    240      12.3789      0.00000
    241      12.4220      0.00000
    242      12.4672      0.00000
    243      12.5582      0.00000
    244      12.6192      0.00000
    245      12.6824      0.00000
    246      12.8146      0.00000
    247      12.8908      0.00000
    248      12.9402      0.00000
    249      12.9779      0.00000
    250      13.0633      0.00000
    251      13.0953      0.00000
    252      13.1569      0.00000
    253      13.1806      0.00000
    254      13.2551      0.00000
    255      13.3624      0.00000
    256      13.4032      0.00000

 k-point    33 :      -0.3333    0.1429    0.1250
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2741      2.00000
     42     -21.1922      2.00000
     43     -21.1852      2.00000
     44     -21.1698      2.00000
     45     -20.9679      2.00000
     46     -20.9342      2.00000
     47     -20.9076      2.00000
     48     -20.8865      2.00000
     49     -19.3171      2.00000
     50     -19.2990      2.00000
     51     -19.2904      2.00000
     52     -19.2722      2.00000
     53     -18.7086      2.00000
     54     -18.6742      2.00000
     55     -18.6684      2.00000
     56     -18.6396      2.00000
     57     -18.2810      2.00000
     58     -18.2148      2.00000
     59     -18.2057      2.00000
     60     -18.1575      2.00000
     61     -18.1250      2.00000
     62     -18.1086      2.00000
     63     -18.0675      2.00000
     64     -18.0295      2.00000
     65     -17.9006      2.00000
     66     -17.8907      2.00000
     67     -17.8660      2.00000
     68     -17.8519      2.00000
     69     -17.8020      2.00000
     70     -17.7249      2.00000
     71     -17.6876      2.00000
     72     -17.6348      2.00000
     73     -17.3156      2.00000
     74     -17.3062      2.00000
     75     -17.2899      2.00000
     76     -17.2788      2.00000
     77      -8.2610      2.00000
     78      -7.8738      2.00000
     79      -7.8093      2.00000
     80      -7.6701      2.00000
     81      -7.4908      2.00000
     82      -7.4419      2.00000
     83      -7.3735      2.00000
     84      -7.3208      2.00000
     85      -7.1470      2.00000
     86      -7.1014      2.00000
     87      -7.0705      2.00000
     88      -7.0394      2.00000
     89      -6.6544      2.00000
     90      -6.5716      2.00000
     91      -6.5403      2.00000
     92      -6.5180      2.00000
     93      -6.4583      2.00000
     94      -6.2543      2.00000
     95      -6.1328      2.00000
     96      -6.0484      2.00000
     97      -5.9445      2.00000
     98      -5.8605      2.00000
     99      -5.7647      2.00000
    100      -5.6600      2.00000
    101      -5.6268      2.00000
    102      -5.5376      2.00000
    103      -5.4692      2.00000
    104      -5.4097      2.00000
    105      -5.3506      2.00000
    106      -5.3157      2.00000
    107      -5.2659      2.00000
    108      -5.2056      2.00000
    109      -5.1987      2.00000
    110      -5.0953      2.00000
    111      -5.0632      2.00000
    112      -4.9807      2.00000
    113      -4.8651      2.00000
    114      -4.7837      2.00000
    115      -4.7369      2.00000
    116      -4.6408      2.00000
    117      -4.5522      2.00000
    118      -4.5466      2.00000
    119      -4.4737      2.00000
    120      -4.3675      2.00000
    121      -4.2058      2.00000
    122      -4.1211      2.00000
    123      -3.8906      2.00000
    124      -3.7788      2.00000
    125      -3.6675      2.00000
    126      -3.6255      2.00000
    127      -3.5882      2.00000
    128      -3.5238      2.00000
    129      -2.7304      2.00000
    130      -2.6853      2.00000
    131      -2.5287      2.00000
    132      -2.4826      2.00000
    133      -2.4428      2.00000
    134      -2.3825      2.00000
    135      -2.1838      2.00000
    136      -2.1685      2.00000
    137      -1.9708      2.00000
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    140      -1.7733      2.00000
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    142      -1.7459      2.00000
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    144      -1.5896      2.00000
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    146      -1.4929      2.00000
    147      -1.4061      2.00000
    148      -1.3882      2.00000
    149      -1.3307      2.00000
    150      -1.2860      2.00000
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    160      -0.9750      2.00000
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    180       0.1888      2.00000
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    182       0.3860      2.00000
    183       0.4520      2.00000
    184       0.5137      2.00000
    185       5.2868      0.00000
    186       5.7851      0.00000
    187       5.8723      0.00000
    188       6.1072      0.00000
    189       6.1564      0.00000
    190       6.1921      0.00000
    191       6.3024      0.00000
    192       6.5129      0.00000
    193       6.6191      0.00000
    194       6.9054      0.00000
    195       7.0761      0.00000
    196       7.2225      0.00000
    197       7.4892      0.00000
    198       7.6222      0.00000
    199       8.0044      0.00000
    200       8.3205      0.00000
    201       8.4848      0.00000
    202       8.5834      0.00000
    203       8.7893      0.00000
    204       8.9725      0.00000
    205       9.0837      0.00000
    206       9.3581      0.00000
    207       9.5372      0.00000
    208       9.6713      0.00000
    209       9.7443      0.00000
    210       9.8944      0.00000
    211      10.0626      0.00000
    212      10.0991      0.00000
    213      10.1811      0.00000
    214      10.3228      0.00000
    215      10.3594      0.00000
    216      10.5008      0.00000
    217      10.7094      0.00000
    218      10.7388      0.00000
    219      10.8845      0.00000
    220      10.9320      0.00000
    221      10.9496      0.00000
    222      11.1023      0.00000
    223      11.1884      0.00000
    224      11.1887      0.00000
    225      11.2282      0.00000
    226      11.3395      0.00000
    227      11.4662      0.00000
    228      11.5333      0.00000
    229      11.6421      0.00000
    230      11.6729      0.00000
    231      11.7222      0.00000
    232      11.8458      0.00000
    233      11.8661      0.00000
    234      11.9089      0.00000
    235      11.9722      0.00000
    236      12.0625      0.00000
    237      12.2099      0.00000
    238      12.2444      0.00000
    239      12.3224      0.00000
    240      12.3421      0.00000
    241      12.4292      0.00000
    242      12.4800      0.00000
    243      12.5755      0.00000
    244      12.6409      0.00000
    245      12.6571      0.00000
    246      12.7423      0.00000
    247      12.8169      0.00000
    248      12.8962      0.00000
    249      12.9329      0.00000
    250      13.0134      0.00000
    251      13.0675      0.00000
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    253      13.1700      0.00000
    254      13.1944      0.00000
    255      13.3663      0.00000
    256      13.4139      0.00000

 k-point    34 :      -0.1667    0.1429    0.1250
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2757      2.00000
     42     -21.1923      2.00000
     43     -21.1851      2.00000
     44     -21.1698      2.00000
     45     -20.9662      2.00000
     46     -20.9342      2.00000
     47     -20.9068      2.00000
     48     -20.8865      2.00000
     49     -19.3187      2.00000
     50     -19.2991      2.00000
     51     -19.2938      2.00000
     52     -19.2697      2.00000
     53     -18.7148      2.00000
     54     -18.6702      2.00000
     55     -18.6659      2.00000
     56     -18.6437      2.00000
     57     -18.2808      2.00000
     58     -18.2146      2.00000
     59     -18.1953      2.00000
     60     -18.1567      2.00000
     61     -18.1229      2.00000
     62     -18.1085      2.00000
     63     -18.0680      2.00000
     64     -18.0306      2.00000
     65     -17.8995      2.00000
     66     -17.8913      2.00000
     67     -17.8702      2.00000
     68     -17.8523      2.00000
     69     -17.8029      2.00000
     70     -17.7251      2.00000
     71     -17.6881      2.00000
     72     -17.6346      2.00000
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     74     -17.3121      2.00000
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     76     -17.2732      2.00000
     77      -8.2452      2.00000
     78      -7.8567      2.00000
     79      -7.8283      2.00000
     80      -7.6741      2.00000
     81      -7.5489      2.00000
     82      -7.4570      2.00000
     83      -7.3539      2.00000
     84      -7.3141      2.00000
     85      -7.1518      2.00000
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     87      -7.0624      2.00000
     88      -7.0531      2.00000
     89      -6.6412      2.00000
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     95      -6.1277      2.00000
     96      -6.0442      2.00000
     97      -5.9229      2.00000
     98      -5.8397      2.00000
     99      -5.7813      2.00000
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    106      -5.3149      2.00000
    107      -5.2575      2.00000
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    110      -5.1180      2.00000
    111      -5.0605      2.00000
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    113      -4.8303      2.00000
    114      -4.7136      2.00000
    115      -4.7047      2.00000
    116      -4.6377      2.00000
    117      -4.5821      2.00000
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    120      -4.4071      2.00000
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    123      -3.9225      2.00000
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    128      -3.5549      2.00000
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    184       0.5068      2.00000
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    186       5.7834      0.00000
    187       5.9324      0.00000
    188       6.0931      0.00000
    189       6.1506      0.00000
    190       6.2020      0.00000
    191       6.4558      0.00000
    192       6.5326      0.00000
    193       6.6267      0.00000
    194       6.9286      0.00000
    195       7.1433      0.00000
    196       7.2589      0.00000
    197       7.4288      0.00000
    198       7.6078      0.00000
    199       7.9490      0.00000
    200       8.3580      0.00000
    201       8.3961      0.00000
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    203       8.8077      0.00000
    204       8.8665      0.00000
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    206       9.3042      0.00000
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    208       9.5775      0.00000
    209       9.7079      0.00000
    210       9.8659      0.00000
    211      10.0083      0.00000
    212      10.0432      0.00000
    213      10.2292      0.00000
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    215      10.3679      0.00000
    216      10.4761      0.00000
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    225      11.2968      0.00000
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    227      11.4855      0.00000
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    230      11.6430      0.00000
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    239      12.2803      0.00000
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    253      13.1866      0.00000
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    255      13.2913      0.00000
    256      13.4103      0.00000

 k-point    35 :      -0.0000    0.2857    0.1250
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2652      2.00000
     42     -21.2097      2.00000
     43     -21.1810      2.00000
     44     -21.1679      2.00000
     45     -20.9572      2.00000
     46     -20.9272      2.00000
     47     -20.9160      2.00000
     48     -20.8940      2.00000
     49     -19.3168      2.00000
     50     -19.3025      2.00000
     51     -19.2895      2.00000
     52     -19.2722      2.00000
     53     -18.7079      2.00000
     54     -18.6769      2.00000
     55     -18.6627      2.00000
     56     -18.6472      2.00000
     57     -18.2616      2.00000
     58     -18.2027      2.00000
     59     -18.1882      2.00000
     60     -18.1677      2.00000
     61     -18.1407      2.00000
     62     -18.1207      2.00000
     63     -18.0604      2.00000
     64     -18.0347      2.00000
     65     -17.8971      2.00000
     66     -17.8899      2.00000
     67     -17.8689      2.00000
     68     -17.8557      2.00000
     69     -17.7904      2.00000
     70     -17.7128      2.00000
     71     -17.7062      2.00000
     72     -17.6475      2.00000
     73     -17.3147      2.00000
     74     -17.3058      2.00000
     75     -17.2892      2.00000
     76     -17.2778      2.00000
     77      -8.1933      2.00000
     78      -7.9246      2.00000
     79      -7.7981      2.00000
     80      -7.6320      2.00000
     81      -7.5875      2.00000
     82      -7.4587      2.00000
     83      -7.3672      2.00000
     84      -7.3007      2.00000
     85      -7.1419      2.00000
     86      -7.0933      2.00000
     87      -7.0707      2.00000
     88      -7.0433      2.00000
     89      -6.6268      2.00000
     90      -6.5537      2.00000
     91      -6.5409      2.00000
     92      -6.5195      2.00000
     93      -6.4305      2.00000
     94      -6.2904      2.00000
     95      -6.1280      2.00000
     96      -6.0773      2.00000
     97      -5.9165      2.00000
     98      -5.8197      2.00000
     99      -5.8044      2.00000
    100      -5.7029      2.00000
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    110      -5.1622      2.00000
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    112      -4.9966      2.00000
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    190       6.1744      0.00000
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    206       9.3771      0.00000
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    208       9.7078      0.00000
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    210       9.9098      0.00000
    211       9.9734      0.00000
    212      10.1166      0.00000
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    223      11.2174      0.00000
    224      11.2647      0.00000
    225      11.3262      0.00000
    226      11.3701      0.00000
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    230      11.6579      0.00000
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    236      12.0391      0.00000
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    240      12.3499      0.00000
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    250      12.9352      0.00000
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    256      13.3301      0.00000

 k-point    36 :       0.1667    0.2857    0.1250
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2640      2.00000
     42     -21.2094      2.00000
     43     -21.1810      2.00000
     44     -21.1680      2.00000
     45     -20.9586      2.00000
     46     -20.9272      2.00000
     47     -20.9168      2.00000
     48     -20.8940      2.00000
     49     -19.3156      2.00000
     50     -19.3020      2.00000
     51     -19.2874      2.00000
     52     -19.2732      2.00000
     53     -18.7036      2.00000
     54     -18.6792      2.00000
     55     -18.6649      2.00000
     56     -18.6449      2.00000
     57     -18.2624      2.00000
     58     -18.2032      2.00000
     59     -18.1947      2.00000
     60     -18.1683      2.00000
     61     -18.1432      2.00000
     62     -18.1211      2.00000
     63     -18.0600      2.00000
     64     -18.0338      2.00000
     65     -17.8984      2.00000
     66     -17.8897      2.00000
     67     -17.8650      2.00000
     68     -17.8541      2.00000
     69     -17.7896      2.00000
     70     -17.7122      2.00000
     71     -17.7060      2.00000
     72     -17.6477      2.00000
     73     -17.3114      2.00000
     74     -17.3026      2.00000
     75     -17.2920      2.00000
     76     -17.2812      2.00000
     77      -8.2074      2.00000
     78      -7.9412      2.00000
     79      -7.7840      2.00000
     80      -7.6243      2.00000
     81      -7.5627      2.00000
     82      -7.4464      2.00000
     83      -7.3674      2.00000
     84      -7.2955      2.00000
     85      -7.1315      2.00000
     86      -7.0996      2.00000
     87      -7.0743      2.00000
     88      -7.0372      2.00000
     89      -6.6428      2.00000
     90      -6.5765      2.00000
     91      -6.5476      2.00000
     92      -6.5184      2.00000
     93      -6.4329      2.00000
     94      -6.2951      2.00000
     95      -6.1400      2.00000
     96      -6.0846      2.00000
     97      -5.9297      2.00000
     98      -5.8481      2.00000
     99      -5.8025      2.00000
    100      -5.6899      2.00000
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    140      -1.8055      2.00000
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    144      -1.6130      2.00000
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 k-point    37 :       0.3333    0.2857    0.1250
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     18     -39.2006      2.00000
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     22     -39.1838      2.00000
     23     -39.0468      2.00000
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     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2626      2.00000
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     44     -21.1681      2.00000
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     48     -20.8940      2.00000
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     67     -17.8607      2.00000
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     69     -17.7891      2.00000
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     71     -17.7055      2.00000
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 k-point    38 :       0.5000    0.2857    0.1250
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     11     -39.2154      2.00000
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     27     -39.0333      2.00000
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     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
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     41     -21.2624      2.00000
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     44     -21.1681      2.00000
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     48     -20.8940      2.00000
     49     -19.3139      2.00000
     50     -19.3020      2.00000
     51     -19.2839      2.00000
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     55     -18.6667      2.00000
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     60     -18.1703      2.00000
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     63     -18.0592      2.00000
     64     -18.0328      2.00000
     65     -17.8999      2.00000
     66     -17.8917      2.00000
     67     -17.8602      2.00000
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     69     -17.7893      2.00000
     70     -17.7120      2.00000
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    230      11.6456      0.00000
    231      11.7465      0.00000
    232      11.8579      0.00000
    233      11.8877      0.00000
    234      11.9667      0.00000
    235      12.0350      0.00000
    236      12.0637      0.00000
    237      12.2315      0.00000
    238      12.2583      0.00000
    239      12.3580      0.00000
    240      12.4206      0.00000
    241      12.4477      0.00000
    242      12.5013      0.00000
    243      12.5852      0.00000
    244      12.6296      0.00000
    245      12.7045      0.00000
    246      12.7468      0.00000
    247      12.8583      0.00000
    248      12.9149      0.00000
    249      12.9443      0.00000
    250      13.0696      0.00000
    251      13.1039      0.00000
    252      13.1467      0.00000
    253      13.1869      0.00000
    254      13.2249      0.00000
    255      13.3205      0.00000
    256      13.3736      0.00000

 k-point    39 :      -0.3333    0.2857    0.1250
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2636      2.00000
     42     -21.2093      2.00000
     43     -21.1810      2.00000
     44     -21.1680      2.00000
     45     -20.9590      2.00000
     46     -20.9273      2.00000
     47     -20.9170      2.00000
     48     -20.8940      2.00000
     49     -19.3151      2.00000
     50     -19.3026      2.00000
     51     -19.2866      2.00000
     52     -19.2742      2.00000
     53     -18.7023      2.00000
     54     -18.6785      2.00000
     55     -18.6638      2.00000
     56     -18.6443      2.00000
     57     -18.2621      2.00000
     58     -18.2039      2.00000
     59     -18.1997      2.00000
     60     -18.1698      2.00000
     61     -18.1427      2.00000
     62     -18.1202      2.00000
     63     -18.0592      2.00000
     64     -18.0336      2.00000
     65     -17.8987      2.00000
     66     -17.8917      2.00000
     67     -17.8640      2.00000
     68     -17.8518      2.00000
     69     -17.7900      2.00000
     70     -17.7126      2.00000
     71     -17.7055      2.00000
     72     -17.6477      2.00000
     73     -17.3101      2.00000
     74     -17.3014      2.00000
     75     -17.2929      2.00000
     76     -17.2822      2.00000
     77      -8.2096      2.00000
     78      -7.9384      2.00000
     79      -7.7727      2.00000
     80      -7.6282      2.00000
     81      -7.5369      2.00000
     82      -7.4366      2.00000
     83      -7.3911      2.00000
     84      -7.3168      2.00000
     85      -7.1400      2.00000
     86      -7.1091      2.00000
     87      -7.0634      2.00000
     88      -7.0418      2.00000
     89      -6.6419      2.00000
     90      -6.5882      2.00000
     91      -6.5360      2.00000
     92      -6.5248      2.00000
     93      -6.4338      2.00000
     94      -6.2939      2.00000
     95      -6.1415      2.00000
     96      -6.0784      2.00000
     97      -5.9272      2.00000
     98      -5.8567      2.00000
     99      -5.7494      2.00000
    100      -5.7090      2.00000
    101      -5.6525      2.00000
    102      -5.5894      2.00000
    103      -5.4077      2.00000
    104      -5.3831      2.00000
    105      -5.3234      2.00000
    106      -5.2950      2.00000
    107      -5.2626      2.00000
    108      -5.2074      2.00000
    109      -5.1902      2.00000
    110      -5.1347      2.00000
    111      -5.0578      2.00000
    112      -4.9981      2.00000
    113      -4.8502      2.00000
    114      -4.7852      2.00000
    115      -4.7221      2.00000
    116      -4.6595      2.00000
    117      -4.5626      2.00000
    118      -4.5488      2.00000
    119      -4.4721      2.00000
    120      -4.3932      2.00000
    121      -4.1985      2.00000
    122      -4.1429      2.00000
    123      -3.8561      2.00000
    124      -3.7831      2.00000
    125      -3.6582      2.00000
    126      -3.6316      2.00000
    127      -3.5562      2.00000
    128      -3.5179      2.00000
    129      -2.7095      2.00000
    130      -2.6840      2.00000
    131      -2.4855      2.00000
    132      -2.4435      2.00000
    133      -2.3909      2.00000
    134      -2.3300      2.00000
    135      -2.1930      2.00000
    136      -2.1687      2.00000
    137      -1.9748      2.00000
    138      -1.8820      2.00000
    139      -1.8371      2.00000
    140      -1.7876      2.00000
    141      -1.7657      2.00000
    142      -1.7413      2.00000
    143      -1.6958      2.00000
    144      -1.6107      2.00000
    145      -1.5474      2.00000
    146      -1.5288      2.00000
    147      -1.4409      2.00000
    148      -1.3821      2.00000
    149      -1.3347      2.00000
    150      -1.2979      2.00000
    151      -1.2857      2.00000
    152      -1.2363      2.00000
    153      -1.2074      2.00000
    154      -1.1989      2.00000
    155      -1.1622      2.00000
    156      -1.1055      2.00000
    157      -1.0879      2.00000
    158      -1.0743      2.00000
    159      -1.0486      2.00000
    160      -0.9788      2.00000
    161      -0.8936      2.00000
    162      -0.8650      2.00000
    163      -0.8227      2.00000
    164      -0.8060      2.00000
    165      -0.7753      2.00000
    166      -0.7346      2.00000
    167      -0.6922      2.00000
    168      -0.6486      2.00000
    169      -0.6306      2.00000
    170      -0.6129      2.00000
    171      -0.5848      2.00000
    172      -0.5536      2.00000
    173      -0.4780      2.00000
    174      -0.4240      2.00000
    175      -0.3440      2.00000
    176      -0.2164      2.00000
    177      -0.1838      2.00000
    178       0.0194      2.00000
    179       0.0702      2.00000
    180       0.1685      2.00000
    181       0.2987      2.00000
    182       0.4019      2.00000
    183       0.4280      2.00000
    184       0.4947      2.00000
    185       5.4360      0.00000
    186       5.7991      0.00000
    187       5.9001      0.00000
    188       6.1101      0.00000
    189       6.1530      0.00000
    190       6.2011      0.00000
    191       6.2821      0.00000
    192       6.4565      0.00000
    193       6.6603      0.00000
    194       6.8279      0.00000
    195       6.9453      0.00000
    196       7.2218      0.00000
    197       7.3945      0.00000
    198       7.4727      0.00000
    199       8.1308      0.00000
    200       8.4360      0.00000
    201       8.5645      0.00000
    202       8.5769      0.00000
    203       8.7726      0.00000
    204       8.9603      0.00000
    205       9.1048      0.00000
    206       9.2899      0.00000
    207       9.6352      0.00000
    208       9.7113      0.00000
    209       9.7625      0.00000
    210      10.0082      0.00000
    211      10.0419      0.00000
    212      10.1103      0.00000
    213      10.2536      0.00000
    214      10.3254      0.00000
    215      10.4394      0.00000
    216      10.5030      0.00000
    217      10.6028      0.00000
    218      10.7367      0.00000
    219      10.8584      0.00000
    220      10.9147      0.00000
    221      10.9680      0.00000
    222      11.0434      0.00000
    223      11.1348      0.00000
    224      11.1921      0.00000
    225      11.3065      0.00000
    226      11.3671      0.00000
    227      11.4214      0.00000
    228      11.5118      0.00000
    229      11.5701      0.00000
    230      11.6426      0.00000
    231      11.7263      0.00000
    232      11.7700      0.00000
    233      11.8972      0.00000
    234      11.9084      0.00000
    235      11.9484      0.00000
    236      11.9657      0.00000
    237      12.2069      0.00000
    238      12.2562      0.00000
    239      12.3357      0.00000
    240      12.3690      0.00000
    241      12.4295      0.00000
    242      12.5181      0.00000
    243      12.5930      0.00000
    244      12.6381      0.00000
    245      12.6869      0.00000
    246      12.7238      0.00000
    247      12.8233      0.00000
    248      12.8894      0.00000
    249      12.9517      0.00000
    250      12.9771      0.00000
    251      13.0673      0.00000
    252      13.0850      0.00000
    253      13.1546      0.00000
    254      13.1792      0.00000
    255      13.3652      0.00000
    256      13.4018      0.00000

 k-point    40 :      -0.1667    0.2857    0.1250
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2650      2.00000
     42     -21.2096      2.00000
     43     -21.1810      2.00000
     44     -21.1679      2.00000
     45     -20.9574      2.00000
     46     -20.9272      2.00000
     47     -20.9161      2.00000
     48     -20.8940      2.00000
     49     -19.3165      2.00000
     50     -19.3028      2.00000
     51     -19.2892      2.00000
     52     -19.2726      2.00000
     53     -18.7073      2.00000
     54     -18.6765      2.00000
     55     -18.6622      2.00000
     56     -18.6469      2.00000
     57     -18.2614      2.00000
     58     -18.2031      2.00000
     59     -18.1909      2.00000
     60     -18.1684      2.00000
     61     -18.1405      2.00000
     62     -18.1202      2.00000
     63     -18.0599      2.00000
     64     -18.0345      2.00000
     65     -17.8974      2.00000
     66     -17.8908      2.00000
     67     -17.8683      2.00000
     68     -17.8545      2.00000
     69     -17.7906      2.00000
     70     -17.7130      2.00000
     71     -17.7060      2.00000
     72     -17.6475      2.00000
     73     -17.3142      2.00000
     74     -17.3054      2.00000
     75     -17.2896      2.00000
     76     -17.2782      2.00000
     77      -8.1945      2.00000
     78      -7.9232      2.00000
     79      -7.7928      2.00000
     80      -7.6332      2.00000
     81      -7.5771      2.00000
     82      -7.4542      2.00000
     83      -7.3761      2.00000
     84      -7.3123      2.00000
     85      -7.1443      2.00000
     86      -7.1020      2.00000
     87      -7.0574      2.00000
     88      -7.0508      2.00000
     89      -6.6256      2.00000
     90      -6.5568      2.00000
     91      -6.5390      2.00000
     92      -6.5221      2.00000
     93      -6.4309      2.00000
     94      -6.2898      2.00000
     95      -6.1291      2.00000
     96      -6.0744      2.00000
     97      -5.9151      2.00000
     98      -5.8345      2.00000
     99      -5.7573      2.00000
    100      -5.7287      2.00000
    101      -5.6704      2.00000
    102      -5.5880      2.00000
    103      -5.4135      2.00000
    104      -5.4061      2.00000
    105      -5.3405      2.00000
    106      -5.3038      2.00000
    107      -5.2530      2.00000
    108      -5.2298      2.00000
    109      -5.2097      2.00000
    110      -5.1429      2.00000
    111      -5.0632      2.00000
    112      -4.9856      2.00000
    113      -4.8158      2.00000
    114      -4.7262      2.00000
    115      -4.6988      2.00000
    116      -4.6482      2.00000
    117      -4.5780      2.00000
    118      -4.5262      2.00000
    119      -4.4752      2.00000
    120      -4.4227      2.00000
    121      -4.2227      2.00000
    122      -4.1517      2.00000
    123      -3.8690      2.00000
    124      -3.7631      2.00000
    125      -3.6701      2.00000
    126      -3.6234      2.00000
    127      -3.5561      2.00000
    128      -3.5410      2.00000
    129      -2.7402      2.00000
    130      -2.6312      2.00000
    131      -2.4973      2.00000
    132      -2.4478      2.00000
    133      -2.3916      2.00000
    134      -2.3487      2.00000
    135      -2.2214      2.00000
    136      -2.1989      2.00000
    137      -1.9358      2.00000
    138      -1.8778      2.00000
    139      -1.8264      2.00000
    140      -1.7958      2.00000
    141      -1.7758      2.00000
    142      -1.7333      2.00000
    143      -1.6670      2.00000
    144      -1.6134      2.00000
    145      -1.5468      2.00000
    146      -1.5014      2.00000
    147      -1.4707      2.00000
    148      -1.3870      2.00000
    149      -1.3273      2.00000
    150      -1.3154      2.00000
    151      -1.2907      2.00000
    152      -1.2523      2.00000
    153      -1.2098      2.00000
    154      -1.1746      2.00000
    155      -1.1482      2.00000
    156      -1.0994      2.00000
    157      -1.0862      2.00000
    158      -1.0815      2.00000
    159      -1.0284      2.00000
    160      -0.9683      2.00000
    161      -0.8822      2.00000
    162      -0.8510      2.00000
    163      -0.8287      2.00000
    164      -0.8049      2.00000
    165      -0.7792      2.00000
    166      -0.7275      2.00000
    167      -0.7002      2.00000
    168      -0.6801      2.00000
    169      -0.6232      2.00000
    170      -0.6068      2.00000
    171      -0.5950      2.00000
    172      -0.5331      2.00000
    173      -0.4872      2.00000
    174      -0.3987      2.00000
    175      -0.3554      2.00000
    176      -0.2245      2.00000
    177      -0.1821      2.00000
    178       0.0204      2.00000
    179       0.0751      2.00000
    180       0.1674      2.00000
    181       0.2994      2.00000
    182       0.3926      2.00000
    183       0.4186      2.00000
    184       0.4878      2.00000
    185       5.3164      0.00000
    186       5.7962      0.00000
    187       5.9234      0.00000
    188       6.1256      0.00000
    189       6.1553      0.00000
    190       6.1779      0.00000
    191       6.3127      0.00000
    192       6.4759      0.00000
    193       6.6647      0.00000
    194       6.8765      0.00000
    195       7.1267      0.00000
    196       7.2525      0.00000
    197       7.4210      0.00000
    198       7.5486      0.00000
    199       8.1288      0.00000
    200       8.2786      0.00000
    201       8.4136      0.00000
    202       8.5644      0.00000
    203       8.6999      0.00000
    204       8.7270      0.00000
    205       9.1392      0.00000
    206       9.4005      0.00000
    207       9.5257      0.00000
    208       9.6763      0.00000
    209       9.7844      0.00000
    210       9.9949      0.00000
    211      10.0385      0.00000
    212      10.0824      0.00000
    213      10.2361      0.00000
    214      10.3254      0.00000
    215      10.4524      0.00000
    216      10.5991      0.00000
    217      10.7341      0.00000
    218      10.7983      0.00000
    219      10.8916      0.00000
    220      11.0078      0.00000
    221      11.0906      0.00000
    222      11.1132      0.00000
    223      11.1389      0.00000
    224      11.2541      0.00000
    225      11.2931      0.00000
    226      11.4479      0.00000
    227      11.4673      0.00000
    228      11.5100      0.00000
    229      11.5895      0.00000
    230      11.6765      0.00000
    231      11.7119      0.00000
    232      11.7410      0.00000
    233      11.7794      0.00000
    234      11.8762      0.00000
    235      11.9208      0.00000
    236      11.9686      0.00000
    237      12.1166      0.00000
    238      12.2010      0.00000
    239      12.2342      0.00000
    240      12.3461      0.00000
    241      12.4085      0.00000
    242      12.4966      0.00000
    243      12.5652      0.00000
    244      12.6324      0.00000
    245      12.6945      0.00000
    246      12.7057      0.00000
    247      12.7616      0.00000
    248      12.8493      0.00000
    249      12.9271      0.00000
    250      12.9351      0.00000
    251      13.0101      0.00000
    252      13.0489      0.00000
    253      13.1917      0.00000
    254      13.2084      0.00000
    255      13.3007      0.00000
    256      13.4223      0.00000

 k-point    41 :       0.0000    0.4286    0.1250
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2490      2.00000
     42     -21.2296      2.00000
     43     -21.1754      2.00000
     44     -21.1704      2.00000
     45     -20.9443      2.00000
     46     -20.9298      2.00000
     47     -20.9163      2.00000
     48     -20.9047      2.00000
     49     -19.3128      2.00000
     50     -19.3077      2.00000
     51     -19.2832      2.00000
     52     -19.2771      2.00000
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 k-point    42 :       0.1667    0.4286    0.1250
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     17     -39.2007      2.00000
     18     -39.2006      2.00000
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     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
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     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2481      2.00000
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     44     -21.1704      2.00000
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     48     -20.9047      2.00000
     49     -19.3119      2.00000
     50     -19.3070      2.00000
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     67     -17.8615      2.00000
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 k-point    43 :       0.3333    0.4286    0.1250
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     11     -39.2154      2.00000
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     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
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     35     -38.5350      2.00000
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     42     -21.2283      2.00000
     43     -21.1755      2.00000
     44     -21.1705      2.00000
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     47     -20.9163      2.00000
     48     -20.9047      2.00000
     49     -19.3108      2.00000
     50     -19.3064      2.00000
     51     -19.2808      2.00000
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     60     -18.1775      2.00000
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     64     -18.0399      2.00000
     65     -17.8968      2.00000
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     67     -17.8571      2.00000
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     69     -17.7662      2.00000
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    160      -0.9990      2.00000
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    184       0.4712      2.00000
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    191       6.2884      0.00000
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 k-point    44 :       0.5000    0.4286    0.1250
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      2     -72.4432      2.00000
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     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
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     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2468      2.00000
     42     -21.2282      2.00000
     43     -21.1755      2.00000
     44     -21.1705      2.00000
     45     -20.9472      2.00000
     46     -20.9323      2.00000
     47     -20.9163      2.00000
     48     -20.9047      2.00000
     49     -19.3107      2.00000
     50     -19.3065      2.00000
     51     -19.2806      2.00000
     52     -19.2777      2.00000
     53     -18.6908      2.00000
     54     -18.6852      2.00000
     55     -18.6590      2.00000
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     57     -18.2368      2.00000
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     59     -18.1924      2.00000
     60     -18.1801      2.00000
     61     -18.1542      2.00000
     62     -18.1387      2.00000
     63     -18.0490      2.00000
     64     -18.0398      2.00000
     65     -17.8973      2.00000
     66     -17.8945      2.00000
     67     -17.8564      2.00000
     68     -17.8524      2.00000
     69     -17.7663      2.00000
     70     -17.7371      2.00000
     71     -17.6882      2.00000
     72     -17.6667      2.00000
     73     -17.3011      2.00000
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     77      -8.1431      2.00000
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     86      -7.1079      2.00000
     87      -7.0610      2.00000
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     89      -6.6487      2.00000
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 k-point    45 :      -0.3333    0.4286    0.1250
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      3     -72.4428      2.00000
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      5     -72.2770      2.00000
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     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
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     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2478      2.00000
     42     -21.2288      2.00000
     43     -21.1755      2.00000
     44     -21.1704      2.00000
     45     -20.9459      2.00000
     46     -20.9312      2.00000
     47     -20.9163      2.00000
     48     -20.9047      2.00000
     49     -19.3116      2.00000
     50     -19.3072      2.00000
     51     -19.2819      2.00000
     52     -19.2775      2.00000
     53     -18.6938      2.00000
     54     -18.6852      2.00000
     55     -18.6576      2.00000
     56     -18.6508      2.00000
     57     -18.2351      2.00000
     58     -18.2088      2.00000
     59     -18.1891      2.00000
     60     -18.1796      2.00000
     61     -18.1520      2.00000
     62     -18.1383      2.00000
     63     -18.0494      2.00000
     64     -18.0404      2.00000
     65     -17.8962      2.00000
     66     -17.8936      2.00000
     67     -17.8600      2.00000
     68     -17.8553      2.00000
     69     -17.7671      2.00000
     70     -17.7379      2.00000
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    209       9.8889      0.00000
    210       9.9459      0.00000
    211      10.0634      0.00000
    212      10.1493      0.00000
    213      10.2839      0.00000
    214      10.4003      0.00000
    215      10.4266      0.00000
    216      10.5860      0.00000
    217      10.6393      0.00000
    218      10.6852      0.00000
    219      10.8362      0.00000
    220      10.8638      0.00000
    221      10.9681      0.00000
    222      11.0000      0.00000
    223      11.0866      0.00000
    224      11.1509      0.00000
    225      11.2954      0.00000
    226      11.3484      0.00000
    227      11.4561      0.00000
    228      11.4916      0.00000
    229      11.5361      0.00000
    230      11.6262      0.00000
    231      11.6993      0.00000
    232      11.7528      0.00000
    233      11.8670      0.00000
    234      11.8843      0.00000
    235      11.9423      0.00000
    236      11.9731      0.00000
    237      12.2264      0.00000
    238      12.2543      0.00000
    239      12.4127      0.00000
    240      12.4228      0.00000
    241      12.4334      0.00000
    242      12.5203      0.00000
    243      12.5442      0.00000
    244      12.5944      0.00000
    245      12.6547      0.00000
    246      12.7077      0.00000
    247      12.8440      0.00000
    248      12.8675      0.00000
    249      12.9928      0.00000
    250      13.0128      0.00000
    251      13.0558      0.00000
    252      13.0652      0.00000
    253      13.1839      0.00000
    254      13.2063      0.00000
    255      13.2742      0.00000
    256      13.3004      0.00000

 k-point    46 :      -0.1667    0.4286    0.1250
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2489      2.00000
     42     -21.2295      2.00000
     43     -21.1754      2.00000
     44     -21.1704      2.00000
     45     -20.9445      2.00000
     46     -20.9300      2.00000
     47     -20.9163      2.00000
     48     -20.9047      2.00000
     49     -19.3127      2.00000
     50     -19.3078      2.00000
     51     -19.2832      2.00000
     52     -19.2773      2.00000
     53     -18.6969      2.00000
     54     -18.6859      2.00000
     55     -18.6570      2.00000
     56     -18.6516      2.00000
     57     -18.2338      2.00000
     58     -18.2064      2.00000
     59     -18.1835      2.00000
     60     -18.1767      2.00000
     61     -18.1504      2.00000
     62     -18.1381      2.00000
     63     -18.0502      2.00000
     64     -18.0412      2.00000
     65     -17.8945      2.00000
     66     -17.8920      2.00000
     67     -17.8644      2.00000
     68     -17.8592      2.00000
     69     -17.7677      2.00000
     70     -17.7387      2.00000
     71     -17.6882      2.00000
     72     -17.6665      2.00000
     73     -17.3053      2.00000
     74     -17.2967      2.00000
     75     -17.2958      2.00000
     76     -17.2860      2.00000
     77      -8.1168      2.00000
     78      -8.0216      2.00000
     79      -7.7198      2.00000
     80      -7.6417      2.00000
     81      -7.5690      2.00000
     82      -7.5018      2.00000
     83      -7.3556      2.00000
     84      -7.3265      2.00000
     85      -7.1320      2.00000
     86      -7.1174      2.00000
     87      -7.0537      2.00000
     88      -7.0513      2.00000
     89      -6.6050      2.00000
     90      -6.5825      2.00000
     91      -6.5344      2.00000
     92      -6.5288      2.00000
     93      -6.3912      2.00000
     94      -6.3417      2.00000
     95      -6.1277      2.00000
     96      -6.1088      2.00000
     97      -5.8894      2.00000
     98      -5.8563      2.00000
     99      -5.7467      2.00000
    100      -5.7131      2.00000
    101      -5.6870      2.00000
    102      -5.6361      2.00000
    103      -5.3803      2.00000
    104      -5.3711      2.00000
    105      -5.3261      2.00000
    106      -5.3071      2.00000
    107      -5.2455      2.00000
    108      -5.2254      2.00000
    109      -5.2073      2.00000
    110      -5.1775      2.00000
    111      -5.0472      2.00000
    112      -5.0169      2.00000
    113      -4.7913      2.00000
    114      -4.7585      2.00000
    115      -4.6810      2.00000
    116      -4.6628      2.00000
    117      -4.5657      2.00000
    118      -4.5471      2.00000
    119      -4.4635      2.00000
    120      -4.4438      2.00000
    121      -4.2065      2.00000
    122      -4.1826      2.00000
    123      -3.8176      2.00000
    124      -3.7814      2.00000
    125      -3.6544      2.00000
    126      -3.6384      2.00000
    127      -3.5366      2.00000
    128      -3.5318      2.00000
    129      -2.6982      2.00000
    130      -2.6583      2.00000
    131      -2.4757      2.00000
    132      -2.4605      2.00000
    133      -2.3022      2.00000
    134      -2.2638      2.00000
    135      -2.1915      2.00000
    136      -2.1454      2.00000
    137      -2.0546      2.00000
    138      -1.9797      2.00000
    139      -1.8304      2.00000
    140      -1.8068      2.00000
    141      -1.7396      2.00000
    142      -1.6942      2.00000
    143      -1.6912      2.00000
    144      -1.6474      2.00000
    145      -1.5446      2.00000
    146      -1.5138      2.00000
    147      -1.4291      2.00000
    148      -1.3746      2.00000
    149      -1.3310      2.00000
    150      -1.3214      2.00000
    151      -1.3054      2.00000
    152      -1.2666      2.00000
    153      -1.2243      2.00000
    154      -1.1937      2.00000
    155      -1.1425      2.00000
    156      -1.1078      2.00000
    157      -1.0944      2.00000
    158      -1.0862      2.00000
    159      -1.0316      2.00000
    160      -0.9984      2.00000
    161      -0.9037      2.00000
    162      -0.8893      2.00000
    163      -0.8526      2.00000
    164      -0.8296      2.00000
    165      -0.7601      2.00000
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    168      -0.6687      2.00000
    169      -0.6207      2.00000
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    175      -0.2982      2.00000
    176      -0.2409      2.00000
    177      -0.1226      2.00000
    178      -0.0208      2.00000
    179       0.0703      2.00000
    180       0.1234      2.00000
    181       0.3334      2.00000
    182       0.3730      2.00000
    183       0.4306      2.00000
    184       0.4606      2.00000
    185       5.5564      0.00000
    186       5.7674      0.00000
    187       5.9160      0.00000
    188       5.9847      0.00000
    189       6.1513      0.00000
    190       6.1583      0.00000
    191       6.3122      0.00000
    192       6.3946      0.00000
    193       6.7280      0.00000
    194       6.8037      0.00000
    195       7.2226      0.00000
    196       7.3100      0.00000
    197       7.3774      0.00000
    198       7.4230      0.00000
    199       8.1926      0.00000
    200       8.2586      0.00000
    201       8.4555      0.00000
    202       8.5382      0.00000
    203       8.6251      0.00000
    204       8.6303      0.00000
    205       9.3056      0.00000
    206       9.4909      0.00000
    207       9.5019      0.00000
    208       9.5476      0.00000
    209       9.8926      0.00000
    210       9.9750      0.00000
    211      10.1312      0.00000
    212      10.1794      0.00000
    213      10.2712      0.00000
    214      10.4564      0.00000
    215      10.5743      0.00000
    216      10.6017      0.00000
    217      10.6370      0.00000
    218      10.7318      0.00000
    219      10.9121      0.00000
    220      10.9659      0.00000
    221      10.9868      0.00000
    222      11.0306      0.00000
    223      11.1593      0.00000
    224      11.2477      0.00000
    225      11.3019      0.00000
    226      11.3522      0.00000
    227      11.4970      0.00000
    228      11.5183      0.00000
    229      11.5920      0.00000
    230      11.6365      0.00000
    231      11.6509      0.00000
    232      11.6840      0.00000
    233      11.8129      0.00000
    234      11.8709      0.00000
    235      11.9000      0.00000
    236      11.9411      0.00000
    237      12.1631      0.00000
    238      12.1821      0.00000
    239      12.2703      0.00000
    240      12.3357      0.00000
    241      12.4459      0.00000
    242      12.4588      0.00000
    243      12.5246      0.00000
    244      12.6014      0.00000
    245      12.7377      0.00000
    246      12.7546      0.00000
    247      12.7878      0.00000
    248      12.8217      0.00000
    249      12.9419      0.00000
    250      12.9782      0.00000
    251      12.9963      0.00000
    252      13.0223      0.00000
    253      13.2030      0.00000
    254      13.2218      0.00000
    255      13.2452      0.00000
    256      13.3059      0.00000

 k-point    47 :      -0.0000   -0.4286    0.1250
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2490      2.00000
     42     -21.2296      2.00000
     43     -21.1754      2.00000
     44     -21.1704      2.00000
     45     -20.9443      2.00000
     46     -20.9297      2.00000
     47     -20.9164      2.00000
     48     -20.9047      2.00000
     49     -19.3128      2.00000
     50     -19.3077      2.00000
     51     -19.2832      2.00000
     52     -19.2771      2.00000
     53     -18.6974      2.00000
     54     -18.6864      2.00000
     55     -18.6574      2.00000
     56     -18.6519      2.00000
     57     -18.2341      2.00000
     58     -18.2070      2.00000
     59     -18.1808      2.00000
     60     -18.1743      2.00000
     61     -18.1512      2.00000
     62     -18.1388      2.00000
     63     -18.0504      2.00000
     64     -18.0414      2.00000
     65     -17.8939      2.00000
     66     -17.8910      2.00000
     67     -17.8653      2.00000
     68     -17.8604      2.00000
     69     -17.7676      2.00000
     70     -17.7388      2.00000
     71     -17.6881      2.00000
     72     -17.6666      2.00000
     73     -17.3056      2.00000
     74     -17.2967      2.00000
     75     -17.2960      2.00000
     76     -17.2859      2.00000
     77      -8.1160      2.00000
     78      -8.0217      2.00000
     79      -7.7257      2.00000
     80      -7.6493      2.00000
     81      -7.5697      2.00000
     82      -7.5039      2.00000
     83      -7.3495      2.00000
     84      -7.3196      2.00000
     85      -7.1260      2.00000
     86      -7.1090      2.00000
     87      -7.0596      2.00000
     88      -7.0493      2.00000
     89      -6.6049      2.00000
     90      -6.5791      2.00000
     91      -6.5368      2.00000
     92      -6.5286      2.00000
     93      -6.3923      2.00000
     94      -6.3427      2.00000
     95      -6.1279      2.00000
     96      -6.1109      2.00000
     97      -5.8904      2.00000
     98      -5.8535      2.00000
     99      -5.7712      2.00000
    100      -5.7261      2.00000
    101      -5.6626      2.00000
    102      -5.6179      2.00000
    103      -5.3856      2.00000
    104      -5.3766      2.00000
    105      -5.3317      2.00000
    106      -5.3093      2.00000
    107      -5.2588      2.00000
    108      -5.2324      2.00000
    109      -5.1972      2.00000
    110      -5.1793      2.00000
    111      -5.0559      2.00000
    112      -5.0268      2.00000
    113      -4.7740      2.00000
    114      -4.7390      2.00000
    115      -4.6638      2.00000
    116      -4.6515      2.00000
    117      -4.5690      2.00000
    118      -4.5469      2.00000
    119      -4.4674      2.00000
    120      -4.4489      2.00000
    121      -4.2116      2.00000
    122      -4.1870      2.00000
    123      -3.8191      2.00000
    124      -3.7768      2.00000
    125      -3.6555      2.00000
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    128      -3.5390      2.00000
    129      -2.6999      2.00000
    130      -2.6507      2.00000
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    132      -2.4671      2.00000
    133      -2.2932      2.00000
    134      -2.2587      2.00000
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    140      -1.8191      2.00000
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    144      -1.6459      2.00000
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    146      -1.4993      2.00000
    147      -1.4197      2.00000
    148      -1.3726      2.00000
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    150      -1.3217      2.00000
    151      -1.2947      2.00000
    152      -1.2693      2.00000
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    180       0.1247      2.00000
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    182       0.3705      2.00000
    183       0.4291      2.00000
    184       0.4589      2.00000
    185       5.5445      0.00000
    186       5.7640      0.00000
    187       5.9158      0.00000
    188       5.9779      0.00000
    189       6.1526      0.00000
    190       6.1587      0.00000
    191       6.3187      0.00000
    192       6.4001      0.00000
    193       6.7288      0.00000
    194       6.8050      0.00000
    195       7.2771      0.00000
    196       7.2856      0.00000
    197       7.3874      0.00000
    198       7.4481      0.00000
    199       8.2238      0.00000
    200       8.2448      0.00000
    201       8.4554      0.00000
    202       8.4801      0.00000
    203       8.5805      0.00000
    204       8.6202      0.00000
    205       9.3512      0.00000
    206       9.4266      0.00000
    207       9.4607      0.00000
    208       9.5927      0.00000
    209       9.9091      0.00000
    210       9.9561      0.00000
    211      10.0781      0.00000
    212      10.1701      0.00000
    213      10.3041      0.00000
    214      10.4907      0.00000
    215      10.5534      0.00000
    216      10.5963      0.00000
    217      10.6670      0.00000
    218      10.7618      0.00000
    219      10.9243      0.00000
    220      10.9544      0.00000
    221      11.0353      0.00000
    222      11.0798      0.00000
    223      11.1970      0.00000
    224      11.2371      0.00000
    225      11.3103      0.00000
    226      11.3441      0.00000
    227      11.4175      0.00000
    228      11.4568      0.00000
    229      11.5553      0.00000
    230      11.6217      0.00000
    231      11.7169      0.00000
    232      11.7571      0.00000
    233      11.8552      0.00000
    234      11.8926      0.00000
    235      11.9244      0.00000
    236      11.9736      0.00000
    237      12.1247      0.00000
    238      12.1550      0.00000
    239      12.2063      0.00000
    240      12.3178      0.00000
    241      12.3912      0.00000
    242      12.4405      0.00000
    243      12.5742      0.00000
    244      12.6629      0.00000
    245      12.6796      0.00000
    246      12.7232      0.00000
    247      12.7999      0.00000
    248      12.8237      0.00000
    249      12.8439      0.00000
    250      12.9174      0.00000
    251      13.0307      0.00000
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    253      13.2088      0.00000
    254      13.2454      0.00000
    255      13.2832      0.00000
    256      13.3798      0.00000

 k-point    48 :       0.1667   -0.4286    0.1250
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2481      2.00000
     42     -21.2290      2.00000
     43     -21.1755      2.00000
     44     -21.1704      2.00000
     45     -20.9456      2.00000
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     47     -20.9164      2.00000
     48     -20.9047      2.00000
     49     -19.3118      2.00000
     50     -19.3070      2.00000
     51     -19.2821      2.00000
     52     -19.2771      2.00000
     53     -18.6948      2.00000
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     55     -18.6585      2.00000
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     60     -18.1745      2.00000
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     68     -17.8574      2.00000
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     70     -17.7380      2.00000
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     77      -8.1296      2.00000
     78      -8.0354      2.00000
     79      -7.7108      2.00000
     80      -7.6302      2.00000
     81      -7.5649      2.00000
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     84      -7.3144      2.00000
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     88      -7.0491      2.00000
     89      -6.6230      2.00000
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     95      -6.1393      2.00000
     96      -6.1191      2.00000
     97      -5.9018      2.00000
     98      -5.8675      2.00000
     99      -5.7786      2.00000
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    106      -5.2842      2.00000
    107      -5.2672      2.00000
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    110      -5.1718      2.00000
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    123      -3.8250      2.00000
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    160      -0.9856      2.00000
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    180       0.1269      2.00000
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    182       0.3753      2.00000
    183       0.4343      2.00000
    184       0.4642      2.00000
    185       5.6137      0.00000
    186       5.7750      0.00000
    187       5.9337      0.00000
    188       6.0489      0.00000
    189       6.1335      0.00000
    190       6.1504      0.00000
    191       6.3095      0.00000
    192       6.3847      0.00000
    193       6.7217      0.00000
    194       6.7970      0.00000
    195       7.0051      0.00000
    196       7.1598      0.00000
    197       7.3382      0.00000
    198       7.4012      0.00000
    199       8.3233      0.00000
    200       8.4223      0.00000
    201       8.4681      0.00000
    202       8.5470      0.00000
    203       8.7334      0.00000
    204       8.8512      0.00000
    205       9.3052      0.00000
    206       9.3657      0.00000
    207       9.4913      0.00000
    208       9.6377      0.00000
    209       9.8982      0.00000
    210       9.9396      0.00000
    211      10.0197      0.00000
    212      10.1237      0.00000
    213      10.3384      0.00000
    214      10.4031      0.00000
    215      10.4839      0.00000
    216      10.5869      0.00000
    217      10.6522      0.00000
    218      10.7295      0.00000
    219      10.8435      0.00000
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    225      11.3326      0.00000
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    227      11.4030      0.00000
    228      11.5125      0.00000
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    230      11.5943      0.00000
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    236      12.0843      0.00000
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    239      12.2920      0.00000
    240      12.3396      0.00000
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    244      12.6406      0.00000
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    253      13.1573      0.00000
    254      13.2253      0.00000
    255      13.3351      0.00000
    256      13.3789      0.00000

 k-point    49 :       0.3333   -0.4286    0.1250
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2470      2.00000
     42     -21.2283      2.00000
     43     -21.1755      2.00000
     44     -21.1705      2.00000
     45     -20.9470      2.00000
     46     -20.9320      2.00000
     47     -20.9164      2.00000
     48     -20.9047      2.00000
     49     -19.3108      2.00000
     50     -19.3064      2.00000
     51     -19.2808      2.00000
     52     -19.2774      2.00000
     53     -18.6913      2.00000
     54     -18.6857      2.00000
     55     -18.6594      2.00000
     56     -18.6506      2.00000
     57     -18.2371      2.00000
     58     -18.2118      2.00000
     59     -18.1904      2.00000
     60     -18.1776      2.00000
     61     -18.1551      2.00000
     62     -18.1392      2.00000
     63     -18.0492      2.00000
     64     -18.0399      2.00000
     65     -17.8969      2.00000
     66     -17.8935      2.00000
     67     -17.8572      2.00000
     68     -17.8534      2.00000
     69     -17.7662      2.00000
     70     -17.7372      2.00000
     71     -17.6882      2.00000
     72     -17.6668      2.00000
     73     -17.3017      2.00000
     74     -17.2989      2.00000
     75     -17.2932      2.00000
     76     -17.2899      2.00000
     77      -8.1425      2.00000
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     79      -7.6921      2.00000
     80      -7.6056      2.00000
     81      -7.5597      2.00000
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     83      -7.3418      2.00000
     84      -7.3135      2.00000
     85      -7.1146      2.00000
     86      -7.0962      2.00000
     87      -7.0682      2.00000
     88      -7.0500      2.00000
     89      -6.6466      2.00000
     90      -6.6255      2.00000
     91      -6.5367      2.00000
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     93      -6.4003      2.00000
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     95      -6.1497      2.00000
     96      -6.1253      2.00000
     97      -5.9107      2.00000
     98      -5.8796      2.00000
     99      -5.7692      2.00000
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    190       6.1526      0.00000
    191       6.2884      0.00000
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    211      10.0536      0.00000
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    225      11.2621      0.00000
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    227      11.3403      0.00000
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    230      11.6494      0.00000
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    255      13.3301      0.00000
    256      13.3734      0.00000

 k-point    50 :       0.5000   -0.4286    0.1250
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2468      2.00000
     42     -21.2282      2.00000
     43     -21.1755      2.00000
     44     -21.1705      2.00000
     45     -20.9472      2.00000
     46     -20.9322      2.00000
     47     -20.9164      2.00000
     48     -20.9047      2.00000
     49     -19.3107      2.00000
     50     -19.3065      2.00000
     51     -19.2806      2.00000
     52     -19.2777      2.00000
     53     -18.6908      2.00000
     54     -18.6852      2.00000
     55     -18.6590      2.00000
     56     -18.6502      2.00000
     57     -18.2368      2.00000
     58     -18.2117      2.00000
     59     -18.1924      2.00000
     60     -18.1801      2.00000
     61     -18.1542      2.00000
     62     -18.1387      2.00000
     63     -18.0489      2.00000
     64     -18.0398      2.00000
     65     -17.8974      2.00000
     66     -17.8943      2.00000
     67     -17.8565      2.00000
     68     -17.8524      2.00000
     69     -17.7663      2.00000
     70     -17.7372      2.00000
     71     -17.6881      2.00000
     72     -17.6668      2.00000
     73     -17.3011      2.00000
     74     -17.2993      2.00000
     75     -17.2926      2.00000
     76     -17.2904      2.00000
     77      -8.1430      2.00000
     78      -8.0474      2.00000
     79      -7.6851      2.00000
     80      -7.5962      2.00000
     81      -7.5603      2.00000
     82      -7.4907      2.00000
     83      -7.3476      2.00000
     84      -7.3191      2.00000
     85      -7.1237      2.00000
     86      -7.1080      2.00000
     87      -7.0607      2.00000
     88      -7.0475      2.00000
     89      -6.6488      2.00000
     90      -6.6297      2.00000
     91      -6.5316      2.00000
     92      -6.5295      2.00000
     93      -6.3995      2.00000
     94      -6.3492      2.00000
     95      -6.1491      2.00000
     96      -6.1228      2.00000
     97      -5.9099      2.00000
     98      -5.8810      2.00000
     99      -5.7513      2.00000
    100      -5.7259      2.00000
    101      -5.6439      2.00000
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    103      -5.3606      2.00000
    104      -5.3383      2.00000
    105      -5.2957      2.00000
    106      -5.2784      2.00000
    107      -5.2378      2.00000
    108      -5.2065      2.00000
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    110      -5.1485      2.00000
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 k-point    51 :      -0.3333   -0.4286    0.1250
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     11     -39.2154      2.00000
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     13     -39.2149      2.00000
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     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
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     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2478      2.00000
     42     -21.2288      2.00000
     43     -21.1755      2.00000
     44     -21.1704      2.00000
     45     -20.9460      2.00000
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     47     -20.9164      2.00000
     48     -20.9047      2.00000
     49     -19.3117      2.00000
     50     -19.3072      2.00000
     51     -19.2820      2.00000
     52     -19.2775      2.00000
     53     -18.6938      2.00000
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     55     -18.6577      2.00000
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     57     -18.2351      2.00000
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     59     -18.1890      2.00000
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     61     -18.1520      2.00000
     62     -18.1383      2.00000
     63     -18.0494      2.00000
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     65     -17.8962      2.00000
     66     -17.8935      2.00000
     67     -17.8601      2.00000
     68     -17.8552      2.00000
     69     -17.7670      2.00000
     70     -17.7379      2.00000
     71     -17.6881      2.00000
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     84      -7.3268      2.00000
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     89      -6.6254      2.00000
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 k-point    52 :      -0.1667   -0.4286    0.1250
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      5     -72.2770      2.00000
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     11     -39.2154      2.00000
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     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
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     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2488      2.00000
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     43     -21.1754      2.00000
     44     -21.1704      2.00000
     45     -20.9445      2.00000
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     47     -20.9164      2.00000
     48     -20.9047      2.00000
     49     -19.3127      2.00000
     50     -19.3078      2.00000
     51     -19.2832      2.00000
     52     -19.2773      2.00000
     53     -18.6969      2.00000
     54     -18.6859      2.00000
     55     -18.6570      2.00000
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     57     -18.2338      2.00000
     58     -18.2064      2.00000
     59     -18.1835      2.00000
     60     -18.1767      2.00000
     61     -18.1503      2.00000
     62     -18.1381      2.00000
     63     -18.0501      2.00000
     64     -18.0412      2.00000
     65     -17.8945      2.00000
     66     -17.8919      2.00000
     67     -17.8645      2.00000
     68     -17.8592      2.00000
     69     -17.7677      2.00000
     70     -17.7388      2.00000
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     89      -6.6051      2.00000
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    187       5.9161      0.00000
    188       5.9846      0.00000
    189       6.1518      0.00000
    190       6.1578      0.00000
    191       6.3123      0.00000
    192       6.3945      0.00000
    193       6.7278      0.00000
    194       6.8040      0.00000
    195       7.2225      0.00000
    196       7.3100      0.00000
    197       7.3775      0.00000
    198       7.4229      0.00000
    199       8.1923      0.00000
    200       8.2589      0.00000
    201       8.4560      0.00000
    202       8.5378      0.00000
    203       8.6248      0.00000
    204       8.6307      0.00000
    205       9.3061      0.00000
    206       9.4909      0.00000
    207       9.5014      0.00000
    208       9.5475      0.00000
    209       9.8926      0.00000
    210       9.9751      0.00000
    211      10.1308      0.00000
    212      10.1797      0.00000
    213      10.2712      0.00000
    214      10.4563      0.00000
    215      10.5744      0.00000
    216      10.6016      0.00000
    217      10.6373      0.00000
    218      10.7314      0.00000
    219      10.9122      0.00000
    220      10.9657      0.00000
    221      10.9869      0.00000
    222      11.0310      0.00000
    223      11.1591      0.00000
    224      11.2477      0.00000
    225      11.3019      0.00000
    226      11.3523      0.00000
    227      11.4968      0.00000
    228      11.5186      0.00000
    229      11.5918      0.00000
    230      11.6365      0.00000
    231      11.6509      0.00000
    232      11.6838      0.00000
    233      11.8139      0.00000
    234      11.8704      0.00000
    235      11.9000      0.00000
    236      11.9406      0.00000
    237      12.1632      0.00000
    238      12.1820      0.00000
    239      12.2710      0.00000
    240      12.3351      0.00000
    241      12.4453      0.00000
    242      12.4595      0.00000
    243      12.5250      0.00000
    244      12.6005      0.00000
    245      12.7377      0.00000
    246      12.7554      0.00000
    247      12.7876      0.00000
    248      12.8222      0.00000
    249      12.9419      0.00000
    250      12.9776      0.00000
    251      12.9966      0.00000
    252      13.0220      0.00000
    253      13.2032      0.00000
    254      13.2220      0.00000
    255      13.2457      0.00000
    256      13.3052      0.00000

 k-point    53 :      -0.0000   -0.2857    0.1250
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2652      2.00000
     42     -21.2097      2.00000
     43     -21.1810      2.00000
     44     -21.1679      2.00000
     45     -20.9572      2.00000
     46     -20.9271      2.00000
     47     -20.9161      2.00000
     48     -20.8940      2.00000
     49     -19.3168      2.00000
     50     -19.3026      2.00000
     51     -19.2894      2.00000
     52     -19.2722      2.00000
     53     -18.7079      2.00000
     54     -18.6769      2.00000
     55     -18.6627      2.00000
     56     -18.6472      2.00000
     57     -18.2616      2.00000
     58     -18.2027      2.00000
     59     -18.1882      2.00000
     60     -18.1678      2.00000
     61     -18.1407      2.00000
     62     -18.1207      2.00000
     63     -18.0603      2.00000
     64     -18.0347      2.00000
     65     -17.8971      2.00000
     66     -17.8897      2.00000
     67     -17.8690      2.00000
     68     -17.8557      2.00000
     69     -17.7903      2.00000
     70     -17.7132      2.00000
     71     -17.7058      2.00000
     72     -17.6476      2.00000
     73     -17.3147      2.00000
     74     -17.3058      2.00000
     75     -17.2892      2.00000
     76     -17.2778      2.00000
     77      -8.1933      2.00000
     78      -7.9246      2.00000
     79      -7.7981      2.00000
     80      -7.6322      2.00000
     81      -7.5873      2.00000
     82      -7.4588      2.00000
     83      -7.3672      2.00000
     84      -7.3007      2.00000
     85      -7.1419      2.00000
     86      -7.0934      2.00000
     87      -7.0709      2.00000
     88      -7.0430      2.00000
     89      -6.6270      2.00000
     90      -6.5533      2.00000
     91      -6.5410      2.00000
     92      -6.5196      2.00000
     93      -6.4307      2.00000
     94      -6.2903      2.00000
     95      -6.1280      2.00000
     96      -6.0773      2.00000
     97      -5.9166      2.00000
     98      -5.8192      2.00000
     99      -5.8046      2.00000
    100      -5.7032      2.00000
    101      -5.6732      2.00000
    102      -5.5783      2.00000
    103      -5.4190      2.00000
    104      -5.4101      2.00000
    105      -5.3486      2.00000
    106      -5.3026      2.00000
    107      -5.2705      2.00000
    108      -5.2218      2.00000
    109      -5.1934      2.00000
    110      -5.1622      2.00000
    111      -5.0672      2.00000
    112      -4.9966      2.00000
    113      -4.8010      2.00000
    114      -4.7031      2.00000
    115      -4.6748      2.00000
    116      -4.6417      2.00000
    117      -4.5866      2.00000
    118      -4.5207      2.00000
    119      -4.4784      2.00000
    120      -4.4306      2.00000
    121      -4.2281      2.00000
    122      -4.1552      2.00000
    123      -3.8763      2.00000
    124      -3.7522      2.00000
    125      -3.6746      2.00000
    126      -3.6185      2.00000
    127      -3.5582      2.00000
    128      -3.5513      2.00000
    129      -2.7489      2.00000
    130      -2.6175      2.00000
    131      -2.5096      2.00000
    132      -2.4552      2.00000
    133      -2.3670      2.00000
    134      -2.3485      2.00000
    135      -2.2399      2.00000
    136      -2.2008      2.00000
    137      -1.9501      2.00000
    138      -1.8576      2.00000
    139      -1.8454      2.00000
    140      -1.8085      2.00000
    141      -1.7604      2.00000
    142      -1.7494      2.00000
    143      -1.6473      2.00000
    144      -1.6082      2.00000
    145      -1.5438      2.00000
    146      -1.4997      2.00000
    147      -1.4472      2.00000
    148      -1.3884      2.00000
    149      -1.3350      2.00000
    150      -1.3077      2.00000
    151      -1.2854      2.00000
    152      -1.2635      2.00000
    153      -1.2121      2.00000
    154      -1.1826      2.00000
    155      -1.1248      2.00000
    156      -1.1201      2.00000
    157      -1.0987      2.00000
    158      -1.0775      2.00000
    159      -1.0059      2.00000
    160      -0.9733      2.00000
    161      -0.8811      2.00000
    162      -0.8495      2.00000
    163      -0.8284      2.00000
    164      -0.8047      2.00000
    165      -0.7833      2.00000
    166      -0.7359      2.00000
    167      -0.7079      2.00000
    168      -0.6712      2.00000
    169      -0.6294      2.00000
    170      -0.6102      2.00000
    171      -0.5851      2.00000
    172      -0.5302      2.00000
    173      -0.4860      2.00000
    174      -0.3883      2.00000
    175      -0.3643      2.00000
    176      -0.2275      2.00000
    177      -0.1815      2.00000
    178       0.0211      2.00000
    179       0.0776      2.00000
    180       0.1702      2.00000
    181       0.2948      2.00000
    182       0.3890      2.00000
    183       0.4177      2.00000
    184       0.4863      2.00000
    185       5.3011      0.00000
    186       5.7962      0.00000
    187       5.9255      0.00000
    188       6.1321      0.00000
    189       6.1558      0.00000
    190       6.1744      0.00000
    191       6.3164      0.00000
    192       6.4802      0.00000
    193       6.6655      0.00000
    194       6.8800      0.00000
    195       7.1878      0.00000
    196       7.2100      0.00000
    197       7.4369      0.00000
    198       7.5527      0.00000
    199       8.1570      0.00000
    200       8.2459      0.00000
    201       8.4393      0.00000
    202       8.5016      0.00000
    203       8.6495      0.00000
    204       8.7444      0.00000
    205       9.1744      0.00000
    206       9.3773      0.00000
    207       9.4943      0.00000
    208       9.7069      0.00000
    209       9.8372      0.00000
    210       9.9099      0.00000
    211       9.9733      0.00000
    212      10.1166      0.00000
    213      10.2371      0.00000
    214      10.3338      0.00000
    215      10.4231      0.00000
    216      10.6701      0.00000
    217      10.7398      0.00000
    218      10.8002      0.00000
    219      10.8904      0.00000
    220      11.0105      0.00000
    221      11.1058      0.00000
    222      11.1361      0.00000
    223      11.2171      0.00000
    224      11.2644      0.00000
    225      11.3263      0.00000
    226      11.3700      0.00000
    227      11.4316      0.00000
    228      11.4715      0.00000
    229      11.5979      0.00000
    230      11.6580      0.00000
    231      11.7351      0.00000
    232      11.7863      0.00000
    233      11.8238      0.00000
    234      11.8965      0.00000
    235      11.9686      0.00000
    236      12.0393      0.00000
    237      12.0662      0.00000
    238      12.1188      0.00000
    239      12.2217      0.00000
    240      12.3505      0.00000
    241      12.4053      0.00000
    242      12.4685      0.00000
    243      12.5641      0.00000
    244      12.6124      0.00000
    245      12.6544      0.00000
    246      12.7008      0.00000
    247      12.8003      0.00000
    248      12.8056      0.00000
    249      12.8982      0.00000
    250      12.9349      0.00000
    251      12.9780      0.00000
    252      13.0649      0.00000
    253      13.1781      0.00000
    254      13.2376      0.00000
    255      13.2925      0.00000
    256      13.3303      0.00000

 k-point    54 :       0.1667   -0.2857    0.1250
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2640      2.00000
     42     -21.2094      2.00000
     43     -21.1810      2.00000
     44     -21.1680      2.00000
     45     -20.9586      2.00000
     46     -20.9271      2.00000
     47     -20.9169      2.00000
     48     -20.8940      2.00000
     49     -19.3156      2.00000
     50     -19.3021      2.00000
     51     -19.2874      2.00000
     52     -19.2732      2.00000
     53     -18.7036      2.00000
     54     -18.6793      2.00000
     55     -18.6648      2.00000
     56     -18.6450      2.00000
     57     -18.2624      2.00000
     58     -18.2032      2.00000
     59     -18.1947      2.00000
     60     -18.1683      2.00000
     61     -18.1432      2.00000
     62     -18.1211      2.00000
     63     -18.0600      2.00000
     64     -18.0339      2.00000
     65     -17.8985      2.00000
     66     -17.8895      2.00000
     67     -17.8652      2.00000
     68     -17.8540      2.00000
     69     -17.7896      2.00000
     70     -17.7126      2.00000
     71     -17.7056      2.00000
     72     -17.6478      2.00000
     73     -17.3114      2.00000
     74     -17.3026      2.00000
     75     -17.2920      2.00000
     76     -17.2812      2.00000
     77      -8.2074      2.00000
     78      -7.9412      2.00000
     79      -7.7841      2.00000
     80      -7.6244      2.00000
     81      -7.5627      2.00000
     82      -7.4464      2.00000
     83      -7.3674      2.00000
     84      -7.2955      2.00000
     85      -7.1316      2.00000
     86      -7.0996      2.00000
     87      -7.0745      2.00000
     88      -7.0371      2.00000
     89      -6.6429      2.00000
     90      -6.5762      2.00000
     91      -6.5474      2.00000
     92      -6.5185      2.00000
     93      -6.4329      2.00000
     94      -6.2950      2.00000
     95      -6.1400      2.00000
     96      -6.0845      2.00000
     97      -5.9298      2.00000
     98      -5.8482      2.00000
     99      -5.8022      2.00000
    100      -5.6900      2.00000
    101      -5.6457      2.00000
    102      -5.5663      2.00000
    103      -5.4181      2.00000
    104      -5.3959      2.00000
    105      -5.3437      2.00000
    106      -5.2850      2.00000
    107      -5.2760      2.00000
    108      -5.2140      2.00000
    109      -5.1806      2.00000
    110      -5.1462      2.00000
    111      -5.0778      2.00000
    112      -5.0186      2.00000
    113      -4.8158      2.00000
    114      -4.7564      2.00000
    115      -4.6736      2.00000
    116      -4.6393      2.00000
    117      -4.5660      2.00000
    118      -4.5429      2.00000
    119      -4.4857      2.00000
    120      -4.4012      2.00000
    121      -4.2103      2.00000
    122      -4.1486      2.00000
    123      -3.8762      2.00000
    124      -3.7535      2.00000
    125      -3.6707      2.00000
    126      -3.6245      2.00000
    127      -3.5626      2.00000
    128      -3.5318      2.00000
    129      -2.7321      2.00000
    130      -2.6659      2.00000
    131      -2.4876      2.00000
    132      -2.4570      2.00000
    133      -2.3614      2.00000
    134      -2.3145      2.00000
    135      -2.2320      2.00000
    136      -2.1880      2.00000
    137      -1.9607      2.00000
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    139      -1.8617      2.00000
    140      -1.8056      2.00000
    141      -1.7757      2.00000
    142      -1.7274      2.00000
    143      -1.6592      2.00000
    144      -1.6127      2.00000
    145      -1.5374      2.00000
    146      -1.5030      2.00000
    147      -1.4250      2.00000
    148      -1.3827      2.00000
    149      -1.3428      2.00000
    150      -1.2877      2.00000
    151      -1.2652      2.00000
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    154      -1.1876      2.00000
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    157      -1.0952      2.00000
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    160      -0.9618      2.00000
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    178       0.0204      2.00000
    179       0.0752      2.00000
    180       0.1743      2.00000
    181       0.2893      2.00000
    182       0.3954      2.00000
    183       0.4256      2.00000
    184       0.4918      2.00000
    185       5.3972      0.00000
    186       5.7991      0.00000
    187       5.9034      0.00000
    188       6.1150      0.00000
    189       6.1569      0.00000
    190       6.2030      0.00000
    191       6.3001      0.00000
    192       6.4645      0.00000
    193       6.6607      0.00000
    194       6.8730      0.00000
    195       6.9506      0.00000
    196       7.1767      0.00000
    197       7.4550      0.00000
    198       7.4853      0.00000
    199       8.1857      0.00000
    200       8.3371      0.00000
    201       8.5119      0.00000
    202       8.5627      0.00000
    203       8.7507      0.00000
    204       8.9402      0.00000
    205       9.1902      0.00000
    206       9.2997      0.00000
    207       9.4948      0.00000
    208       9.7045      0.00000
    209       9.8204      0.00000
    210       9.9725      0.00000
    211       9.9999      0.00000
    212      10.1420      0.00000
    213      10.2290      0.00000
    214      10.2796      0.00000
    215      10.3937      0.00000
    216      10.5246      0.00000
    217      10.6771      0.00000
    218      10.7813      0.00000
    219      10.8829      0.00000
    220      10.9969      0.00000
    221      11.0262      0.00000
    222      11.0857      0.00000
    223      11.1123      0.00000
    224      11.1676      0.00000
    225      11.3197      0.00000
    226      11.3713      0.00000
    227      11.4418      0.00000
    228      11.5250      0.00000
    229      11.5908      0.00000
    230      11.6450      0.00000
    231      11.6906      0.00000
    232      11.7994      0.00000
    233      11.8445      0.00000
    234      11.8871      0.00000
    235      11.9565      0.00000
    236      12.1625      0.00000
    237      12.1763      0.00000
    238      12.2715      0.00000
    239      12.2983      0.00000
    240      12.3526      0.00000
    241      12.4027      0.00000
    242      12.5007      0.00000
    243      12.5961      0.00000
    244      12.6110      0.00000
    245      12.6870      0.00000
    246      12.7437      0.00000
    247      12.7529      0.00000
    248      12.7649      0.00000
    249      12.9252      0.00000
    250      12.9391      0.00000
    251      13.0143      0.00000
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    253      13.1066      0.00000
    254      13.2445      0.00000
    255      13.2572      0.00000
    256      13.3242      0.00000

 k-point    55 :       0.3333   -0.2857    0.1250
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
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    190       6.1734      0.00000
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    192       6.4464      0.00000
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    256      13.3430      0.00000

 k-point    56 :       0.5000   -0.2857    0.1250
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
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     11     -39.2154      2.00000
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     18     -39.2006      2.00000
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     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2624      2.00000
     42     -21.2091      2.00000
     43     -21.1811      2.00000
     44     -21.1681      2.00000
     45     -20.9604      2.00000
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     48     -20.8940      2.00000
     49     -19.3140      2.00000
     50     -19.3020      2.00000
     51     -19.2840      2.00000
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     53     -18.6967      2.00000
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     55     -18.6668      2.00000
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     57     -18.2630      2.00000
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     59     -18.2026      2.00000
     60     -18.1704      2.00000
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     63     -18.0591      2.00000
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     65     -17.9000      2.00000
     66     -17.8915      2.00000
     67     -17.8603      2.00000
     68     -17.8501      2.00000
     69     -17.7892      2.00000
     70     -17.7124      2.00000
     71     -17.7048      2.00000
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     87      -7.0740      2.00000
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     89      -6.6648      2.00000
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     95      -6.1520      2.00000
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 k-point    57 :      -0.3333   -0.2857    0.1250
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      3     -72.4428      2.00000
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      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2636      2.00000
     42     -21.2093      2.00000
     43     -21.1810      2.00000
     44     -21.1680      2.00000
     45     -20.9590      2.00000
     46     -20.9272      2.00000
     47     -20.9171      2.00000
     48     -20.8940      2.00000
     49     -19.3151      2.00000
     50     -19.3026      2.00000
     51     -19.2867      2.00000
     52     -19.2741      2.00000
     53     -18.7023      2.00000
     54     -18.6784      2.00000
     55     -18.6639      2.00000
     56     -18.6443      2.00000
     57     -18.2621      2.00000
     58     -18.2040      2.00000
     59     -18.1997      2.00000
     60     -18.1698      2.00000
     61     -18.1427      2.00000
     62     -18.1202      2.00000
     63     -18.0592      2.00000
     64     -18.0336      2.00000
     65     -17.8988      2.00000
     66     -17.8915      2.00000
     67     -17.8642      2.00000
     68     -17.8517      2.00000
     69     -17.7900      2.00000
     70     -17.7130      2.00000
     71     -17.7051      2.00000
     72     -17.6477      2.00000
     73     -17.3101      2.00000
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     75     -17.2929      2.00000
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     77      -8.2095      2.00000
     78      -7.9385      2.00000
     79      -7.7726      2.00000
     80      -7.6282      2.00000
     81      -7.5368      2.00000
     82      -7.4367      2.00000
     83      -7.3912      2.00000
     84      -7.3167      2.00000
     85      -7.1400      2.00000
     86      -7.1091      2.00000
     87      -7.0630      2.00000
     88      -7.0421      2.00000
     89      -6.6419      2.00000
     90      -6.5883      2.00000
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 k-point    58 :      -0.1667   -0.2857    0.1250
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     18     -39.2006      2.00000
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     22     -39.1838      2.00000
     23     -39.0468      2.00000
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     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
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     39     -38.4790      2.00000
     40     -38.4786      2.00000
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     44     -21.1679      2.00000
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     48     -20.8940      2.00000
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     63     -18.0599      2.00000
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     65     -17.8974      2.00000
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     67     -17.8685      2.00000
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     70     -17.7134      2.00000
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 k-point    59 :       0.0000   -0.1429    0.1250
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     10     -71.7455      2.00000
     11     -39.2154      2.00000
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     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
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     35     -38.5350      2.00000
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     37     -38.5041      2.00000
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     40     -38.4786      2.00000
     41     -21.2760      2.00000
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     43     -21.1851      2.00000
     44     -21.1697      2.00000
     45     -20.9660      2.00000
     46     -20.9342      2.00000
     47     -20.9067      2.00000
     48     -20.8865      2.00000
     49     -19.3190      2.00000
     50     -19.2987      2.00000
     51     -19.2942      2.00000
     52     -19.2691      2.00000
     53     -18.7155      2.00000
     54     -18.6706      2.00000
     55     -18.6665      2.00000
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     59     -18.1927      2.00000
     60     -18.1565      2.00000
     61     -18.1231      2.00000
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     63     -18.0686      2.00000
     64     -18.0308      2.00000
     65     -17.8996      2.00000
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     67     -17.8711      2.00000
     68     -17.8526      2.00000
     69     -17.8029      2.00000
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    180       0.1954      2.00000
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    182       0.3715      2.00000
    183       0.4380      2.00000
    184       0.5054      2.00000
    185       5.1359      0.00000
    186       5.7841      0.00000
    187       5.9359      0.00000
    188       6.0977      0.00000
    189       6.1497      0.00000
    190       6.2066      0.00000
    191       6.4715      0.00000
    192       6.5362      0.00000
    193       6.6266      0.00000
    194       6.9379      0.00000
    195       7.1511      0.00000
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    197       7.4607      0.00000
    198       7.5852      0.00000
    199       7.9271      0.00000
    200       8.2966      0.00000
    201       8.4832      0.00000
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    204       8.8730      0.00000
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    206       9.2852      0.00000
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    208       9.6115      0.00000
    209       9.6861      0.00000
    210       9.8372      0.00000
    211       9.9821      0.00000
    212      10.0307      0.00000
    213      10.2273      0.00000
    214      10.2865      0.00000
    215      10.3450      0.00000
    216      10.6041      0.00000
    217      10.6877      0.00000
    218      10.8541      0.00000
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    224      11.2932      0.00000
    225      11.3068      0.00000
    226      11.4068      0.00000
    227      11.4674      0.00000
    228      11.5765      0.00000
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    230      11.7023      0.00000
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    236      12.0070      0.00000
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 k-point    60 :       0.1667   -0.1429    0.1250
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      2     -72.4432      2.00000
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     11     -39.2154      2.00000
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     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2746      2.00000
     42     -21.1922      2.00000
     43     -21.1852      2.00000
     44     -21.1698      2.00000
     45     -20.9675      2.00000
     46     -20.9342      2.00000
     47     -20.9074      2.00000
     48     -20.8865      2.00000
     49     -19.3178      2.00000
     50     -19.2983      2.00000
     51     -19.2915      2.00000
     52     -19.2709      2.00000
     53     -18.7102      2.00000
     54     -18.6748      2.00000
     55     -18.6694      2.00000
     56     -18.6403      2.00000
     57     -18.2811      2.00000
     58     -18.2130      2.00000
     59     -18.2009      2.00000
     60     -18.1571      2.00000
     61     -18.1252      2.00000
     62     -18.1095      2.00000
     63     -18.0685      2.00000
     64     -18.0298      2.00000
     65     -17.9008      2.00000
     66     -17.8889      2.00000
     67     -17.8675      2.00000
     68     -17.8525      2.00000
     69     -17.8020      2.00000
     70     -17.7246      2.00000
     71     -17.6878      2.00000
     72     -17.6348      2.00000
     73     -17.3176      2.00000
     74     -17.3079      2.00000
     75     -17.2885      2.00000
     76     -17.2774      2.00000
     77      -8.2584      2.00000
     78      -7.8782      2.00000
     79      -7.8241      2.00000
     80      -7.6610      2.00000
     81      -7.5210      2.00000
     82      -7.4555      2.00000
     83      -7.3411      2.00000
     84      -7.2891      2.00000
     85      -7.1467      2.00000
     86      -7.1141      2.00000
     87      -7.0706      2.00000
     88      -7.0301      2.00000
     89      -6.6557      2.00000
     90      -6.5606      2.00000
     91      -6.5506      2.00000
     92      -6.5116      2.00000
     93      -6.4494      2.00000
     94      -6.2541      2.00000
     95      -6.1319      2.00000
     96      -6.0535      2.00000
     97      -5.9456      2.00000
     98      -5.8648      2.00000
     99      -5.7917      2.00000
    100      -5.6592      2.00000
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    103      -5.4654      2.00000
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    106      -5.3002      2.00000
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    110      -5.1191      2.00000
    111      -5.0696      2.00000
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    190       6.2013      0.00000
    191       6.3555      0.00000
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    211      10.0349      0.00000
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    226      11.4169      0.00000
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 k-point    61 :       0.3333   -0.1429    0.1250
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
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      5     -72.2770      2.00000
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     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2729      2.00000
     42     -21.1922      2.00000
     43     -21.1853      2.00000
     44     -21.1699      2.00000
     45     -20.9692      2.00000
     46     -20.9342      2.00000
     47     -20.9081      2.00000
     48     -20.8865      2.00000
     49     -19.3163      2.00000
     50     -19.2980      2.00000
     51     -19.2875      2.00000
     52     -19.2741      2.00000
     53     -18.7023      2.00000
     54     -18.6790      2.00000
     55     -18.6727      2.00000
     56     -18.6368      2.00000
     57     -18.2814      2.00000
     58     -18.2134      2.00000
     59     -18.2108      2.00000
     60     -18.1578      2.00000
     61     -18.1274      2.00000
     62     -18.1095      2.00000
     63     -18.0682      2.00000
     64     -18.0287      2.00000
     65     -17.9019      2.00000
     66     -17.8885      2.00000
     67     -17.8632      2.00000
     68     -17.8520      2.00000
     69     -17.8010      2.00000
     70     -17.7244      2.00000
     71     -17.6873      2.00000
     72     -17.6350      2.00000
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     84      -7.3004      2.00000
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     86      -7.1209      2.00000
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     90      -6.5952      2.00000
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    252      13.1057      0.00000
    253      13.2071      0.00000
    254      13.2204      0.00000
    255      13.2483      0.00000
    256      13.3655      0.00000

 k-point    62 :       0.5000   -0.1429    0.1250
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2727      2.00000
     42     -21.1922      2.00000
     43     -21.1853      2.00000
     44     -21.1699      2.00000
     45     -20.9694      2.00000
     46     -20.9342      2.00000
     47     -20.9083      2.00000
     48     -20.8865      2.00000
     49     -19.3159      2.00000
     50     -19.2984      2.00000
     51     -19.2866      2.00000
     52     -19.2751      2.00000
     53     -18.7013      2.00000
     54     -18.6789      2.00000
     55     -18.6722      2.00000
     56     -18.6364      2.00000
     57     -18.2813      2.00000
     58     -18.2144      2.00000
     59     -18.2131      2.00000
     60     -18.1581      2.00000
     61     -18.1272      2.00000
     62     -18.1091      2.00000
     63     -18.0678      2.00000
     64     -18.0285      2.00000
     65     -17.9018      2.00000
     66     -17.8893      2.00000
     67     -17.8627      2.00000
     68     -17.8517      2.00000
     69     -17.8010      2.00000
     70     -17.7245      2.00000
     71     -17.6872      2.00000
     72     -17.6350      2.00000
     73     -17.3065      2.00000
     74     -17.2985      2.00000
     75     -17.2966      2.00000
     76     -17.2881      2.00000
     77      -8.2743      2.00000
     78      -7.8863      2.00000
     79      -7.8052      2.00000
     80      -7.6610      2.00000
     81      -7.4697      2.00000
     82      -7.3970      2.00000
     83      -7.3762      2.00000
     84      -7.3223      2.00000
     85      -7.1479      2.00000
     86      -7.1130      2.00000
     87      -7.0723      2.00000
     88      -7.0357      2.00000
     89      -6.6755      2.00000
     90      -6.5995      2.00000
     91      -6.5319      2.00000
     92      -6.5262      2.00000
     93      -6.4607      2.00000
     94      -6.2584      2.00000
     95      -6.1369      2.00000
     96      -6.0552      2.00000
     97      -5.9624      2.00000
     98      -5.8820      2.00000
     99      -5.7496      2.00000
    100      -5.6396      2.00000
    101      -5.6125      2.00000
    102      -5.5347      2.00000
    103      -5.4638      2.00000
    104      -5.3831      2.00000
    105      -5.3457      2.00000
    106      -5.3151      2.00000
    107      -5.2973      2.00000
    108      -5.1823      2.00000
    109      -5.1440      2.00000
    110      -5.1017      2.00000
    111      -5.0518      2.00000
    112      -5.0337      2.00000
    113      -4.8818      2.00000
    114      -4.8287      2.00000
    115      -4.7417      2.00000
    116      -4.6308      2.00000
    117      -4.5796      2.00000
    118      -4.5465      2.00000
    119      -4.4598      2.00000
    120      -4.3458      2.00000
    121      -4.1787      2.00000
    122      -4.1328      2.00000
    123      -3.8672      2.00000
    124      -3.7883      2.00000
    125      -3.6623      2.00000
    126      -3.6379      2.00000
    127      -3.5922      2.00000
    128      -3.5031      2.00000
    129      -2.7272      2.00000
    130      -2.6847      2.00000
    131      -2.5686      2.00000
    132      -2.4743      2.00000
    133      -2.3953      2.00000
    134      -2.3682      2.00000
    135      -2.1574      2.00000
    136      -2.1331      2.00000
    137      -2.0904      2.00000
    138      -1.8807      2.00000
    139      -1.8436      2.00000
    140      -1.7844      2.00000
    141      -1.7508      2.00000
    142      -1.7184      2.00000
    143      -1.7097      2.00000
    144      -1.6056      2.00000
    145      -1.5298      2.00000
    146      -1.4640      2.00000
    147      -1.4064      2.00000
    148      -1.3634      2.00000
    149      -1.3418      2.00000
    150      -1.2883      2.00000
    151      -1.2588      2.00000
    152      -1.2111      2.00000
    153      -1.1760      2.00000
    154      -1.1564      2.00000
    155      -1.1514      2.00000
    156      -1.1204      2.00000
    157      -1.0910      2.00000
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    159      -1.0533      2.00000
    160      -1.0097      2.00000
    161      -0.8840      2.00000
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    163      -0.8194      2.00000
    164      -0.7710      2.00000
    165      -0.7683      2.00000
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    167      -0.7039      2.00000
    168      -0.6469      2.00000
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    177      -0.1517      2.00000
    178      -0.0167      2.00000
    179       0.1306      2.00000
    180       0.1951      2.00000
    181       0.2717      2.00000
    182       0.3922      2.00000
    183       0.4614      2.00000
    184       0.5194      2.00000
    185       5.4547      0.00000
    186       5.7835      0.00000
    187       5.8467      0.00000
    188       6.0538      0.00000
    189       6.1251      0.00000
    190       6.1604      0.00000
    191       6.1926      0.00000
    192       6.4975      0.00000
    193       6.6140      0.00000
    194       6.9109      0.00000
    195       7.0805      0.00000
    196       7.2344      0.00000
    197       7.4678      0.00000
    198       7.5701      0.00000
    199       8.0773      0.00000
    200       8.3381      0.00000
    201       8.4900      0.00000
    202       8.6627      0.00000
    203       8.8136      0.00000
    204       8.9252      0.00000
    205       9.2068      0.00000
    206       9.4055      0.00000
    207       9.5786      0.00000
    208       9.6842      0.00000
    209       9.7644      0.00000
    210       9.8855      0.00000
    211      10.0251      0.00000
    212      10.0828      0.00000
    213      10.2296      0.00000
    214      10.3517      0.00000
    215      10.3833      0.00000
    216      10.5610      0.00000
    217      10.5991      0.00000
    218      10.6898      0.00000
    219      10.7818      0.00000
    220      10.8750      0.00000
    221      10.9458      0.00000
    222      11.0308      0.00000
    223      11.0454      0.00000
    224      11.1581      0.00000
    225      11.2246      0.00000
    226      11.3512      0.00000
    227      11.3954      0.00000
    228      11.5262      0.00000
    229      11.5606      0.00000
    230      11.6308      0.00000
    231      11.7720      0.00000
    232      11.8682      0.00000
    233      11.9226      0.00000
    234      11.9884      0.00000
    235      12.0611      0.00000
    236      12.1224      0.00000
    237      12.2164      0.00000
    238      12.2440      0.00000
    239      12.3182      0.00000
    240      12.3782      0.00000
    241      12.4219      0.00000
    242      12.4678      0.00000
    243      12.5583      0.00000
    244      12.6199      0.00000
    245      12.6823      0.00000
    246      12.8146      0.00000
    247      12.8907      0.00000
    248      12.9397      0.00000
    249      12.9780      0.00000
    250      13.0634      0.00000
    251      13.0948      0.00000
    252      13.1565      0.00000
    253      13.1816      0.00000
    254      13.2549      0.00000
    255      13.3625      0.00000
    256      13.4037      0.00000

 k-point    63 :      -0.3333   -0.1429    0.1250
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2741      2.00000
     42     -21.1923      2.00000
     43     -21.1852      2.00000
     44     -21.1698      2.00000
     45     -20.9679      2.00000
     46     -20.9342      2.00000
     47     -20.9076      2.00000
     48     -20.8865      2.00000
     49     -19.3171      2.00000
     50     -19.2990      2.00000
     51     -19.2905      2.00000
     52     -19.2722      2.00000
     53     -18.7086      2.00000
     54     -18.6741      2.00000
     55     -18.6685      2.00000
     56     -18.6396      2.00000
     57     -18.2810      2.00000
     58     -18.2148      2.00000
     59     -18.2057      2.00000
     60     -18.1575      2.00000
     61     -18.1250      2.00000
     62     -18.1086      2.00000
     63     -18.0675      2.00000
     64     -18.0295      2.00000
     65     -17.9006      2.00000
     66     -17.8906      2.00000
     67     -17.8662      2.00000
     68     -17.8518      2.00000
     69     -17.8020      2.00000
     70     -17.7249      2.00000
     71     -17.6875      2.00000
     72     -17.6348      2.00000
     73     -17.3157      2.00000
     74     -17.3062      2.00000
     75     -17.2899      2.00000
     76     -17.2788      2.00000
     77      -8.2610      2.00000
     78      -7.8739      2.00000
     79      -7.8093      2.00000
     80      -7.6701      2.00000
     81      -7.4908      2.00000
     82      -7.4421      2.00000
     83      -7.3735      2.00000
     84      -7.3208      2.00000
     85      -7.1470      2.00000
     86      -7.1014      2.00000
     87      -7.0703      2.00000
     88      -7.0396      2.00000
     89      -6.6544      2.00000
     90      -6.5717      2.00000
     91      -6.5402      2.00000
     92      -6.5179      2.00000
     93      -6.4585      2.00000
     94      -6.2543      2.00000
     95      -6.1328      2.00000
     96      -6.0484      2.00000
     97      -5.9446      2.00000
     98      -5.8605      2.00000
     99      -5.7645      2.00000
    100      -5.6602      2.00000
    101      -5.6268      2.00000
    102      -5.5376      2.00000
    103      -5.4691      2.00000
    104      -5.4098      2.00000
    105      -5.3508      2.00000
    106      -5.3155      2.00000
    107      -5.2658      2.00000
    108      -5.2056      2.00000
    109      -5.1987      2.00000
    110      -5.0954      2.00000
    111      -5.0631      2.00000
    112      -4.9808      2.00000
    113      -4.8650      2.00000
    114      -4.7839      2.00000
    115      -4.7369      2.00000
    116      -4.6406      2.00000
    117      -4.5523      2.00000
    118      -4.5465      2.00000
    119      -4.4738      2.00000
    120      -4.3675      2.00000
    121      -4.2059      2.00000
    122      -4.1210      2.00000
    123      -3.8906      2.00000
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    125      -3.6676      2.00000
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    128      -3.5239      2.00000
    129      -2.7304      2.00000
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    132      -2.4825      2.00000
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    140      -1.7733      2.00000
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    150      -1.2859      2.00000
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    160      -0.9751      2.00000
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    182       0.3860      2.00000
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    184       0.5137      2.00000
    185       5.2869      0.00000
    186       5.7850      0.00000
    187       5.8724      0.00000
    188       6.1073      0.00000
    189       6.1559      0.00000
    190       6.1924      0.00000
    191       6.3024      0.00000
    192       6.5129      0.00000
    193       6.6190      0.00000
    194       6.9054      0.00000
    195       7.0758      0.00000
    196       7.2228      0.00000
    197       7.4892      0.00000
    198       7.6222      0.00000
    199       8.0044      0.00000
    200       8.3203      0.00000
    201       8.4851      0.00000
    202       8.5837      0.00000
    203       8.7891      0.00000
    204       8.9722      0.00000
    205       9.0840      0.00000
    206       9.3585      0.00000
    207       9.5370      0.00000
    208       9.6708      0.00000
    209       9.7442      0.00000
    210       9.8946      0.00000
    211      10.0625      0.00000
    212      10.0990      0.00000
    213      10.1810      0.00000
    214      10.3228      0.00000
    215      10.3596      0.00000
    216      10.5005      0.00000
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    218      10.7392      0.00000
    219      10.8842      0.00000
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    221      10.9495      0.00000
    222      11.1022      0.00000
    223      11.1880      0.00000
    224      11.1887      0.00000
    225      11.2284      0.00000
    226      11.3392      0.00000
    227      11.4662      0.00000
    228      11.5337      0.00000
    229      11.6423      0.00000
    230      11.6730      0.00000
    231      11.7223      0.00000
    232      11.8448      0.00000
    233      11.8660      0.00000
    234      11.9087      0.00000
    235      11.9727      0.00000
    236      12.0627      0.00000
    237      12.2097      0.00000
    238      12.2445      0.00000
    239      12.3223      0.00000
    240      12.3422      0.00000
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    242      12.4805      0.00000
    243      12.5756      0.00000
    244      12.6410      0.00000
    245      12.6567      0.00000
    246      12.7428      0.00000
    247      12.8172      0.00000
    248      12.8958      0.00000
    249      12.9328      0.00000
    250      13.0143      0.00000
    251      13.0671      0.00000
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    253      13.1696      0.00000
    254      13.1941      0.00000
    255      13.3661      0.00000
    256      13.4134      0.00000

 k-point    64 :      -0.1667   -0.1429    0.1250
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2757      2.00000
     42     -21.1923      2.00000
     43     -21.1851      2.00000
     44     -21.1697      2.00000
     45     -20.9662      2.00000
     46     -20.9342      2.00000
     47     -20.9068      2.00000
     48     -20.8865      2.00000
     49     -19.3187      2.00000
     50     -19.2991      2.00000
     51     -19.2939      2.00000
     52     -19.2697      2.00000
     53     -18.7148      2.00000
     54     -18.6701      2.00000
     55     -18.6660      2.00000
     56     -18.6437      2.00000
     57     -18.2808      2.00000
     58     -18.2146      2.00000
     59     -18.1953      2.00000
     60     -18.1568      2.00000
     61     -18.1229      2.00000
     62     -18.1084      2.00000
     63     -18.0680      2.00000
     64     -18.0307      2.00000
     65     -17.8996      2.00000
     66     -17.8912      2.00000
     67     -17.8704      2.00000
     68     -17.8523      2.00000
     69     -17.8029      2.00000
     70     -17.7251      2.00000
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    188       6.0931      0.00000
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    190       6.2022      0.00000
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    210       9.8664      0.00000
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    256      13.4094      0.00000

 k-point    65 :      -0.0000    0.0000    0.2500
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      2     -72.4432      2.00000
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      6     -72.2767      2.00000
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     11     -39.2154      2.00000
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     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2690      2.00000
     42     -21.1979      2.00000
     43     -21.1810      2.00000
     44     -21.1750      2.00000
     45     -20.9656      2.00000
     46     -20.9410      2.00000
     47     -20.9012      2.00000
     48     -20.8861      2.00000
     49     -19.3150      2.00000
     50     -19.2970      2.00000
     51     -19.2935      2.00000
     52     -19.2713      2.00000
     53     -18.7124      2.00000
     54     -18.6769      2.00000
     55     -18.6679      2.00000
     56     -18.6476      2.00000
     57     -18.2844      2.00000
     58     -18.2361      2.00000
     59     -18.1808      2.00000
     60     -18.1363      2.00000
     61     -18.1098      2.00000
     62     -18.1065      2.00000
     63     -18.0735      2.00000
     64     -18.0516      2.00000
     65     -17.8957      2.00000
     66     -17.8859      2.00000
     67     -17.8683      2.00000
     68     -17.8517      2.00000
     69     -17.8026      2.00000
     70     -17.7431      2.00000
     71     -17.6744      2.00000
     72     -17.6359      2.00000
     73     -17.3190      2.00000
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     75     -17.2839      2.00000
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     77      -8.1934      2.00000
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     80      -7.6906      2.00000
     81      -7.5892      2.00000
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     84      -7.3066      2.00000
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     86      -7.1123      2.00000
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     88      -7.0381      2.00000
     89      -6.6239      2.00000
     90      -6.5664      2.00000
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     92      -6.5201      2.00000
     93      -6.3869      2.00000
     94      -6.1946      2.00000
     95      -6.1479      2.00000
     96      -6.0552      2.00000
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     98      -5.8581      2.00000
     99      -5.7954      2.00000
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 k-point    66 :       0.1667    0.0000    0.2500
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2674      2.00000
     42     -21.1982      2.00000
     43     -21.1811      2.00000
     44     -21.1750      2.00000
     45     -20.9674      2.00000
     46     -20.9406      2.00000
     47     -20.9018      2.00000
     48     -20.8861      2.00000
     49     -19.3142      2.00000
     50     -19.2938      2.00000
     51     -19.2926      2.00000
     52     -19.2737      2.00000
     53     -18.7066      2.00000
     54     -18.6806      2.00000
     55     -18.6729      2.00000
     56     -18.6430      2.00000
     57     -18.2841      2.00000
     58     -18.2362      2.00000
     59     -18.1898      2.00000
     60     -18.1371      2.00000
     61     -18.1119      2.00000
     62     -18.1073      2.00000
     63     -18.0732      2.00000
     64     -18.0483      2.00000
     65     -17.8989      2.00000
     66     -17.8828      2.00000
     67     -17.8647      2.00000
     68     -17.8517      2.00000
     69     -17.8024      2.00000
     70     -17.7425      2.00000
     71     -17.6741      2.00000
     72     -17.6362      2.00000
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     77      -8.2111      2.00000
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     84      -7.3308      2.00000
     85      -7.1496      2.00000
     86      -7.1341      2.00000
     87      -7.0607      2.00000
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     89      -6.6479      2.00000
     90      -6.5563      2.00000
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     95      -6.1483      2.00000
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    231      11.6554      0.00000
    232      11.7683      0.00000
    233      11.8580      0.00000
    234      11.9499      0.00000
    235      12.0026      0.00000
    236      12.1568      0.00000
    237      12.1972      0.00000
    238      12.2694      0.00000
    239      12.2789      0.00000
    240      12.3359      0.00000
    241      12.4639      0.00000
    242      12.4880      0.00000
    243      12.5710      0.00000
    244      12.6155      0.00000
    245      12.6296      0.00000
    246      12.6942      0.00000
    247      12.8634      0.00000
    248      12.8986      0.00000
    249      12.9625      0.00000
    250      13.0310      0.00000
    251      13.0432      0.00000
    252      13.1668      0.00000
    253      13.1911      0.00000
    254      13.2289      0.00000
    255      13.3319      0.00000
    256      13.4076      0.00000

 k-point    69 :      -0.3333    0.0000    0.2500
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2683      2.00000
     42     -21.1980      2.00000
     43     -21.1811      2.00000
     44     -21.1751      2.00000
     45     -20.9663      2.00000
     46     -20.9408      2.00000
     47     -20.9015      2.00000
     48     -20.8861      2.00000
     49     -19.3139      2.00000
     50     -19.2953      2.00000
     51     -19.2948      2.00000
     52     -19.2736      2.00000
     53     -18.7097      2.00000
     54     -18.6750      2.00000
     55     -18.6680      2.00000
     56     -18.6461      2.00000
     57     -18.2848      2.00000
     58     -18.2388      2.00000
     59     -18.1877      2.00000
     60     -18.1376      2.00000
     61     -18.1097      2.00000
     62     -18.1055      2.00000
     63     -18.0716      2.00000
     64     -18.0497      2.00000
     65     -17.8962      2.00000
     66     -17.8867      2.00000
     67     -17.8664      2.00000
     68     -17.8525      2.00000
     69     -17.8022      2.00000
     70     -17.7436      2.00000
     71     -17.6741      2.00000
     72     -17.6358      2.00000
     73     -17.3164      2.00000
     74     -17.3091      2.00000
     75     -17.2858      2.00000
     76     -17.2769      2.00000
     77      -8.1984      2.00000
     78      -7.8482      2.00000
     79      -7.7783      2.00000
     80      -7.7084      2.00000
     81      -7.5898      2.00000
     82      -7.5230      2.00000
     83      -7.3840      2.00000
     84      -7.3520      2.00000
     85      -7.1435      2.00000
     86      -7.0837      2.00000
     87      -7.0709      2.00000
     88      -7.0564      2.00000
     89      -6.6320      2.00000
     90      -6.5509      2.00000
     91      -6.5399      2.00000
     92      -6.5254      2.00000
     93      -6.3993      2.00000
     94      -6.1952      2.00000
     95      -6.1484      2.00000
     96      -6.0495      2.00000
     97      -5.9257      2.00000
     98      -5.8274      2.00000
     99      -5.7907      2.00000
    100      -5.5934      2.00000
    101      -5.5680      2.00000
    102      -5.5316      2.00000
    103      -5.4907      2.00000
    104      -5.4036      2.00000
    105      -5.3773      2.00000
    106      -5.3572      2.00000
    107      -5.2722      2.00000
    108      -5.2416      2.00000
    109      -5.2232      2.00000
    110      -5.0949      2.00000
    111      -5.0476      2.00000
    112      -4.9682      2.00000
    113      -4.8608      2.00000
    114      -4.7695      2.00000
    115      -4.7654      2.00000
    116      -4.6669      2.00000
    117      -4.5650      2.00000
    118      -4.5354      2.00000
    119      -4.4758      2.00000
    120      -4.3916      2.00000
    121      -4.1759      2.00000
    122      -4.0621      2.00000
    123      -3.9293      2.00000
    124      -3.8307      2.00000
    125      -3.7071      2.00000
    126      -3.6309      2.00000
    127      -3.5847      2.00000
    128      -3.5522      2.00000
    129      -2.6831      2.00000
    130      -2.6684      2.00000
    131      -2.5706      2.00000
    132      -2.5049      2.00000
    133      -2.3852      2.00000
    134      -2.3099      2.00000
    135      -2.1326      2.00000
    136      -2.0828      2.00000
    137      -1.9082      2.00000
    138      -1.8647      2.00000
    139      -1.8561      2.00000
    140      -1.7949      2.00000
    141      -1.7746      2.00000
    142      -1.7715      2.00000
    143      -1.6977      2.00000
    144      -1.5766      2.00000
    145      -1.5204      2.00000
    146      -1.4638      2.00000
    147      -1.4299      2.00000
    148      -1.3794      2.00000
    149      -1.3146      2.00000
    150      -1.3093      2.00000
    151      -1.2986      2.00000
    152      -1.2809      2.00000
    153      -1.2202      2.00000
    154      -1.1795      2.00000
    155      -1.1314      2.00000
    156      -1.0842      2.00000
    157      -1.0802      2.00000
    158      -1.0572      2.00000
    159      -1.0138      2.00000
    160      -1.0002      2.00000
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    162      -0.8599      2.00000
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    166      -0.7289      2.00000
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    168      -0.6864      2.00000
    169      -0.6773      2.00000
    170      -0.6071      2.00000
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    175      -0.4064      2.00000
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    177      -0.1837      2.00000
    178      -0.0750      2.00000
    179       0.1554      2.00000
    180       0.1649      2.00000
    181       0.2990      2.00000
    182       0.3663      2.00000
    183       0.4673      2.00000
    184       0.5129      2.00000
    185       5.3171      0.00000
    186       5.8360      0.00000
    187       5.9175      0.00000
    188       6.0850      0.00000
    189       6.1282      0.00000
    190       6.1842      0.00000
    191       6.4671      0.00000
    192       6.5750      0.00000
    193       6.5787      0.00000
    194       6.8371      0.00000
    195       6.8987      0.00000
    196       7.2383      0.00000
    197       7.4302      0.00000
    198       7.7299      0.00000
    199       7.9623      0.00000
    200       8.5713      0.00000
    201       8.5796      0.00000
    202       8.6223      0.00000
    203       8.9124      0.00000
    204       8.9798      0.00000
    205       9.0288      0.00000
    206       9.1817      0.00000
    207       9.2622      0.00000
    208       9.3918      0.00000
    209       9.7043      0.00000
    210       9.9678      0.00000
    211      10.1028      0.00000
    212      10.1700      0.00000
    213      10.1860      0.00000
    214      10.2770      0.00000
    215      10.4043      0.00000
    216      10.4361      0.00000
    217      10.7095      0.00000
    218      10.7934      0.00000
    219      10.8792      0.00000
    220      10.9435      0.00000
    221      11.0615      0.00000
    222      11.1120      0.00000
    223      11.1611      0.00000
    224      11.1658      0.00000
    225      11.3024      0.00000
    226      11.3496      0.00000
    227      11.4672      0.00000
    228      11.4901      0.00000
    229      11.6108      0.00000
    230      11.6420      0.00000
    231      11.6884      0.00000
    232      11.8267      0.00000
    233      11.8328      0.00000
    234      11.9494      0.00000
    235      12.0117      0.00000
    236      12.0969      0.00000
    237      12.1207      0.00000
    238      12.2092      0.00000
    239      12.3168      0.00000
    240      12.3292      0.00000
    241      12.4337      0.00000
    242      12.4551      0.00000
    243      12.5456      0.00000
    244      12.6070      0.00000
    245      12.6541      0.00000
    246      12.6937      0.00000
    247      12.8344      0.00000
    248      12.8346      0.00000
    249      12.9697      0.00000
    250      13.0036      0.00000
    251      13.0227      0.00000
    252      13.1284      0.00000
    253      13.1315      0.00000
    254      13.2783      0.00000
    255      13.3045      0.00000
    256      13.3845      0.00000

 k-point    70 :      -0.1667    0.0000    0.2500
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2695      2.00000
     42     -21.1978      2.00000
     43     -21.1810      2.00000
     44     -21.1751      2.00000
     45     -20.9651      2.00000
     46     -20.9411      2.00000
     47     -20.9011      2.00000
     48     -20.8861      2.00000
     49     -19.3148      2.00000
     50     -19.2977      2.00000
     51     -19.2946      2.00000
     52     -19.2714      2.00000
     53     -18.7136      2.00000
     54     -18.6735      2.00000
     55     -18.6659      2.00000
     56     -18.6497      2.00000
     57     -18.2848      2.00000
     58     -18.2374      2.00000
     59     -18.1798      2.00000
     60     -18.1366      2.00000
     61     -18.1087      2.00000
     62     -18.1055      2.00000
     63     -18.0726      2.00000
     64     -18.0524      2.00000
     65     -17.8943      2.00000
     66     -17.8880      2.00000
     67     -17.8691      2.00000
     68     -17.8521      2.00000
     69     -17.8025      2.00000
     70     -17.7436      2.00000
     71     -17.6744      2.00000
     72     -17.6357      2.00000
     73     -17.3204      2.00000
     74     -17.3129      2.00000
     75     -17.2824      2.00000
     76     -17.2734      2.00000
     77      -8.1865      2.00000
     78      -7.8480      2.00000
     79      -7.8005      2.00000
     80      -7.6985      2.00000
     81      -7.5926      2.00000
     82      -7.5690      2.00000
     83      -7.3770      2.00000
     84      -7.3157      2.00000
     85      -7.1489      2.00000
     86      -7.0829      2.00000
     87      -7.0716      2.00000
     88      -7.0549      2.00000
     89      -6.6177      2.00000
     90      -6.5631      2.00000
     91      -6.5243      2.00000
     92      -6.5108      2.00000
     93      -6.3952      2.00000
     94      -6.1915      2.00000
     95      -6.1481      2.00000
     96      -6.0491      2.00000
     97      -5.9091      2.00000
     98      -5.8512      2.00000
     99      -5.7858      2.00000
    100      -5.6181      2.00000
    101      -5.5797      2.00000
    102      -5.5735      2.00000
    103      -5.4486      2.00000
    104      -5.4222      2.00000
    105      -5.3694      2.00000
    106      -5.3253      2.00000
    107      -5.3039      2.00000
    108      -5.2949      2.00000
    109      -5.1948      2.00000
    110      -5.0943      2.00000
    111      -5.0870      2.00000
    112      -4.9591      2.00000
    113      -4.8257      2.00000
    114      -4.7380      2.00000
    115      -4.6926      2.00000
    116      -4.6551      2.00000
    117      -4.6099      2.00000
    118      -4.4893      2.00000
    119      -4.4707      2.00000
    120      -4.4360      2.00000
    121      -4.2023      2.00000
    122      -4.0514      2.00000
    123      -3.9612      2.00000
    124      -3.8134      2.00000
    125      -3.7188      2.00000
    126      -3.6162      2.00000
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    128      -3.5696      2.00000
    129      -2.7173      2.00000
    130      -2.6706      2.00000
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    132      -2.4705      2.00000
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    140      -1.7951      2.00000
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    148      -1.3631      2.00000
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    150      -1.3317      2.00000
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    160      -0.9497      2.00000
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    179       0.1630      2.00000
    180       0.1695      2.00000
    181       0.2986      2.00000
    182       0.3529      2.00000
    183       0.4593      2.00000
    184       0.5089      2.00000
    185       5.2213      0.00000
    186       5.8331      0.00000
    187       5.9744      0.00000
    188       6.0695      0.00000
    189       6.1252      0.00000
    190       6.2078      0.00000
    191       6.5546      0.00000
    192       6.5963      0.00000
    193       6.6184      0.00000
    194       6.9160      0.00000
    195       6.9347      0.00000
    196       7.0560      0.00000
    197       7.6166      0.00000
    198       7.6477      0.00000
    199       7.7550      0.00000
    200       8.5260      0.00000
    201       8.7054      0.00000
    202       8.7512      0.00000
    203       8.8285      0.00000
    204       8.8674      0.00000
    205       9.0593      0.00000
    206       9.2526      0.00000
    207       9.2571      0.00000
    208       9.2751      0.00000
    209       9.6624      0.00000
    210       9.9053      0.00000
    211      10.1034      0.00000
    212      10.1536      0.00000
    213      10.1604      0.00000
    214      10.3534      0.00000
    215      10.3878      0.00000
    216      10.4340      0.00000
    217      10.6998      0.00000
    218      10.8338      0.00000
    219      10.8520      0.00000
    220      11.0434      0.00000
    221      11.0482      0.00000
    222      11.1467      0.00000
    223      11.1696      0.00000
    224      11.2167      0.00000
    225      11.3703      0.00000
    226      11.3736      0.00000
    227      11.5203      0.00000
    228      11.5484      0.00000
    229      11.5555      0.00000
    230      11.5760      0.00000
    231      11.8173      0.00000
    232      11.8303      0.00000
    233      11.9241      0.00000
    234      11.9347      0.00000
    235      11.9548      0.00000
    236      12.0970      0.00000
    237      12.1098      0.00000
    238      12.2093      0.00000
    239      12.2855      0.00000
    240      12.3217      0.00000
    241      12.4154      0.00000
    242      12.4543      0.00000
    243      12.4891      0.00000
    244      12.5572      0.00000
    245      12.6288      0.00000
    246      12.7251      0.00000
    247      12.8032      0.00000
    248      12.8295      0.00000
    249      12.8414      0.00000
    250      12.9035      0.00000
    251      13.0511      0.00000
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    253      13.1551      0.00000
    254      13.2545      0.00000
    255      13.2799      0.00000
    256      13.3921      0.00000

 k-point    71 :      -0.0000    0.1429    0.2500
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2655      2.00000
     42     -21.1962      2.00000
     43     -21.1893      2.00000
     44     -21.1723      2.00000
     45     -20.9626      2.00000
     46     -20.9384      2.00000
     47     -20.9045      2.00000
     48     -20.8889      2.00000
     49     -19.3142      2.00000
     50     -19.2958      2.00000
     51     -19.2944      2.00000
     52     -19.2723      2.00000
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 k-point    72 :       0.1667    0.1429    0.2500
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      2     -72.4432      2.00000
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     18     -39.2006      2.00000
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     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
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     48     -20.8889      2.00000
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     65     -17.8980      2.00000
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     69     -17.7977      2.00000
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     73     -17.3108      2.00000
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 k-point    73 :       0.3333    0.1429    0.2500
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
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      5     -72.2770      2.00000
      6     -72.2767      2.00000
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     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
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     38     -38.5038      2.00000
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     40     -38.4786      2.00000
     41     -21.2628      2.00000
     42     -21.1967      2.00000
     43     -21.1893      2.00000
     44     -21.1724      2.00000
     45     -20.9655      2.00000
     46     -20.9379      2.00000
     47     -20.9056      2.00000
     48     -20.8889      2.00000
     49     -19.3126      2.00000
     50     -19.2943      2.00000
     51     -19.2892      2.00000
     52     -19.2772      2.00000
     53     -18.6992      2.00000
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     55     -18.6774      2.00000
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     60     -18.1446      2.00000
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     62     -18.1100      2.00000
     63     -18.0700      2.00000
     64     -18.0460      2.00000
     65     -17.8999      2.00000
     66     -17.8831      2.00000
     67     -17.8620      2.00000
     68     -17.8515      2.00000
     69     -17.7976      2.00000
     70     -17.7366      2.00000
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 k-point    74 :       0.5000    0.1429    0.2500
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     18     -39.2006      2.00000
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     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2632      2.00000
     42     -21.1966      2.00000
     43     -21.1893      2.00000
     44     -21.1724      2.00000
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     48     -20.8889      2.00000
     49     -19.3125      2.00000
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     51     -19.2900      2.00000
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     55     -18.6737      2.00000
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     59     -18.1956      2.00000
     60     -18.1447      2.00000
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     63     -18.0693      2.00000
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     65     -17.8987      2.00000
     66     -17.8847      2.00000
     67     -17.8633      2.00000
     68     -17.8514      2.00000
     69     -17.7978      2.00000
     70     -17.7370      2.00000
     71     -17.6809      2.00000
     72     -17.6410      2.00000
     73     -17.3071      2.00000
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     77      -8.1986      2.00000
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 k-point    75 :      -0.3333    0.1429    0.2500
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      3     -72.4428      2.00000
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      5     -72.2770      2.00000
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     10     -71.7455      2.00000
     11     -39.2154      2.00000
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     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
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     37     -38.5041      2.00000
     38     -38.5038      2.00000
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     40     -38.4786      2.00000
     41     -21.2648      2.00000
     42     -21.1963      2.00000
     43     -21.1894      2.00000
     44     -21.1723      2.00000
     45     -20.9633      2.00000
     46     -20.9383      2.00000
     47     -20.9048      2.00000
     48     -20.8889      2.00000
     49     -19.3133      2.00000
     50     -19.2963      2.00000
     51     -19.2935      2.00000
     52     -19.2744      2.00000
     53     -18.7073      2.00000
     54     -18.6741      2.00000
     55     -18.6690      2.00000
     56     -18.6475      2.00000
     57     -18.2781      2.00000
     58     -18.2337      2.00000
     59     -18.1872      2.00000
     60     -18.1436      2.00000
     61     -18.1162      2.00000
     62     -18.1081      2.00000
     63     -18.0694      2.00000
     64     -18.0497      2.00000
     65     -17.8956      2.00000
     66     -17.8868      2.00000
     67     -17.8673      2.00000
     68     -17.8521      2.00000
     69     -17.7981      2.00000
     70     -17.7374      2.00000
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    209       9.7147      0.00000
    210       9.9532      0.00000
    211      10.0958      0.00000
    212      10.1899      0.00000
    213      10.2467      0.00000
    214      10.2705      0.00000
    215      10.4087      0.00000
    216      10.4492      0.00000
    217      10.6729      0.00000
    218      10.7300      0.00000
    219      10.8548      0.00000
    220      10.9577      0.00000
    221      11.0343      0.00000
    222      11.1130      0.00000
    223      11.1569      0.00000
    224      11.1884      0.00000
    225      11.2673      0.00000
    226      11.3548      0.00000
    227      11.4575      0.00000
    228      11.5018      0.00000
    229      11.5679      0.00000
    230      11.6366      0.00000
    231      11.6896      0.00000
    232      11.8104      0.00000
    233      11.8781      0.00000
    234      11.9002      0.00000
    235      11.9817      0.00000
    236      12.0686      0.00000
    237      12.1680      0.00000
    238      12.2059      0.00000
    239      12.2615      0.00000
    240      12.3667      0.00000
    241      12.4032      0.00000
    242      12.4763      0.00000
    243      12.5525      0.00000
    244      12.6207      0.00000
    245      12.6387      0.00000
    246      12.7522      0.00000
    247      12.8059      0.00000
    248      12.8671      0.00000
    249      12.9644      0.00000
    250      13.0068      0.00000
    251      13.0195      0.00000
    252      13.0975      0.00000
    253      13.1095      0.00000
    254      13.2592      0.00000
    255      13.3344      0.00000
    256      13.3648      0.00000

 k-point    76 :      -0.1667    0.1429    0.2500
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2659      2.00000
     42     -21.1961      2.00000
     43     -21.1894      2.00000
     44     -21.1723      2.00000
     45     -20.9621      2.00000
     46     -20.9385      2.00000
     47     -20.9043      2.00000
     48     -20.8889      2.00000
     49     -19.3142      2.00000
     50     -19.2960      2.00000
     51     -19.2958      2.00000
     52     -19.2724      2.00000
     53     -18.7110      2.00000
     54     -18.6721      2.00000
     55     -18.6682      2.00000
     56     -18.6505      2.00000
     57     -18.2780      2.00000
     58     -18.2325      2.00000
     59     -18.1795      2.00000
     60     -18.1424      2.00000
     61     -18.1155      2.00000
     62     -18.1079      2.00000
     63     -18.0705      2.00000
     64     -18.0520      2.00000
     65     -17.8937      2.00000
     66     -17.8874      2.00000
     67     -17.8699      2.00000
     68     -17.8528      2.00000
     69     -17.7983      2.00000
     70     -17.7374      2.00000
     71     -17.6817      2.00000
     72     -17.6406      2.00000
     73     -17.3177      2.00000
     74     -17.3107      2.00000
     75     -17.2840      2.00000
     76     -17.2749      2.00000
     77      -8.1701      2.00000
     78      -7.8314      2.00000
     79      -7.8196      2.00000
     80      -7.6915      2.00000
     81      -7.5970      2.00000
     82      -7.5564      2.00000
     83      -7.3904      2.00000
     84      -7.3302      2.00000
     85      -7.1487      2.00000
     86      -7.0860      2.00000
     87      -7.0716      2.00000
     88      -7.0485      2.00000
     89      -6.6138      2.00000
     90      -6.5622      2.00000
     91      -6.5282      2.00000
     92      -6.5191      2.00000
     93      -6.3887      2.00000
     94      -6.2066      2.00000
     95      -6.1463      2.00000
     96      -6.0611      2.00000
     97      -5.9084      2.00000
     98      -5.8464      2.00000
     99      -5.7699      2.00000
    100      -5.6551      2.00000
    101      -5.6031      2.00000
    102      -5.5532      2.00000
    103      -5.4319      2.00000
    104      -5.4081      2.00000
    105      -5.3855      2.00000
    106      -5.3162      2.00000
    107      -5.2978      2.00000
    108      -5.2771      2.00000
    109      -5.1980      2.00000
    110      -5.1041      2.00000
    111      -5.0894      2.00000
    112      -4.9723      2.00000
    113      -4.8203      2.00000
    114      -4.7348      2.00000
    115      -4.6981      2.00000
    116      -4.6572      2.00000
    117      -4.6035      2.00000
    118      -4.4972      2.00000
    119      -4.4769      2.00000
    120      -4.4404      2.00000
    121      -4.1988      2.00000
    122      -4.0723      2.00000
    123      -3.9375      2.00000
    124      -3.8156      2.00000
    125      -3.7079      2.00000
    126      -3.6122      2.00000
    127      -3.5786      2.00000
    128      -3.5675      2.00000
    129      -2.6993      2.00000
    130      -2.6539      2.00000
    131      -2.5160      2.00000
    132      -2.4632      2.00000
    133      -2.3631      2.00000
    134      -2.3334      2.00000
    135      -2.1642      2.00000
    136      -2.1161      2.00000
    137      -1.9368      2.00000
    138      -1.8618      2.00000
    139      -1.8379      2.00000
    140      -1.7925      2.00000
    141      -1.7859      2.00000
    142      -1.7574      2.00000
    143      -1.6626      2.00000
    144      -1.5851      2.00000
    145      -1.5244      2.00000
    146      -1.4490      2.00000
    147      -1.4365      2.00000
    148      -1.4009      2.00000
    149      -1.3518      2.00000
    150      -1.3167      2.00000
    151      -1.3016      2.00000
    152      -1.2548      2.00000
    153      -1.1995      2.00000
    154      -1.1845      2.00000
    155      -1.1746      2.00000
    156      -1.1052      2.00000
    157      -1.0807      2.00000
    158      -1.0543      2.00000
    159      -1.0113      2.00000
    160      -0.9647      2.00000
    161      -0.8814      2.00000
    162      -0.8536      2.00000
    163      -0.8061      2.00000
    164      -0.7791      2.00000
    165      -0.7602      2.00000
    166      -0.7313      2.00000
    167      -0.7218      2.00000
    168      -0.6877      2.00000
    169      -0.6671      2.00000
    170      -0.6082      2.00000
    171      -0.5852      2.00000
    172      -0.5565      2.00000
    173      -0.5196      2.00000
    174      -0.4520      2.00000
    175      -0.3898      2.00000
    176      -0.2699      2.00000
    177      -0.1945      2.00000
    178      -0.0578      2.00000
    179       0.1374      2.00000
    180       0.1635      2.00000
    181       0.3029      2.00000
    182       0.3601      2.00000
    183       0.4521      2.00000
    184       0.5021      2.00000
    185       5.2766      0.00000
    186       5.8389      0.00000
    187       5.9692      0.00000
    188       6.0857      0.00000
    189       6.1270      0.00000
    190       6.2103      0.00000
    191       6.5294      0.00000
    192       6.5771      0.00000
    193       6.5975      0.00000
    194       6.9121      0.00000
    195       6.9395      0.00000
    196       7.0745      0.00000
    197       7.4416      0.00000
    198       7.6617      0.00000
    199       7.9117      0.00000
    200       8.5076      0.00000
    201       8.5897      0.00000
    202       8.7027      0.00000
    203       8.7934      0.00000
    204       8.8122      0.00000
    205       9.0441      0.00000
    206       9.2772      0.00000
    207       9.4109      0.00000
    208       9.4599      0.00000
    209       9.6747      0.00000
    210       9.9010      0.00000
    211      10.1157      0.00000
    212      10.1619      0.00000
    213      10.2372      0.00000
    214      10.3359      0.00000
    215      10.3832      0.00000
    216      10.4934      0.00000
    217      10.6339      0.00000
    218      10.8299      0.00000
    219      10.8593      0.00000
    220      10.9162      0.00000
    221      11.0901      0.00000
    222      11.1071      0.00000
    223      11.1715      0.00000
    224      11.2587      0.00000
    225      11.3312      0.00000
    226      11.3842      0.00000
    227      11.4879      0.00000
    228      11.4981      0.00000
    229      11.5529      0.00000
    230      11.5891      0.00000
    231      11.7984      0.00000
    232      11.8460      0.00000
    233      11.8963      0.00000
    234      11.9003      0.00000
    235      11.9779      0.00000
    236      12.1038      0.00000
    237      12.1323      0.00000
    238      12.1658      0.00000
    239      12.2861      0.00000
    240      12.3347      0.00000
    241      12.3908      0.00000
    242      12.4492      0.00000
    243      12.4795      0.00000
    244      12.5764      0.00000
    245      12.6687      0.00000
    246      12.6987      0.00000
    247      12.8136      0.00000
    248      12.8161      0.00000
    249      12.8634      0.00000
    250      12.9092      0.00000
    251      13.0333      0.00000
    252      13.1031      0.00000
    253      13.1357      0.00000
    254      13.2405      0.00000
    255      13.2791      0.00000
    256      13.3945      0.00000

 k-point    77 :       0.0000    0.2857    0.2500
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2555      2.00000
     42     -21.2048      2.00000
     43     -21.1909      2.00000
     44     -21.1728      2.00000
     45     -20.9540      2.00000
     46     -20.9313      2.00000
     47     -20.9134      2.00000
     48     -20.8967      2.00000
     49     -19.3120      2.00000
     50     -19.2986      2.00000
     51     -19.2909      2.00000
     52     -19.2753      2.00000
     53     -18.7030      2.00000
     54     -18.6770      2.00000
     55     -18.6690      2.00000
     56     -18.6524      2.00000
     57     -18.2592      2.00000
     58     -18.2195      2.00000
     59     -18.1798      2.00000
     60     -18.1591      2.00000
     61     -18.1272      2.00000
     62     -18.1188      2.00000
     63     -18.0656      2.00000
     64     -18.0518      2.00000
     65     -17.8927      2.00000
     66     -17.8851      2.00000
     67     -17.8690      2.00000
     68     -17.8567      2.00000
     69     -17.7833      2.00000
     70     -17.7221      2.00000
     71     -17.7003      2.00000
     72     -17.6544      2.00000
     73     -17.3102      2.00000
     74     -17.3035      2.00000
     75     -17.2893      2.00000
     76     -17.2805      2.00000
     77      -8.1302      2.00000
     78      -7.8972      2.00000
     79      -7.7816      2.00000
     80      -7.6511      2.00000
     81      -7.6151      2.00000
     82      -7.5212      2.00000
     83      -7.4155      2.00000
     84      -7.3581      2.00000
     85      -7.1343      2.00000
     86      -7.0846      2.00000
     87      -7.0779      2.00000
     88      -7.0397      2.00000
     89      -6.6106      2.00000
     90      -6.5659      2.00000
     91      -6.5444      2.00000
     92      -6.5265      2.00000
     93      -6.3697      2.00000
     94      -6.2483      2.00000
     95      -6.1514      2.00000
     96      -6.0992      2.00000
     97      -5.9091      2.00000
     98      -5.8454      2.00000
     99      -5.7703      2.00000
    100      -5.6532      2.00000
    101      -5.6437      2.00000
    102      -5.5551      2.00000
    103      -5.3979      2.00000
    104      -5.3890      2.00000
    105      -5.3723      2.00000
    106      -5.3216      2.00000
    107      -5.2826      2.00000
    108      -5.2496      2.00000
    109      -5.1958      2.00000
    110      -5.1385      2.00000
    111      -5.1020      2.00000
    112      -5.0300      2.00000
    113      -4.7905      2.00000
    114      -4.7149      2.00000
    115      -4.6837      2.00000
    116      -4.6561      2.00000
    117      -4.5776      2.00000
    118      -4.5174      2.00000
    119      -4.5069      2.00000
    120      -4.4457      2.00000
    121      -4.1875      2.00000
    122      -4.1105      2.00000
    123      -3.9077      2.00000
    124      -3.8140      2.00000
    125      -3.6748      2.00000
    126      -3.6047      2.00000
    127      -3.5768      2.00000
    128      -3.5595      2.00000
    129      -2.6694      2.00000
    130      -2.6238      2.00000
    131      -2.4284      2.00000
    132      -2.4068      2.00000
    133      -2.3698      2.00000
    134      -2.3013      2.00000
    135      -2.1772      2.00000
    136      -2.1310      2.00000
    137      -1.9769      2.00000
    138      -1.9024      2.00000
    139      -1.8598      2.00000
    140      -1.8051      2.00000
    141      -1.7928      2.00000
    142      -1.7581      2.00000
    143      -1.6478      2.00000
    144      -1.6132      2.00000
    145      -1.5198      2.00000
    146      -1.4593      2.00000
    147      -1.4093      2.00000
    148      -1.3784      2.00000
    149      -1.3696      2.00000
    150      -1.3204      2.00000
    151      -1.3012      2.00000
    152      -1.2633      2.00000
    153      -1.2096      2.00000
    154      -1.1886      2.00000
    155      -1.1643      2.00000
    156      -1.1482      2.00000
    157      -1.0925      2.00000
    158      -1.0759      2.00000
    159      -1.0131      2.00000
    160      -0.9910      2.00000
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    175      -0.3596      2.00000
    176      -0.2359      2.00000
    177      -0.1955      2.00000
    178      -0.0221      2.00000
    179       0.0762      2.00000
    180       0.1406      2.00000
    181       0.3105      2.00000
    182       0.3755      2.00000
    183       0.4362      2.00000
    184       0.4835      2.00000
    185       5.4615      0.00000
    186       5.8557      0.00000
    187       5.9439      0.00000
    188       6.1114      0.00000
    189       6.1322      0.00000
    190       6.2198      0.00000
    191       6.3786      0.00000
    192       6.5165      0.00000
    193       6.6288      0.00000
    194       6.8368      0.00000
    195       6.9544      0.00000
    196       7.1274      0.00000
    197       7.3102      0.00000
    198       7.6028      0.00000
    199       8.0657      0.00000
    200       8.3157      0.00000
    201       8.5540      0.00000
    202       8.6315      0.00000
    203       8.7379      0.00000
    204       8.8654      0.00000
    205       9.2008      0.00000
    206       9.3625      0.00000
    207       9.4825      0.00000
    208       9.7196      0.00000
    209       9.7893      0.00000
    210       9.9267      0.00000
    211      10.0634      0.00000
    212      10.1036      0.00000
    213      10.2472      0.00000
    214      10.4015      0.00000
    215      10.4273      0.00000
    216      10.4878      0.00000
    217      10.6453      0.00000
    218      10.7175      0.00000
    219      10.8069      0.00000
    220      10.9730      0.00000
    221      11.0445      0.00000
    222      11.1101      0.00000
    223      11.1506      0.00000
    224      11.2382      0.00000
    225      11.2766      0.00000
    226      11.3128      0.00000
    227      11.3527      0.00000
    228      11.3859      0.00000
    229      11.5741      0.00000
    230      11.6711      0.00000
    231      11.7563      0.00000
    232      11.8082      0.00000
    233      11.8704      0.00000
    234      11.9455      0.00000
    235      12.0079      0.00000
    236      12.1303      0.00000
    237      12.1494      0.00000
    238      12.1844      0.00000
    239      12.3068      0.00000
    240      12.3355      0.00000
    241      12.3678      0.00000
    242      12.4792      0.00000
    243      12.5290      0.00000
    244      12.6087      0.00000
    245      12.6362      0.00000
    246      12.6852      0.00000
    247      12.7219      0.00000
    248      12.7965      0.00000
    249      12.8931      0.00000
    250      12.9373      0.00000
    251      13.0000      0.00000
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    253      13.1261      0.00000
    254      13.2363      0.00000
    255      13.2539      0.00000
    256      13.3407      0.00000

 k-point    78 :       0.1667    0.2857    0.2500
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
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    190       6.2263      0.00000
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    192       6.4929      0.00000
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 k-point    79 :       0.3333    0.2857    0.2500
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      2     -72.4432      2.00000
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     16     -39.2060      2.00000
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     18     -39.2006      2.00000
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     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
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     43     -21.1914      2.00000
     44     -21.1729      2.00000
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     48     -20.8965      2.00000
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     67     -17.8613      2.00000
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     70     -17.7219      2.00000
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 k-point    80 :       0.5000    0.2857    0.2500
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      3     -72.4428      2.00000
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     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
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     38     -38.5038      2.00000
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     40     -38.4786      2.00000
     41     -21.2536      2.00000
     42     -21.2044      2.00000
     43     -21.1913      2.00000
     44     -21.1729      2.00000
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     47     -20.9146      2.00000
     48     -20.8966      2.00000
     49     -19.3105      2.00000
     50     -19.2987      2.00000
     51     -19.2873      2.00000
     52     -19.2783      2.00000
     53     -18.6963      2.00000
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     55     -18.6705      2.00000
     56     -18.6484      2.00000
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     59     -18.1939      2.00000
     60     -18.1616      2.00000
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     63     -18.0637      2.00000
     64     -18.0484      2.00000
     65     -17.8967      2.00000
     66     -17.8872      2.00000
     67     -17.8627      2.00000
     68     -17.8522      2.00000
     69     -17.7831      2.00000
     70     -17.7222      2.00000
     71     -17.6992      2.00000
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     77      -8.1502      2.00000
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     84      -7.4196      2.00000
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     88      -7.0370      2.00000
     89      -6.6476      2.00000
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     92      -6.5303      2.00000
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     97      -5.9172      2.00000
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    114      -4.8040      2.00000
    115      -4.7440      2.00000
    116      -4.6887      2.00000
    117      -4.5650      2.00000
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    123      -3.8960      2.00000
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 k-point    81 :      -0.3333    0.2857    0.2500
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      2     -72.4432      2.00000
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      4     -72.4426      2.00000
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     11     -39.2154      2.00000
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     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2549      2.00000
     42     -21.2047      2.00000
     43     -21.1910      2.00000
     44     -21.1728      2.00000
     45     -20.9547      2.00000
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     47     -20.9138      2.00000
     48     -20.8966      2.00000
     49     -19.3113      2.00000
     50     -19.2994      2.00000
     51     -19.2899      2.00000
     52     -19.2767      2.00000
     53     -18.7009      2.00000
     54     -18.6759      2.00000
     55     -18.6678      2.00000
     56     -18.6512      2.00000
     57     -18.2592      2.00000
     58     -18.2206      2.00000
     59     -18.1870      2.00000
     60     -18.1608      2.00000
     61     -18.1273      2.00000
     62     -18.1177      2.00000
     63     -18.0642      2.00000
     64     -18.0506      2.00000
     65     -17.8939      2.00000
     66     -17.8874      2.00000
     67     -17.8672      2.00000
     68     -17.8541      2.00000
     69     -17.7837      2.00000
     70     -17.7224      2.00000
     71     -17.6998      2.00000
     72     -17.6544      2.00000
     73     -17.3086      2.00000
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     75     -17.2903      2.00000
     76     -17.2817      2.00000
     77      -8.1339      2.00000
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     80      -7.6574      2.00000
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     84      -7.4026      2.00000
     85      -7.1414      2.00000
     86      -7.1147      2.00000
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     89      -6.6185      2.00000
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     95      -6.1526      2.00000
     96      -6.0899      2.00000
     97      -5.9024      2.00000
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     99      -5.7650      2.00000
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    210      10.0078      0.00000
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 k-point    82 :      -0.1667    0.2857    0.2500
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
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     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
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     40     -38.4786      2.00000
     41     -21.2559      2.00000
     42     -21.2049      2.00000
     43     -21.1908      2.00000
     44     -21.1728      2.00000
     45     -20.9536      2.00000
     46     -20.9314      2.00000
     47     -20.9132      2.00000
     48     -20.8967      2.00000
     49     -19.3121      2.00000
     50     -19.2992      2.00000
     51     -19.2916      2.00000
     52     -19.2754      2.00000
     53     -18.7039      2.00000
     54     -18.6745      2.00000
     55     -18.6682      2.00000
     56     -18.6531      2.00000
     57     -18.2588      2.00000
     58     -18.2198      2.00000
     59     -18.1800      2.00000
     60     -18.1597      2.00000
     61     -18.1263      2.00000
     62     -18.1173      2.00000
     63     -18.0653      2.00000
     64     -18.0523      2.00000
     65     -17.8920      2.00000
     66     -17.8864      2.00000
     67     -17.8704      2.00000
     68     -17.8563      2.00000
     69     -17.7838      2.00000
     70     -17.7224      2.00000
     71     -17.7003      2.00000
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     84      -7.3679      2.00000
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     87      -7.0602      2.00000
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     89      -6.6036      2.00000
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    189       6.1296      0.00000
    190       6.2018      0.00000
    191       6.3772      0.00000
    192       6.5212      0.00000
    193       6.6310      0.00000
    194       6.8522      0.00000
    195       7.0027      0.00000
    196       7.1141      0.00000
    197       7.3664      0.00000
    198       7.6306      0.00000
    199       7.9855      0.00000
    200       8.3290      0.00000
    201       8.5125      0.00000
    202       8.6002      0.00000
    203       8.7242      0.00000
    204       8.8175      0.00000
    205       9.1339      0.00000
    206       9.4422      0.00000
    207       9.5422      0.00000
    208       9.6791      0.00000
    209       9.7549      0.00000
    210       9.9533      0.00000
    211      10.0900      0.00000
    212      10.1632      0.00000
    213      10.3177      0.00000
    214      10.3836      0.00000
    215      10.4493      0.00000
    216      10.4875      0.00000
    217      10.6177      0.00000
    218      10.7551      0.00000
    219      10.8246      0.00000
    220      10.8840      0.00000
    221      11.0211      0.00000
    222      11.1085      0.00000
    223      11.1364      0.00000
    224      11.2457      0.00000
    225      11.2614      0.00000
    226      11.3593      0.00000
    227      11.3867      0.00000
    228      11.4500      0.00000
    229      11.5087      0.00000
    230      11.6428      0.00000
    231      11.7357      0.00000
    232      11.7900      0.00000
    233      11.8730      0.00000
    234      11.9176      0.00000
    235      12.0230      0.00000
    236      12.0865      0.00000
    237      12.1289      0.00000
    238      12.1563      0.00000
    239      12.2573      0.00000
    240      12.3290      0.00000
    241      12.3914      0.00000
    242      12.4825      0.00000
    243      12.4910      0.00000
    244      12.6269      0.00000
    245      12.6726      0.00000
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    253      13.1603      0.00000
    254      13.1901      0.00000
    255      13.2670      0.00000
    256      13.3731      0.00000

 k-point    83 :       0.0000    0.4286    0.2500
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2405      2.00000
     42     -21.2227      2.00000
     43     -21.1841      2.00000
     44     -21.1773      2.00000
     45     -20.9415      2.00000
     46     -20.9281      2.00000
     47     -20.9189      2.00000
     48     -20.9077      2.00000
     49     -19.3081      2.00000
     50     -19.3033      2.00000
     51     -19.2854      2.00000
     52     -19.2798      2.00000
     53     -18.6937      2.00000
     54     -18.6843      2.00000
     55     -18.6638      2.00000
     56     -18.6577      2.00000
     57     -18.2331      2.00000
     58     -18.2127      2.00000
     59     -18.1828      2.00000
     60     -18.1764      2.00000
     61     -18.1335      2.00000
     62     -18.1300      2.00000
     63     -18.0594      2.00000
     64     -18.0545      2.00000
     65     -17.8895      2.00000
     66     -17.8866      2.00000
     67     -17.8667      2.00000
     68     -17.8621      2.00000
     69     -17.7595      2.00000
     70     -17.7315      2.00000
     71     -17.6967      2.00000
     72     -17.6744      2.00000
     73     -17.3027      2.00000
     74     -17.2956      2.00000
     75     -17.2951      2.00000
     76     -17.2870      2.00000
     77      -8.0597      2.00000
     78      -7.9765      2.00000
     79      -7.7149      2.00000
     80      -7.6511      2.00000
     81      -7.5975      2.00000
     82      -7.5427      2.00000
     83      -7.4306      2.00000
     84      -7.4015      2.00000
     85      -7.1166      2.00000
     86      -7.0988      2.00000
     87      -7.0600      2.00000
     88      -7.0467      2.00000
     89      -6.5958      2.00000
     90      -6.5786      2.00000
     91      -6.5451      2.00000
     92      -6.5367      2.00000
     93      -6.3376      2.00000
     94      -6.2947      2.00000
     95      -6.1508      2.00000
     96      -6.1329      2.00000
     97      -5.8844      2.00000
     98      -5.8576      2.00000
     99      -5.7430      2.00000
    100      -5.6970      2.00000
    101      -5.6298      2.00000
    102      -5.5931      2.00000
    103      -5.3715      2.00000
    104      -5.3538      2.00000
    105      -5.3371      2.00000
    106      -5.3189      2.00000
    107      -5.2783      2.00000
    108      -5.2660      2.00000
    109      -5.1898      2.00000
    110      -5.1685      2.00000
    111      -5.0932      2.00000
    112      -5.0639      2.00000
    113      -4.7658      2.00000
    114      -4.7380      2.00000
    115      -4.6752      2.00000
    116      -4.6647      2.00000
    117      -4.5624      2.00000
    118      -4.5423      2.00000
    119      -4.4945      2.00000
    120      -4.4706      2.00000
    121      -4.1687      2.00000
    122      -4.1427      2.00000
    123      -3.8666      2.00000
    124      -3.8349      2.00000
    125      -3.6441      2.00000
    126      -3.6203      2.00000
    127      -3.5574      2.00000
    128      -3.5518      2.00000
    129      -2.6259      2.00000
    130      -2.6054      2.00000
    131      -2.4173      2.00000
    132      -2.4060      2.00000
    133      -2.2661      2.00000
    134      -2.2491      2.00000
    135      -2.1803      2.00000
    136      -2.0989      2.00000
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    138      -2.0154      2.00000
    139      -1.8593      2.00000
    140      -1.8325      2.00000
    141      -1.7670      2.00000
    142      -1.7594      2.00000
    143      -1.6541      2.00000
    144      -1.6373      2.00000
    145      -1.4993      2.00000
    146      -1.4639      2.00000
    147      -1.4258      2.00000
    148      -1.3850      2.00000
    149      -1.3644      2.00000
    150      -1.3439      2.00000
    151      -1.2787      2.00000
    152      -1.2601      2.00000
    153      -1.2155      2.00000
    154      -1.2066      2.00000
    155      -1.1831      2.00000
    156      -1.1475      2.00000
    157      -1.1133      2.00000
    158      -1.0837      2.00000
    159      -1.0162      2.00000
    160      -1.0083      2.00000
    161      -0.8870      2.00000
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    175      -0.3194      2.00000
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    177      -0.1141      2.00000
    178      -0.0179      2.00000
    179       0.0348      2.00000
    180       0.0906      2.00000
    181       0.3430      2.00000
    182       0.3747      2.00000
    183       0.4319      2.00000
    184       0.4567      2.00000
    185       5.6850      0.00000
    186       5.8484      0.00000
    187       5.9500      0.00000
    188       6.0549      0.00000
    189       6.1249      0.00000
    190       6.1313      0.00000
    191       6.3604      0.00000
    192       6.4377      0.00000
    193       6.6919      0.00000
    194       6.7665      0.00000
    195       7.0433      0.00000
    196       7.1194      0.00000
    197       7.3456      0.00000
    198       7.4737      0.00000
    199       8.0883      0.00000
    200       8.1845      0.00000
    201       8.5371      0.00000
    202       8.6186      0.00000
    203       8.7352      0.00000
    204       8.7906      0.00000
    205       9.4266      0.00000
    206       9.4753      0.00000
    207       9.4978      0.00000
    208       9.7407      0.00000
    209       9.8950      0.00000
    210       9.9921      0.00000
    211       9.9981      0.00000
    212      10.1410      0.00000
    213      10.2589      0.00000
    214      10.3891      0.00000
    215      10.5085      0.00000
    216      10.6082      0.00000
    217      10.6386      0.00000
    218      10.7237      0.00000
    219      10.7624      0.00000
    220      10.8826      0.00000
    221      11.0054      0.00000
    222      11.0629      0.00000
    223      11.1304      0.00000
    224      11.1605      0.00000
    225      11.2319      0.00000
    226      11.2623      0.00000
    227      11.3671      0.00000
    228      11.4305      0.00000
    229      11.4721      0.00000
    230      11.5608      0.00000
    231      11.7645      0.00000
    232      11.8016      0.00000
    233      11.8934      0.00000
    234      11.9214      0.00000
    235      12.0332      0.00000
    236      12.0725      0.00000
    237      12.1440      0.00000
    238      12.1856      0.00000
    239      12.2851      0.00000
    240      12.3231      0.00000
    241      12.4193      0.00000
    242      12.5001      0.00000
    243      12.5522      0.00000
    244      12.5899      0.00000
    245      12.6454      0.00000
    246      12.6843      0.00000
    247      12.7633      0.00000
    248      12.8244      0.00000
    249      12.8580      0.00000
    250      12.9048      0.00000
    251      13.0748      0.00000
    252      13.0846      0.00000
    253      13.1474      0.00000
    254      13.1951      0.00000
    255      13.3036      0.00000
    256      13.3680      0.00000

 k-point    84 :       0.1667    0.4286    0.2500
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2395      2.00000
     42     -21.2220      2.00000
     43     -21.1843      2.00000
     44     -21.1775      2.00000
     45     -20.9428      2.00000
     46     -20.9291      2.00000
     47     -20.9188      2.00000
     48     -20.9076      2.00000
     49     -19.3074      2.00000
     50     -19.3026      2.00000
     51     -19.2843      2.00000
     52     -19.2798      2.00000
     53     -18.6913      2.00000
     54     -18.6843      2.00000
     55     -18.6648      2.00000
     56     -18.6569      2.00000
     57     -18.2350      2.00000
     58     -18.2151      2.00000
     59     -18.1851      2.00000
     60     -18.1768      2.00000
     61     -18.1362      2.00000
     62     -18.1324      2.00000
     63     -18.0583      2.00000
     64     -18.0529      2.00000
     65     -17.8919      2.00000
     66     -17.8880      2.00000
     67     -17.8621      2.00000
     68     -17.8586      2.00000
     69     -17.7587      2.00000
     70     -17.7307      2.00000
     71     -17.6968      2.00000
     72     -17.6746      2.00000
     73     -17.3010      2.00000
     74     -17.2963      2.00000
     75     -17.2941      2.00000
     76     -17.2889      2.00000
     77      -8.0756      2.00000
     78      -7.9923      2.00000
     79      -7.7021      2.00000
     80      -7.6363      2.00000
     81      -7.5819      2.00000
     82      -7.5145      2.00000
     83      -7.4374      2.00000
     84      -7.4099      2.00000
     85      -7.1033      2.00000
     86      -7.0872      2.00000
     87      -7.0695      2.00000
     88      -7.0526      2.00000
     89      -6.6202      2.00000
     90      -6.6005      2.00000
     91      -6.5404      2.00000
     92      -6.5302      2.00000
     93      -6.3422      2.00000
     94      -6.3008      2.00000
     95      -6.1580      2.00000
     96      -6.1357      2.00000
     97      -5.8938      2.00000
     98      -5.8587      2.00000
     99      -5.7655      2.00000
    100      -5.7122      2.00000
    101      -5.6032      2.00000
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    103      -5.3656      2.00000
    104      -5.3514      2.00000
    105      -5.3136      2.00000
    106      -5.2996      2.00000
    107      -5.2830      2.00000
    108      -5.2515      2.00000
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    110      -5.1529      2.00000
    111      -5.1072      2.00000
    112      -5.0844      2.00000
    113      -4.7873      2.00000
    114      -4.7749      2.00000
    115      -4.6635      2.00000
    116      -4.6552      2.00000
    117      -4.5726      2.00000
    118      -4.5648      2.00000
    119      -4.4854      2.00000
    120      -4.4538      2.00000
    121      -4.1491      2.00000
    122      -4.1292      2.00000
    123      -3.8764      2.00000
    124      -3.8411      2.00000
    125      -3.6385      2.00000
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    128      -3.5419      2.00000
    129      -2.6352      2.00000
    130      -2.6169      2.00000
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    132      -2.3845      2.00000
    133      -2.2656      2.00000
    134      -2.2412      2.00000
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    140      -1.8399      2.00000
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    142      -1.7888      2.00000
    143      -1.6533      2.00000
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    145      -1.5112      2.00000
    146      -1.4725      2.00000
    147      -1.4252      2.00000
    148      -1.3883      2.00000
    149      -1.3661      2.00000
    150      -1.3419      2.00000
    151      -1.2959      2.00000
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    157      -1.1109      2.00000
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    179       0.0360      2.00000
    180       0.0947      2.00000
    181       0.3418      2.00000
    182       0.3791      2.00000
    183       0.4372      2.00000
    184       0.4620      2.00000
    185       5.7556      0.00000
    186       5.8497      0.00000
    187       6.0024      0.00000
    188       6.1079      0.00000
    189       6.1247      0.00000
    190       6.1530      0.00000
    191       6.3309      0.00000
    192       6.4071      0.00000
    193       6.6756      0.00000
    194       6.7437      0.00000
    195       6.9615      0.00000
    196       7.0012      0.00000
    197       7.2269      0.00000
    198       7.2598      0.00000
    199       8.2459      0.00000
    200       8.3809      0.00000
    201       8.6557      0.00000
    202       8.6935      0.00000
    203       8.9102      0.00000
    204       9.0113      0.00000
    205       9.3053      0.00000
    206       9.3641      0.00000
    207       9.5870      0.00000
    208       9.6185      0.00000
    209       9.7584      0.00000
    210       9.8368      0.00000
    211      10.0717      0.00000
    212      10.1646      0.00000
    213      10.2362      0.00000
    214      10.3940      0.00000
    215      10.5105      0.00000
    216      10.5902      0.00000
    217      10.6715      0.00000
    218      10.7105      0.00000
    219      10.7641      0.00000
    220      10.8421      0.00000
    221      10.9298      0.00000
    222      10.9743      0.00000
    223      11.1001      0.00000
    224      11.1749      0.00000
    225      11.2529      0.00000
    226      11.2902      0.00000
    227      11.3698      0.00000
    228      11.4564      0.00000
    229      11.5016      0.00000
    230      11.5466      0.00000
    231      11.6486      0.00000
    232      11.7013      0.00000
    233      11.8750      0.00000
    234      11.8903      0.00000
    235      12.0740      0.00000
    236      12.1298      0.00000
    237      12.2261      0.00000
    238      12.2831      0.00000
    239      12.3122      0.00000
    240      12.3748      0.00000
    241      12.5146      0.00000
    242      12.5470      0.00000
    243      12.5562      0.00000
    244      12.5988      0.00000
    245      12.6152      0.00000
    246      12.6460      0.00000
    247      12.7962      0.00000
    248      12.8590      0.00000
    249      12.9094      0.00000
    250      12.9331      0.00000
    251      13.0167      0.00000
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    253      13.1408      0.00000
    254      13.2302      0.00000
    255      13.2794      0.00000
    256      13.3483      0.00000

 k-point    85 :       0.3333    0.4286    0.2500
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
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    189       6.1544      0.00000
    190       6.1877      0.00000
    191       6.2868      0.00000
    192       6.3900      0.00000
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    256      13.3234      0.00000

 k-point    86 :       0.5000    0.4286    0.2500
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
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      6     -72.2767      2.00000
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      8     -72.2763      2.00000
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     10     -71.7455      2.00000
     11     -39.2154      2.00000
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     18     -39.2006      2.00000
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     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2390      2.00000
     42     -21.2217      2.00000
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     44     -21.1775      2.00000
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     48     -20.9075      2.00000
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     50     -19.3030      2.00000
     51     -19.2838      2.00000
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     53     -18.6896      2.00000
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     55     -18.6636      2.00000
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     59     -18.1925      2.00000
     60     -18.1807      2.00000
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     63     -18.0573      2.00000
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     65     -17.8937      2.00000
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     67     -17.8598      2.00000
     68     -17.8558      2.00000
     69     -17.7589      2.00000
     70     -17.7306      2.00000
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     73     -17.2999      2.00000
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     87      -7.0457      2.00000
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 k-point    87 :      -0.3333    0.4286    0.2500
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2400      2.00000
     42     -21.2224      2.00000
     43     -21.1842      2.00000
     44     -21.1774      2.00000
     45     -20.9421      2.00000
     46     -20.9287      2.00000
     47     -20.9188      2.00000
     48     -20.9076      2.00000
     49     -19.3079      2.00000
     50     -19.3037      2.00000
     51     -19.2851      2.00000
     52     -19.2805      2.00000
     53     -18.6921      2.00000
     54     -18.6830      2.00000
     55     -18.6625      2.00000
     56     -18.6566      2.00000
     57     -18.2324      2.00000
     58     -18.2108      2.00000
     59     -18.1904      2.00000
     60     -18.1805      2.00000
     61     -18.1334      2.00000
     62     -18.1293      2.00000
     63     -18.0583      2.00000
     64     -18.0534      2.00000
     65     -17.8915      2.00000
     66     -17.8892      2.00000
     67     -17.8641      2.00000
     68     -17.8591      2.00000
     69     -17.7596      2.00000
     70     -17.7314      2.00000
     71     -17.6966      2.00000
     72     -17.6743      2.00000
     73     -17.3019      2.00000
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     75     -17.2946      2.00000
     76     -17.2875      2.00000
     77      -8.0616      2.00000
     78      -7.9752      2.00000
     79      -7.6910      2.00000
     80      -7.6234      2.00000
     81      -7.5840      2.00000
     82      -7.5502      2.00000
     83      -7.4496      2.00000
     84      -7.4356      2.00000
     85      -7.1356      2.00000
     86      -7.1268      2.00000
     87      -7.0426      2.00000
     88      -7.0399      2.00000
     89      -6.6055      2.00000
     90      -6.5902      2.00000
     91      -6.5401      2.00000
     92      -6.5359      2.00000
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    191       6.3362      0.00000
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    256      13.3239      0.00000

 k-point    88 :      -0.1667    0.4286    0.2500
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      2     -72.4432      2.00000
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     11     -39.2154      2.00000
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     13     -39.2149      2.00000
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     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
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     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2408      2.00000
     42     -21.2229      2.00000
     43     -21.1841      2.00000
     44     -21.1773      2.00000
     45     -20.9411      2.00000
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     48     -20.9077      2.00000
     49     -19.3084      2.00000
     50     -19.3038      2.00000
     51     -19.2858      2.00000
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     53     -18.6941      2.00000
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     55     -18.6628      2.00000
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     63     -18.0594      2.00000
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     65     -17.8894      2.00000
     66     -17.8872      2.00000
     67     -17.8677      2.00000
     68     -17.8623      2.00000
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     70     -17.7318      2.00000
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     89      -6.5897      2.00000
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 k-point    89 :      -0.0000   -0.4286    0.2500
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
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      5     -72.2770      2.00000
      6     -72.2767      2.00000
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     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
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     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2405      2.00000
     42     -21.2227      2.00000
     43     -21.1841      2.00000
     44     -21.1773      2.00000
     45     -20.9415      2.00000
     46     -20.9278      2.00000
     47     -20.9192      2.00000
     48     -20.9076      2.00000
     49     -19.3081      2.00000
     50     -19.3033      2.00000
     51     -19.2853      2.00000
     52     -19.2798      2.00000
     53     -18.6937      2.00000
     54     -18.6843      2.00000
     55     -18.6638      2.00000
     56     -18.6577      2.00000
     57     -18.2331      2.00000
     58     -18.2127      2.00000
     59     -18.1828      2.00000
     60     -18.1765      2.00000
     61     -18.1334      2.00000
     62     -18.1300      2.00000
     63     -18.0594      2.00000
     64     -18.0545      2.00000
     65     -17.8896      2.00000
     66     -17.8863      2.00000
     67     -17.8669      2.00000
     68     -17.8619      2.00000
     69     -17.7594      2.00000
     70     -17.7316      2.00000
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     84      -7.4017      2.00000
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     89      -6.5962      2.00000
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 k-point    90 :       0.1667   -0.4286    0.2500
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     18     -39.2006      2.00000
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     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2395      2.00000
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     44     -21.1774      2.00000
     45     -20.9429      2.00000
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     48     -20.9075      2.00000
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     67     -17.8624      2.00000
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 k-point    91 :       0.3333   -0.4286    0.2500
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     11     -39.2154      2.00000
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     17     -39.2007      2.00000
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     25     -39.0422      2.00000
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     27     -39.0333      2.00000
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     29     -39.0331      2.00000
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     31     -39.0274      2.00000
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     33     -39.0261      2.00000
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     48     -20.9074      2.00000
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     50     -19.3025      2.00000
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     60     -18.1790      2.00000
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     65     -17.8941      2.00000
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    253      13.1931      0.00000
    254      13.2331      0.00000
    255      13.2802      0.00000
    256      13.3227      0.00000

 k-point    92 :       0.5000   -0.4286    0.2500
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2390      2.00000
     42     -21.2218      2.00000
     43     -21.1844      2.00000
     44     -21.1775      2.00000
     45     -20.9436      2.00000
     46     -20.9294      2.00000
     47     -20.9189      2.00000
     48     -20.9074      2.00000
     49     -19.3071      2.00000
     50     -19.3029      2.00000
     51     -19.2839      2.00000
     52     -19.2806      2.00000
     53     -18.6896      2.00000
     54     -18.6831      2.00000
     55     -18.6637      2.00000
     56     -18.6557      2.00000
     57     -18.2344      2.00000
     58     -18.2136      2.00000
     59     -18.1924      2.00000
     60     -18.1808      2.00000
     61     -18.1360      2.00000
     62     -18.1315      2.00000
     63     -18.0572      2.00000
     64     -18.0519      2.00000
     65     -17.8939      2.00000
     66     -17.8902      2.00000
     67     -17.8601      2.00000
     68     -17.8557      2.00000
     69     -17.7588      2.00000
     70     -17.7308      2.00000
     71     -17.6965      2.00000
     72     -17.6747      2.00000
     73     -17.2999      2.00000
     74     -17.2967      2.00000
     75     -17.2933      2.00000
     76     -17.2896      2.00000
     77      -8.0771      2.00000
     78      -7.9910      2.00000
     79      -7.6751      2.00000
     80      -7.6022      2.00000
     81      -7.5791      2.00000
     82      -7.5199      2.00000
     83      -7.4603      2.00000
     84      -7.4395      2.00000
     85      -7.1312      2.00000
     86      -7.1202      2.00000
     87      -7.0453      2.00000
     88      -7.0384      2.00000
     89      -6.6337      2.00000
     90      -6.6153      2.00000
     91      -6.5302      2.00000
     92      -6.5296      2.00000
     93      -6.3360      2.00000
     94      -6.2961      2.00000
     95      -6.1537      2.00000
     96      -6.1264      2.00000
     97      -5.8842      2.00000
     98      -5.8443      2.00000
     99      -5.7552      2.00000
    100      -5.7141      2.00000
    101      -5.6199      2.00000
    102      -5.6119      2.00000
    103      -5.3569      2.00000
    104      -5.3351      2.00000
    105      -5.3203      2.00000
    106      -5.3059      2.00000
    107      -5.2272      2.00000
    108      -5.2169      2.00000
    109      -5.1939      2.00000
    110      -5.1719      2.00000
    111      -5.0604      2.00000
    112      -5.0522      2.00000
    113      -4.8403      2.00000
    114      -4.8147      2.00000
    115      -4.7277      2.00000
    116      -4.7082      2.00000
    117      -4.5635      2.00000
    118      -4.5601      2.00000
    119      -4.4708      2.00000
    120      -4.4424      2.00000
    121      -4.1267      2.00000
    122      -4.1124      2.00000
    123      -3.8769      2.00000
    124      -3.8583      2.00000
    125      -3.6386      2.00000
    126      -3.6258      2.00000
    127      -3.5429      2.00000
    128      -3.5262      2.00000
    129      -2.6426      2.00000
    130      -2.6178      2.00000
    131      -2.3863      2.00000
    132      -2.3507      2.00000
    133      -2.2953      2.00000
    134      -2.2488      2.00000
    135      -2.1739      2.00000
    136      -2.1003      2.00000
    137      -1.9730      2.00000
    138      -1.9293      2.00000
    139      -1.8696      2.00000
    140      -1.8261      2.00000
    141      -1.7947      2.00000
    142      -1.7681      2.00000
    143      -1.7028      2.00000
    144      -1.6742      2.00000
    145      -1.5385      2.00000
    146      -1.5190      2.00000
    147      -1.4143      2.00000
    148      -1.3954      2.00000
    149      -1.3647      2.00000
    150      -1.3329      2.00000
    151      -1.2919      2.00000
    152      -1.2667      2.00000
    153      -1.2403      2.00000
    154      -1.2292      2.00000
    155      -1.1526      2.00000
    156      -1.1373      2.00000
    157      -1.0835      2.00000
    158      -1.0604      2.00000
    159      -1.0452      2.00000
    160      -1.0169      2.00000
    161      -0.8972      2.00000
    162      -0.8607      2.00000
    163      -0.8515      2.00000
    164      -0.8215      2.00000
    165      -0.7644      2.00000
    166      -0.7441      2.00000
    167      -0.7037      2.00000
    168      -0.6884      2.00000
    169      -0.6736      2.00000
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    171      -0.5692      2.00000
    172      -0.5541      2.00000
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    174      -0.4205      2.00000
    175      -0.3022      2.00000
    176      -0.2584      2.00000
    177      -0.1154      2.00000
    178      -0.0233      2.00000
    179       0.0332      2.00000
    180       0.0927      2.00000
    181       0.3489      2.00000
    182       0.3864      2.00000
    183       0.4423      2.00000
    184       0.4664      2.00000
    185       5.7893      0.00000
    186       5.8546      0.00000
    187       6.0443      0.00000
    188       6.1091      0.00000
    189       6.1177      0.00000
    190       6.1733      0.00000
    191       6.3107      0.00000
    192       6.3914      0.00000
    193       6.6758      0.00000
    194       6.7173      0.00000
    195       6.9034      0.00000
    196       6.9945      0.00000
    197       7.1329      0.00000
    198       7.2277      0.00000
    199       8.3087      0.00000
    200       8.4381      0.00000
    201       8.6966      0.00000
    202       8.7448      0.00000
    203       8.9935      0.00000
    204       9.0749      0.00000
    205       9.2058      0.00000
    206       9.2684      0.00000
    207       9.5902      0.00000
    208       9.6597      0.00000
    209       9.8772      0.00000
    210       9.9438      0.00000
    211      10.0196      0.00000
    212      10.1574      0.00000
    213      10.2941      0.00000
    214      10.3538      0.00000
    215      10.3941      0.00000
    216      10.5425      0.00000
    217      10.6439      0.00000
    218      10.7186      0.00000
    219      10.7986      0.00000
    220      10.8211      0.00000
    221      10.8725      0.00000
    222      10.9191      0.00000
    223      11.1090      0.00000
    224      11.1699      0.00000
    225      11.2116      0.00000
    226      11.2699      0.00000
    227      11.3477      0.00000
    228      11.4337      0.00000
    229      11.4440      0.00000
    230      11.5133      0.00000
    231      11.6529      0.00000
    232      11.6950      0.00000
    233      11.9176      0.00000
    234      11.9365      0.00000
    235      12.0499      0.00000
    236      12.1302      0.00000
    237      12.2349      0.00000
    238      12.2493      0.00000
    239      12.4167      0.00000
    240      12.4484      0.00000
    241      12.4721      0.00000
    242      12.5019      0.00000
    243      12.5446      0.00000
    244      12.5547      0.00000
    245      12.6564      0.00000
    246      12.6649      0.00000
    247      12.8736      0.00000
    248      12.9052      0.00000
    249      12.9605      0.00000
    250      13.0058      0.00000
    251      13.0557      0.00000
    252      13.1026      0.00000
    253      13.2085      0.00000
    254      13.2458      0.00000
    255      13.2608      0.00000
    256      13.2989      0.00000

 k-point    93 :      -0.3333   -0.4286    0.2500
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2400      2.00000
     42     -21.2224      2.00000
     43     -21.1842      2.00000
     44     -21.1774      2.00000
     45     -20.9422      2.00000
     46     -20.9284      2.00000
     47     -20.9190      2.00000
     48     -20.9075      2.00000
     49     -19.3079      2.00000
     50     -19.3036      2.00000
     51     -19.2852      2.00000
     52     -19.2804      2.00000
     53     -18.6921      2.00000
     54     -18.6830      2.00000
     55     -18.6626      2.00000
     56     -18.6565      2.00000
     57     -18.2324      2.00000
     58     -18.2109      2.00000
     59     -18.1904      2.00000
     60     -18.1806      2.00000
     61     -18.1333      2.00000
     62     -18.1293      2.00000
     63     -18.0583      2.00000
     64     -18.0535      2.00000
     65     -17.8917      2.00000
     66     -17.8889      2.00000
     67     -17.8644      2.00000
     68     -17.8590      2.00000
     69     -17.7595      2.00000
     70     -17.7315      2.00000
     71     -17.6964      2.00000
     72     -17.6745      2.00000
     73     -17.3019      2.00000
     74     -17.2957      2.00000
     75     -17.2946      2.00000
     76     -17.2874      2.00000
     77      -8.0614      2.00000
     78      -7.9753      2.00000
     79      -7.6909      2.00000
     80      -7.6239      2.00000
     81      -7.5832      2.00000
     82      -7.5506      2.00000
     83      -7.4496      2.00000
     84      -7.4355      2.00000
     85      -7.1356      2.00000
     86      -7.1268      2.00000
     87      -7.0426      2.00000
     88      -7.0399      2.00000
     89      -6.6056      2.00000
     90      -6.5900      2.00000
     91      -6.5400      2.00000
     92      -6.5360      2.00000
     93      -6.3309      2.00000
     94      -6.2897      2.00000
     95      -6.1473      2.00000
     96      -6.1244      2.00000
     97      -5.8750      2.00000
     98      -5.8435      2.00000
     99      -5.7235      2.00000
    100      -5.6981      2.00000
    101      -5.6443      2.00000
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    103      -5.3568      2.00000
    104      -5.3455      2.00000
    105      -5.3316      2.00000
    106      -5.3183      2.00000
    107      -5.2494      2.00000
    108      -5.2279      2.00000
    109      -5.2053      2.00000
    110      -5.1682      2.00000
    111      -5.0574      2.00000
    112      -5.0325      2.00000
    113      -4.8216      2.00000
    114      -4.7929      2.00000
    115      -4.7276      2.00000
    116      -4.7034      2.00000
    117      -4.5558      2.00000
    118      -4.5449      2.00000
    119      -4.4798      2.00000
    120      -4.4564      2.00000
    121      -4.1489      2.00000
    122      -4.1258      2.00000
    123      -3.8665      2.00000
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    125      -3.6446      2.00000
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    128      -3.5353      2.00000
    129      -2.6230      2.00000
    130      -2.6208      2.00000
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    133      -2.2920      2.00000
    134      -2.2633      2.00000
    135      -2.1790      2.00000
    136      -2.1024      2.00000
    137      -2.0036      2.00000
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    140      -1.8072      2.00000
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    144      -1.6782      2.00000
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    146      -1.5038      2.00000
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    148      -1.3964      2.00000
    149      -1.3522      2.00000
    150      -1.3312      2.00000
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    160      -1.0105      2.00000
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    180       0.0888      2.00000
    181       0.3500      2.00000
    182       0.3823      2.00000
    183       0.4369      2.00000
    184       0.4611      2.00000
    185       5.7260      0.00000
    186       5.8554      0.00000
    187       5.9551      0.00000
    188       6.0756      0.00000
    189       6.1242      0.00000
    190       6.1304      0.00000
    191       6.3363      0.00000
    192       6.4153      0.00000
    193       6.6890      0.00000
    194       6.7628      0.00000
    195       7.0315      0.00000
    196       7.1319      0.00000
    197       7.2365      0.00000
    198       7.3712      0.00000
    199       8.1059      0.00000
    200       8.2235      0.00000
    201       8.6305      0.00000
    202       8.6660      0.00000
    203       8.8099      0.00000
    204       8.8636      0.00000
    205       9.3488      0.00000
    206       9.4365      0.00000
    207       9.6535      0.00000
    208       9.6889      0.00000
    209       9.9045      0.00000
    210       9.9816      0.00000
    211      10.0747      0.00000
    212      10.1234      0.00000
    213      10.2768      0.00000
    214      10.3553      0.00000
    215      10.4842      0.00000
    216      10.5235      0.00000
    217      10.6011      0.00000
    218      10.6941      0.00000
    219      10.7881      0.00000
    220      10.8650      0.00000
    221      10.8972      0.00000
    222      10.9756      0.00000
    223      11.0849      0.00000
    224      11.1956      0.00000
    225      11.2565      0.00000
    226      11.3292      0.00000
    227      11.4047      0.00000
    228      11.4424      0.00000
    229      11.5295      0.00000
    230      11.5462      0.00000
    231      11.6320      0.00000
    232      11.6773      0.00000
    233      11.9155      0.00000
    234      11.9596      0.00000
    235      12.0038      0.00000
    236      12.0620      0.00000
    237      12.1598      0.00000
    238      12.1752      0.00000
    239      12.3625      0.00000
    240      12.4030      0.00000
    241      12.4190      0.00000
    242      12.4740      0.00000
    243      12.5588      0.00000
    244      12.5711      0.00000
    245      12.7112      0.00000
    246      12.7153      0.00000
    247      12.8420      0.00000
    248      12.8636      0.00000
    249      12.9606      0.00000
    250      12.9652      0.00000
    251      13.0264      0.00000
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    253      13.1228      0.00000
    254      13.2069      0.00000
    255      13.2541      0.00000
    256      13.3243      0.00000

 k-point    94 :      -0.1667   -0.4286    0.2500
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2408      2.00000
     42     -21.2229      2.00000
     43     -21.1841      2.00000
     44     -21.1773      2.00000
     45     -20.9412      2.00000
     46     -20.9276      2.00000
     47     -20.9192      2.00000
     48     -20.9076      2.00000
     49     -19.3084      2.00000
     50     -19.3038      2.00000
     51     -19.2858      2.00000
     52     -19.2801      2.00000
     53     -18.6940      2.00000
     54     -18.6836      2.00000
     55     -18.6629      2.00000
     56     -18.6574      2.00000
     57     -18.2318      2.00000
     58     -18.2106      2.00000
     59     -18.1855      2.00000
     60     -18.1784      2.00000
     61     -18.1319      2.00000
     62     -18.1283      2.00000
     63     -18.0594      2.00000
     64     -18.0548      2.00000
     65     -17.8896      2.00000
     66     -17.8870      2.00000
     67     -17.8679      2.00000
     68     -17.8621      2.00000
     69     -17.7598      2.00000
     70     -17.7320      2.00000
     71     -17.6964      2.00000
     72     -17.6743      2.00000
     73     -17.3031      2.00000
     74     -17.2955      2.00000
     75     -17.2951      2.00000
     76     -17.2864      2.00000
     77      -8.0519      2.00000
     78      -7.9672      2.00000
     79      -7.7113      2.00000
     80      -7.6467      2.00000
     81      -7.5999      2.00000
     82      -7.5601      2.00000
     83      -7.4356      2.00000
     84      -7.4111      2.00000
     85      -7.1316      2.00000
     86      -7.1165      2.00000
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     89      -6.5900      2.00000
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     95      -6.1455      2.00000
     96      -6.1276      2.00000
     97      -5.8744      2.00000
     98      -5.8491      2.00000
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    104      -5.3504      2.00000
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    106      -5.3321      2.00000
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    108      -5.2578      2.00000
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    110      -5.1662      2.00000
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    112      -5.0431      2.00000
    113      -4.7808      2.00000
    114      -4.7504      2.00000
    115      -4.7041      2.00000
    116      -4.6830      2.00000
    117      -4.5580      2.00000
    118      -4.5369      2.00000
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    120      -4.4722      2.00000
    121      -4.1686      2.00000
    122      -4.1410      2.00000
    123      -3.8618      2.00000
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    128      -3.5472      2.00000
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    130      -2.6040      2.00000
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    134      -2.2616      2.00000
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    184       0.4562      2.00000
    185       5.6667      0.00000
    186       5.8497      0.00000
    187       5.9450      0.00000
    188       6.0214      0.00000
    189       6.1307      0.00000
    190       6.1338      0.00000
    191       6.3617      0.00000
    192       6.4414      0.00000
    193       6.6950      0.00000
    194       6.7736      0.00000
    195       7.0818      0.00000
    196       7.1311      0.00000
    197       7.4217      0.00000
    198       7.5388      0.00000
    199       8.0177      0.00000
    200       8.1355      0.00000
    201       8.4638      0.00000
    202       8.5316      0.00000
    203       8.7360      0.00000
    204       8.7827      0.00000
    205       9.4048      0.00000
    206       9.5388      0.00000
    207       9.5605      0.00000
    208       9.6689      0.00000
    209       9.9276      0.00000
    210       9.9738      0.00000
    211      10.0878      0.00000
    212      10.2298      0.00000
    213      10.2774      0.00000
    214      10.3133      0.00000
    215      10.5194      0.00000
    216      10.6454      0.00000
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    218      10.7131      0.00000
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    225      11.2259      0.00000
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    227      11.3471      0.00000
    228      11.3712      0.00000
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    230      11.5848      0.00000
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    239      12.2339      0.00000
    240      12.3112      0.00000
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    255      13.2600      0.00000
    256      13.3436      0.00000

 k-point    95 :      -0.0000   -0.2857    0.2500
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2555      2.00000
     42     -21.2049      2.00000
     43     -21.1909      2.00000
     44     -21.1727      2.00000
     45     -20.9540      2.00000
     46     -20.9312      2.00000
     47     -20.9135      2.00000
     48     -20.8966      2.00000
     49     -19.3119      2.00000
     50     -19.2987      2.00000
     51     -19.2908      2.00000
     52     -19.2753      2.00000
     53     -18.7030      2.00000
     54     -18.6771      2.00000
     55     -18.6689      2.00000
     56     -18.6524      2.00000
     57     -18.2592      2.00000
     58     -18.2196      2.00000
     59     -18.1798      2.00000
     60     -18.1592      2.00000
     61     -18.1272      2.00000
     62     -18.1188      2.00000
     63     -18.0656      2.00000
     64     -18.0519      2.00000
     65     -17.8928      2.00000
     66     -17.8848      2.00000
     67     -17.8693      2.00000
     68     -17.8566      2.00000
     69     -17.7833      2.00000
     70     -17.7223      2.00000
     71     -17.7000      2.00000
     72     -17.6545      2.00000
     73     -17.3103      2.00000
     74     -17.3035      2.00000
     75     -17.2893      2.00000
     76     -17.2804      2.00000
     77      -8.1301      2.00000
     78      -7.8973      2.00000
     79      -7.7816      2.00000
     80      -7.6511      2.00000
     81      -7.6153      2.00000
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     84      -7.3581      2.00000
     85      -7.1343      2.00000
     86      -7.0848      2.00000
     87      -7.0781      2.00000
     88      -7.0395      2.00000
     89      -6.6108      2.00000
     90      -6.5653      2.00000
     91      -6.5446      2.00000
     92      -6.5266      2.00000
     93      -6.3698      2.00000
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     95      -6.1514      2.00000
     96      -6.0992      2.00000
     97      -5.9093      2.00000
     98      -5.8449      2.00000
     99      -5.7705      2.00000
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    113      -4.7906      2.00000
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    188       6.1110      0.00000
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    190       6.2199      0.00000
    191       6.3785      0.00000
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    193       6.6286      0.00000
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    203       8.7378      0.00000
    204       8.8659      0.00000
    205       9.2012      0.00000
    206       9.3626      0.00000
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    210       9.9268      0.00000
    211      10.0631      0.00000
    212      10.1034      0.00000
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    214      10.4013      0.00000
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    221      11.0447      0.00000
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    223      11.1504      0.00000
    224      11.2382      0.00000
    225      11.2766      0.00000
    226      11.3135      0.00000
    227      11.3525      0.00000
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    232      11.8084      0.00000
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    256      13.3411      0.00000

 k-point    96 :       0.1667   -0.2857    0.2500
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      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2542      2.00000
     42     -21.2045      2.00000
     43     -21.1912      2.00000
     44     -21.1728      2.00000
     45     -20.9556      2.00000
     46     -20.9309      2.00000
     47     -20.9144      2.00000
     48     -20.8966      2.00000
     49     -19.3111      2.00000
     50     -19.2981      2.00000
     51     -19.2885      2.00000
     52     -19.2764      2.00000
     53     -18.6987      2.00000
     54     -18.6796      2.00000
     55     -18.6713      2.00000
     56     -18.6497      2.00000
     57     -18.2600      2.00000
     58     -18.2201      2.00000
     59     -18.1866      2.00000
     60     -18.1599      2.00000
     61     -18.1291      2.00000
     62     -18.1203      2.00000
     63     -18.0649      2.00000
     64     -18.0496      2.00000
     65     -17.8956      2.00000
     66     -17.8845      2.00000
     67     -17.8647      2.00000
     68     -17.8546      2.00000
     69     -17.7827      2.00000
     70     -17.7221      2.00000
     71     -17.6995      2.00000
     72     -17.6548      2.00000
     73     -17.3063      2.00000
     74     -17.2997      2.00000
     75     -17.2926      2.00000
     76     -17.2846      2.00000
     77      -8.1469      2.00000
     78      -7.9147      2.00000
     79      -7.7695      2.00000
     80      -7.6401      2.00000
     81      -7.5994      2.00000
     82      -7.4779      2.00000
     83      -7.4190      2.00000
     84      -7.3742      2.00000
     85      -7.1232      2.00000
     86      -7.0960      2.00000
     87      -7.0711      2.00000
     88      -7.0413      2.00000
     89      -6.6358      2.00000
     90      -6.5791      2.00000
     91      -6.5487      2.00000
     92      -6.5219      2.00000
     93      -6.3709      2.00000
     94      -6.2543      2.00000
     95      -6.1620      2.00000
     96      -6.1021      2.00000
     97      -5.9239      2.00000
     98      -5.8323      2.00000
     99      -5.8024      2.00000
    100      -5.6588      2.00000
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    150      -1.3063      2.00000
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 k-point    97 :       0.3333   -0.2857    0.2500
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     22     -39.1838      2.00000
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     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
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     37     -38.5041      2.00000
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     40     -38.4786      2.00000
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 k-point    98 :       0.5000   -0.2857    0.2500
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     11     -39.2154      2.00000
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     27     -39.0333      2.00000
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     31     -39.0274      2.00000
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     49     -19.3105      2.00000
     50     -19.2987      2.00000
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     60     -18.1616      2.00000
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     64     -18.0484      2.00000
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     67     -17.8630      2.00000
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    231      11.6779      0.00000
    232      11.7435      0.00000
    233      11.8847      0.00000
    234      11.9571      0.00000
    235      12.0194      0.00000
    236      12.1234      0.00000
    237      12.2224      0.00000
    238      12.2399      0.00000
    239      12.3556      0.00000
    240      12.4133      0.00000
    241      12.4386      0.00000
    242      12.4598      0.00000
    243      12.5680      0.00000
    244      12.6093      0.00000
    245      12.7048      0.00000
    246      12.7110      0.00000
    247      12.8697      0.00000
    248      12.8877      0.00000
    249      12.9088      0.00000
    250      13.0129      0.00000
    251      13.0929      0.00000
    252      13.1354      0.00000
    253      13.1697      0.00000
    254      13.2371      0.00000
    255      13.2433      0.00000
    256      13.3534      0.00000

 k-point    99 :      -0.3333   -0.2857    0.2500
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2549      2.00000
     42     -21.2047      2.00000
     43     -21.1910      2.00000
     44     -21.1728      2.00000
     45     -20.9547      2.00000
     46     -20.9311      2.00000
     47     -20.9139      2.00000
     48     -20.8966      2.00000
     49     -19.3113      2.00000
     50     -19.2993      2.00000
     51     -19.2900      2.00000
     52     -19.2767      2.00000
     53     -18.7009      2.00000
     54     -18.6758      2.00000
     55     -18.6679      2.00000
     56     -18.6512      2.00000
     57     -18.2592      2.00000
     58     -18.2206      2.00000
     59     -18.1870      2.00000
     60     -18.1608      2.00000
     61     -18.1273      2.00000
     62     -18.1177      2.00000
     63     -18.0642      2.00000
     64     -18.0507      2.00000
     65     -17.8940      2.00000
     66     -17.8870      2.00000
     67     -17.8676      2.00000
     68     -17.8540      2.00000
     69     -17.7836      2.00000
     70     -17.7226      2.00000
     71     -17.6995      2.00000
     72     -17.6545      2.00000
     73     -17.3086      2.00000
     74     -17.3021      2.00000
     75     -17.2903      2.00000
     76     -17.2816      2.00000
     77      -8.1338      2.00000
     78      -7.8909      2.00000
     79      -7.7610      2.00000
     80      -7.6575      2.00000
     81      -7.5592      2.00000
     82      -7.5452      2.00000
     83      -7.4238      2.00000
     84      -7.4026      2.00000
     85      -7.1414      2.00000
     86      -7.1147      2.00000
     87      -7.0494      2.00000
     88      -7.0433      2.00000
     89      -6.6186      2.00000
     90      -6.5707      2.00000
     91      -6.5445      2.00000
     92      -6.5313      2.00000
     93      -6.3655      2.00000
     94      -6.2462      2.00000
     95      -6.1526      2.00000
     96      -6.0899      2.00000
     97      -5.9026      2.00000
     98      -5.8191      2.00000
     99      -5.7651      2.00000
    100      -5.6782      2.00000
    101      -5.6183      2.00000
    102      -5.5909      2.00000
    103      -5.3934      2.00000
    104      -5.3642      2.00000
    105      -5.3602      2.00000
    106      -5.3093      2.00000
    107      -5.2729      2.00000
    108      -5.2317      2.00000
    109      -5.2150      2.00000
    110      -5.1249      2.00000
    111      -5.0672      2.00000
    112      -5.0017      2.00000
    113      -4.8439      2.00000
    114      -4.7705      2.00000
    115      -4.7497      2.00000
    116      -4.6848      2.00000
    117      -4.5634      2.00000
    118      -4.5371      2.00000
    119      -4.4875      2.00000
    120      -4.4277      2.00000
    121      -4.1648      2.00000
    122      -4.0989      2.00000
    123      -3.8909      2.00000
    124      -3.8375      2.00000
    125      -3.6723      2.00000
    126      -3.6175      2.00000
    127      -3.5632      2.00000
    128      -3.5394      2.00000
    129      -2.6407      2.00000
    130      -2.6364      2.00000
    131      -2.4441      2.00000
    132      -2.4242      2.00000
    133      -2.3589      2.00000
    134      -2.3130      2.00000
    135      -2.1564      2.00000
    136      -2.1004      2.00000
    137      -1.9265      2.00000
    138      -1.9058      2.00000
    139      -1.8433      2.00000
    140      -1.8045      2.00000
    141      -1.7853      2.00000
    142      -1.7617      2.00000
    143      -1.6921      2.00000
    144      -1.6347      2.00000
    145      -1.5305      2.00000
    146      -1.4852      2.00000
    147      -1.4465      2.00000
    148      -1.3900      2.00000
    149      -1.3550      2.00000
    150      -1.3174      2.00000
    151      -1.3104      2.00000
    152      -1.2651      2.00000
    153      -1.2109      2.00000
    154      -1.1873      2.00000
    155      -1.1520      2.00000
    156      -1.1140      2.00000
    157      -1.0990      2.00000
    158      -1.0777      2.00000
    159      -1.0369      2.00000
    160      -0.9916      2.00000
    161      -0.9002      2.00000
    162      -0.8566      2.00000
    163      -0.8487      2.00000
    164      -0.7958      2.00000
    165      -0.7580      2.00000
    166      -0.7382      2.00000
    167      -0.7145      2.00000
    168      -0.6703      2.00000
    169      -0.6562      2.00000
    170      -0.6164      2.00000
    171      -0.5970      2.00000
    172      -0.5567      2.00000
    173      -0.4810      2.00000
    174      -0.4259      2.00000
    175      -0.3436      2.00000
    176      -0.2255      2.00000
    177      -0.1975      2.00000
    178      -0.0249      2.00000
    179       0.0681      2.00000
    180       0.1367      2.00000
    181       0.3195      2.00000
    182       0.3861      2.00000
    183       0.4406      2.00000
    184       0.4874      2.00000
    185       5.5183      0.00000
    186       5.8573      0.00000
    187       5.9378      0.00000
    188       6.1052      0.00000
    189       6.1295      0.00000
    190       6.1993      0.00000
    191       6.3671      0.00000
    192       6.4998      0.00000
    193       6.6261      0.00000
    194       6.8170      0.00000
    195       6.9416      0.00000
    196       7.1469      0.00000
    197       7.2455      0.00000
    198       7.5520      0.00000
    199       8.0690      0.00000
    200       8.3707      0.00000
    201       8.6152      0.00000
    202       8.6435      0.00000
    203       8.8049      0.00000
    204       8.9623      0.00000
    205       9.1326      0.00000
    206       9.2943      0.00000
    207       9.6064      0.00000
    208       9.6668      0.00000
    209       9.7463      0.00000
    210      10.0080      0.00000
    211      10.0683      0.00000
    212      10.1769      0.00000
    213      10.2759      0.00000
    214      10.3388      0.00000
    215      10.3855      0.00000
    216      10.5012      0.00000
    217      10.5837      0.00000
    218      10.7166      0.00000
    219      10.8341      0.00000
    220      10.9275      0.00000
    221      10.9972      0.00000
    222      11.0015      0.00000
    223      11.1221      0.00000
    224      11.2004      0.00000
    225      11.2743      0.00000
    226      11.3475      0.00000
    227      11.4030      0.00000
    228      11.4669      0.00000
    229      11.5377      0.00000
    230      11.6480      0.00000
    231      11.6775      0.00000
    232      11.7191      0.00000
    233      11.8504      0.00000
    234      11.9524      0.00000
    235      11.9862      0.00000
    236      12.0460      0.00000
    237      12.1637      0.00000
    238      12.2075      0.00000
    239      12.2931      0.00000
    240      12.3479      0.00000
    241      12.4425      0.00000
    242      12.4458      0.00000
    243      12.5672      0.00000
    244      12.5990      0.00000
    245      12.6819      0.00000
    246      12.7725      0.00000
    247      12.8288      0.00000
    248      12.8719      0.00000
    249      12.9613      0.00000
    250      12.9833      0.00000
    251      13.0206      0.00000
    252      13.0692      0.00000
    253      13.1160      0.00000
    254      13.2287      0.00000
    255      13.3070      0.00000
    256      13.3231      0.00000

 k-point   100 :      -0.1667   -0.2857    0.2500
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2559      2.00000
     42     -21.2050      2.00000
     43     -21.1908      2.00000
     44     -21.1727      2.00000
     45     -20.9536      2.00000
     46     -20.9313      2.00000
     47     -20.9133      2.00000
     48     -20.8966      2.00000
     49     -19.3121      2.00000
     50     -19.2992      2.00000
     51     -19.2916      2.00000
     52     -19.2754      2.00000
     53     -18.7039      2.00000
     54     -18.6745      2.00000
     55     -18.6682      2.00000
     56     -18.6531      2.00000
     57     -18.2588      2.00000
     58     -18.2199      2.00000
     59     -18.1800      2.00000
     60     -18.1597      2.00000
     61     -18.1263      2.00000
     62     -18.1174      2.00000
     63     -18.0653      2.00000
     64     -18.0524      2.00000
     65     -17.8920      2.00000
     66     -17.8861      2.00000
     67     -17.8708      2.00000
     68     -17.8562      2.00000
     69     -17.7837      2.00000
     70     -17.7226      2.00000
     71     -17.7001      2.00000
     72     -17.6543      2.00000
     73     -17.3111      2.00000
     74     -17.3043      2.00000
     75     -17.2884      2.00000
     76     -17.2793      2.00000
     77      -8.1230      2.00000
     78      -7.8832      2.00000
     79      -7.7805      2.00000
     80      -7.6607      2.00000
     81      -7.6001      2.00000
     82      -7.5486      2.00000
     83      -7.4207      2.00000
     84      -7.3679      2.00000
     85      -7.1433      2.00000
     86      -7.1005      2.00000
     87      -7.0606      2.00000
     88      -7.0417      2.00000
     89      -6.6038      2.00000
     90      -6.5617      2.00000
     91      -6.5421      2.00000
     92      -6.5302      2.00000
     93      -6.3672      2.00000
     94      -6.2441      2.00000
     95      -6.1466      2.00000
     96      -6.0931      2.00000
     97      -5.8974      2.00000
     98      -5.8392      2.00000
     99      -5.7353      2.00000
    100      -5.6955      2.00000
    101      -5.6349      2.00000
    102      -5.5770      2.00000
    103      -5.3922      2.00000
    104      -5.3860      2.00000
    105      -5.3676      2.00000
    106      -5.3177      2.00000
    107      -5.2866      2.00000
    108      -5.2530      2.00000
    109      -5.2026      2.00000
    110      -5.1306      2.00000
    111      -5.0908      2.00000
    112      -5.0049      2.00000
    113      -4.8049      2.00000
    114      -4.7256      2.00000
    115      -4.7170      2.00000
    116      -4.6659      2.00000
    117      -4.5826      2.00000
    118      -4.5158      2.00000
    119      -4.4872      2.00000
    120      -4.4537      2.00000
    121      -4.1879      2.00000
    122      -4.1075      2.00000
    123      -3.8971      2.00000
    124      -3.8229      2.00000
    125      -3.6805      2.00000
    126      -3.6104      2.00000
    127      -3.5627      2.00000
    128      -3.5577      2.00000
    129      -2.6606      2.00000
    130      -2.6197      2.00000
    131      -2.4421      2.00000
    132      -2.4025      2.00000
    133      -2.3794      2.00000
    134      -2.3147      2.00000
    135      -2.1716      2.00000
    136      -2.1276      2.00000
    137      -1.9556      2.00000
    138      -1.8769      2.00000
    139      -1.8494      2.00000
    140      -1.8195      2.00000
    141      -1.7851      2.00000
    142      -1.7581      2.00000
    143      -1.6647      2.00000
    144      -1.6185      2.00000
    145      -1.5206      2.00000
    146      -1.4614      2.00000
    147      -1.4438      2.00000
    148      -1.3927      2.00000
    149      -1.3484      2.00000
    150      -1.3372      2.00000
    151      -1.3172      2.00000
    152      -1.2574      2.00000
    153      -1.2138      2.00000
    154      -1.1643      2.00000
    155      -1.1476      2.00000
    156      -1.1334      2.00000
    157      -1.0982      2.00000
    158      -1.0789      2.00000
    159      -1.0302      2.00000
    160      -0.9909      2.00000
    161      -0.8885      2.00000
    162      -0.8572      2.00000
    163      -0.8359      2.00000
    164      -0.8077      2.00000
    165      -0.7638      2.00000
    166      -0.7244      2.00000
    167      -0.7127      2.00000
    168      -0.7043      2.00000
    169      -0.6576      2.00000
    170      -0.6083      2.00000
    171      -0.5963      2.00000
    172      -0.5510      2.00000
    173      -0.4860      2.00000
    174      -0.4007      2.00000
    175      -0.3539      2.00000
    176      -0.2350      2.00000
    177      -0.1957      2.00000
    178      -0.0229      2.00000
    179       0.0742      2.00000
    180       0.1356      2.00000
    181       0.3189      2.00000
    182       0.3764      2.00000
    183       0.4348      2.00000
    184       0.4829      2.00000
    185       5.4344      0.00000
    186       5.8534      0.00000
    187       5.9563      0.00000
    188       6.1154      0.00000
    189       6.1295      0.00000
    190       6.2019      0.00000
    191       6.3772      0.00000
    192       6.5209      0.00000
    193       6.6308      0.00000
    194       6.8526      0.00000
    195       7.0025      0.00000
    196       7.1139      0.00000
    197       7.3664      0.00000
    198       7.6308      0.00000
    199       7.9855      0.00000
    200       8.3291      0.00000
    201       8.5129      0.00000
    202       8.6003      0.00000
    203       8.7240      0.00000
    204       8.8177      0.00000
    205       9.1344      0.00000
    206       9.4421      0.00000
    207       9.5418      0.00000
    208       9.6784      0.00000
    209       9.7551      0.00000
    210       9.9535      0.00000
    211      10.0900      0.00000
    212      10.1628      0.00000
    213      10.3181      0.00000
    214      10.3831      0.00000
    215      10.4489      0.00000
    216      10.4869      0.00000
    217      10.6181      0.00000
    218      10.7547      0.00000
    219      10.8247      0.00000
    220      10.8847      0.00000
    221      11.0213      0.00000
    222      11.1084      0.00000
    223      11.1364      0.00000
    224      11.2457      0.00000
    225      11.2615      0.00000
    226      11.3598      0.00000
    227      11.3869      0.00000
    228      11.4496      0.00000
    229      11.5089      0.00000
    230      11.6425      0.00000
    231      11.7356      0.00000
    232      11.7901      0.00000
    233      11.8731      0.00000
    234      11.9176      0.00000
    235      12.0237      0.00000
    236      12.0864      0.00000
    237      12.1283      0.00000
    238      12.1562      0.00000
    239      12.2574      0.00000
    240      12.3291      0.00000
    241      12.3915      0.00000
    242      12.4830      0.00000
    243      12.4905      0.00000
    244      12.6274      0.00000
    245      12.6722      0.00000
    246      12.7212      0.00000
    247      12.7643      0.00000
    248      12.8231      0.00000
    249      12.8716      0.00000
    250      12.9260      0.00000
    251      13.0348      0.00000
    252      13.0972      0.00000
    253      13.1599      0.00000
    254      13.1897      0.00000
    255      13.2676      0.00000
    256      13.3768      0.00000

 k-point   101 :      -0.0000   -0.1429    0.2500
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2655      2.00000
     42     -21.1962      2.00000
     43     -21.1894      2.00000
     44     -21.1722      2.00000
     45     -20.9626      2.00000
     46     -20.9384      2.00000
     47     -20.9045      2.00000
     48     -20.8889      2.00000
     49     -19.3142      2.00000
     50     -19.2961      2.00000
     51     -19.2941      2.00000
     52     -19.2723      2.00000
     53     -18.7099      2.00000
     54     -18.6759      2.00000
     55     -18.6692      2.00000
     56     -18.6489      2.00000
     57     -18.2778      2.00000
     58     -18.2314      2.00000
     59     -18.1802      2.00000
     60     -18.1423      2.00000
     61     -18.1163      2.00000
     62     -18.1091      2.00000
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     67     -17.8690      2.00000
     68     -17.8528      2.00000
     69     -17.7980      2.00000
     70     -17.7370      2.00000
     71     -17.6816      2.00000
     72     -17.6408      2.00000
     73     -17.3165      2.00000
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     75     -17.2853      2.00000
     76     -17.2764      2.00000
     77      -8.1770      2.00000
     78      -7.8509      2.00000
     79      -7.8213      2.00000
     80      -7.6826      2.00000
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     95      -6.1483      2.00000
     96      -6.0674      2.00000
     97      -5.9224      2.00000
     98      -5.8526      2.00000
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    110      -5.1146      2.00000
    111      -5.0909      2.00000
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    114      -4.7031      2.00000
    115      -4.6879      2.00000
    116      -4.6515      2.00000
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    120      -4.4281      2.00000
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    150      -1.3114      2.00000
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    182       0.3589      2.00000
    183       0.4551      2.00000
    184       0.5026      2.00000
    185       5.3070      0.00000
    186       5.8427      0.00000
    187       5.9377      0.00000
    188       6.0998      0.00000
    189       6.1287      0.00000
    190       6.2182      0.00000
    191       6.5128      0.00000
    192       6.5708      0.00000
    193       6.5919      0.00000
    194       6.8526      0.00000
    195       6.9260      0.00000
    196       7.1482      0.00000
    197       7.3687      0.00000
    198       7.6676      0.00000
    199       8.0071      0.00000
    200       8.4384      0.00000
    201       8.5784      0.00000
    202       8.7110      0.00000
    203       8.7789      0.00000
    204       8.9006      0.00000
    205       9.1625      0.00000
    206       9.2092      0.00000
    207       9.3272      0.00000
    208       9.5526      0.00000
    209       9.7215      0.00000
    210       9.8509      0.00000
    211      10.0325      0.00000
    212      10.1154      0.00000
    213      10.2110      0.00000
    214      10.3417      0.00000
    215      10.3992      0.00000
    216      10.5554      0.00000
    217      10.6286      0.00000
    218      10.7493      0.00000
    219      10.7775      0.00000
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    223      11.1780      0.00000
    224      11.2300      0.00000
    225      11.2991      0.00000
    226      11.3533      0.00000
    227      11.3984      0.00000
    228      11.4875      0.00000
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    230      11.7219      0.00000
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    234      11.9699      0.00000
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    236      12.1224      0.00000
    237      12.1595      0.00000
    238      12.2283      0.00000
    239      12.2857      0.00000
    240      12.3215      0.00000
    241      12.4093      0.00000
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    243      12.4696      0.00000
    244      12.5792      0.00000
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    253      13.1247      0.00000
    254      13.1982      0.00000
    255      13.2413      0.00000
    256      13.3102      0.00000

 k-point   102 :       0.1667   -0.1429    0.2500
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2640      2.00000
     42     -21.1965      2.00000
     43     -21.1893      2.00000
     44     -21.1723      2.00000
     45     -20.9643      2.00000
     46     -20.9381      2.00000
     47     -20.9052      2.00000
     48     -20.8889      2.00000
     49     -19.3134      2.00000
     50     -19.2947      2.00000
     51     -19.2918      2.00000
     52     -19.2744      2.00000
     53     -18.7044      2.00000
     54     -18.6794      2.00000
     55     -18.6733      2.00000
     56     -18.6448      2.00000
     57     -18.2778      2.00000
     58     -18.2315      2.00000
     59     -18.1887      2.00000
     60     -18.1433      2.00000
     61     -18.1179      2.00000
     62     -18.1102      2.00000
     63     -18.0707      2.00000
     64     -18.0484      2.00000
     65     -17.8981      2.00000
     66     -17.8830      2.00000
     67     -17.8651      2.00000
     68     -17.8522      2.00000
     69     -17.7977      2.00000
     70     -17.7366      2.00000
     71     -17.6812      2.00000
     72     -17.6411      2.00000
     73     -17.3108      2.00000
     74     -17.3035      2.00000
     75     -17.2904      2.00000
     76     -17.2820      2.00000
     77      -8.1944      2.00000
     78      -7.8684      2.00000
     79      -7.8109      2.00000
     80      -7.6738      2.00000
     81      -7.5913      2.00000
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     84      -7.3411      2.00000
     85      -7.1415      2.00000
     86      -7.1211      2.00000
     87      -7.0634      2.00000
     88      -7.0354      2.00000
     89      -6.6449      2.00000
     90      -6.5630      2.00000
     91      -6.5535      2.00000
     92      -6.5185      2.00000
     93      -6.3841      2.00000
     94      -6.2156      2.00000
     95      -6.1539      2.00000
     96      -6.0725      2.00000
     97      -5.9439      2.00000
     98      -5.8467      2.00000
     99      -5.7979      2.00000
    100      -5.6207      2.00000
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    184       0.5074      2.00000
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    186       5.8479      0.00000
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    188       6.1077      0.00000
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    190       6.2026      0.00000
    191       6.3482      0.00000
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    193       6.5820      0.00000
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    210       9.7876      0.00000
    211      10.0028      0.00000
    212      10.0709      0.00000
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    225      11.2626      0.00000
    226      11.3905      0.00000
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    230      11.6431      0.00000
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    232      11.8083      0.00000
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    254      13.2045      0.00000
    255      13.2431      0.00000
    256      13.3152      0.00000

 k-point   103 :       0.3333   -0.1429    0.2500
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2628      2.00000
     42     -21.1967      2.00000
     43     -21.1893      2.00000
     44     -21.1724      2.00000
     45     -20.9655      2.00000
     46     -20.9378      2.00000
     47     -20.9056      2.00000
     48     -20.8889      2.00000
     49     -19.3126      2.00000
     50     -19.2944      2.00000
     51     -19.2892      2.00000
     52     -19.2772      2.00000
     53     -18.6992      2.00000
     54     -18.6792      2.00000
     55     -18.6774      2.00000
     56     -18.6422      2.00000
     57     -18.2778      2.00000
     58     -18.2326      2.00000
     59     -18.1964      2.00000
     60     -18.1446      2.00000
     61     -18.1187      2.00000
     62     -18.1100      2.00000
     63     -18.0699      2.00000
     64     -18.0461      2.00000
     65     -17.9000      2.00000
     66     -17.8829      2.00000
     67     -17.8623      2.00000
     68     -17.8514      2.00000
     69     -17.7976      2.00000
     70     -17.7366      2.00000
     71     -17.6808      2.00000
     72     -17.6413      2.00000
     73     -17.3028      2.00000
     74     -17.2978      2.00000
     75     -17.2956      2.00000
     76     -17.2896      2.00000
     77      -8.2045      2.00000
     78      -7.8707      2.00000
     79      -7.7941      2.00000
     80      -7.6759      2.00000
     81      -7.5807      2.00000
     82      -7.4277      2.00000
     83      -7.3858      2.00000
     84      -7.3738      2.00000
     85      -7.1465      2.00000
     86      -7.1102      2.00000
     87      -7.0669      2.00000
     88      -7.0388      2.00000
     89      -6.6665      2.00000
     90      -6.5832      2.00000
     91      -6.5396      2.00000
     92      -6.5234      2.00000
     93      -6.3874      2.00000
     94      -6.2173      2.00000
     95      -6.1570      2.00000
     96      -6.0711      2.00000
     97      -5.9514      2.00000
     98      -5.8454      2.00000
     99      -5.7783      2.00000
    100      -5.6164      2.00000
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    123      -3.9343      2.00000
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    125      -3.6686      2.00000
    126      -3.6371      2.00000
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    128      -3.5187      2.00000
    129      -2.7087      2.00000
    130      -2.6554      2.00000
    131      -2.4698      2.00000
    132      -2.4562      2.00000
    133      -2.3863      2.00000
    134      -2.3191      2.00000
    135      -2.1300      2.00000
    136      -2.1017      2.00000
    137      -2.0036      2.00000
    138      -1.8843      2.00000
    139      -1.8710      2.00000
    140      -1.7962      2.00000
    141      -1.7481      2.00000
    142      -1.7318      2.00000
    143      -1.6840      2.00000
    144      -1.6358      2.00000
    145      -1.5085      2.00000
    146      -1.4440      2.00000
    147      -1.4325      2.00000
    148      -1.3712      2.00000
    149      -1.3474      2.00000
    150      -1.3093      2.00000
    151      -1.2792      2.00000
    152      -1.2189      2.00000
    153      -1.1879      2.00000
    154      -1.1667      2.00000
    155      -1.1637      2.00000
    156      -1.1464      2.00000
    157      -1.0851      2.00000
    158      -1.0604      2.00000
    159      -1.0260      2.00000
    160      -0.9904      2.00000
    161      -0.9300      2.00000
    162      -0.8794      2.00000
    163      -0.8122      2.00000
    164      -0.7951      2.00000
    165      -0.7767      2.00000
    166      -0.7361      2.00000
    167      -0.7070      2.00000
    168      -0.6683      2.00000
    169      -0.6454      2.00000
    170      -0.6237      2.00000
    171      -0.5806      2.00000
    172      -0.5676      2.00000
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    174      -0.4430      2.00000
    175      -0.3745      2.00000
    176      -0.2582      2.00000
    177      -0.1926      2.00000
    178      -0.0646      2.00000
    179       0.1206      2.00000
    180       0.1844      2.00000
    181       0.2778      2.00000
    182       0.3804      2.00000
    183       0.4705      2.00000
    184       0.5118      2.00000
    185       5.5930      0.00000
    186       5.8267      0.00000
    187       5.9446      0.00000
    188       6.0799      0.00000
    189       6.1194      0.00000
    190       6.1339      0.00000
    191       6.1865      0.00000
    192       6.5330      0.00000
    193       6.5745      0.00000
    194       6.7695      0.00000
    195       6.9000      0.00000
    196       7.2782      0.00000
    197       7.4180      0.00000
    198       7.5738      0.00000
    199       8.1884      0.00000
    200       8.4070      0.00000
    201       8.6428      0.00000
    202       8.7746      0.00000
    203       8.8961      0.00000
    204       8.9865      0.00000
    205       9.1320      0.00000
    206       9.2132      0.00000
    207       9.4395      0.00000
    208       9.5139      0.00000
    209       9.7227      0.00000
    210       9.7941      0.00000
    211       9.9893      0.00000
    212      10.0397      0.00000
    213      10.2771      0.00000
    214      10.4242      0.00000
    215      10.5008      0.00000
    216      10.5608      0.00000
    217      10.6809      0.00000
    218      10.7560      0.00000
    219      10.7877      0.00000
    220      10.8250      0.00000
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    222      11.0186      0.00000
    223      11.0461      0.00000
    224      11.2246      0.00000
    225      11.2573      0.00000
    226      11.3093      0.00000
    227      11.3868      0.00000
    228      11.4621      0.00000
    229      11.5656      0.00000
    230      11.6215      0.00000
    231      11.7301      0.00000
    232      11.7488      0.00000
    233      11.9164      0.00000
    234      12.0025      0.00000
    235      12.1047      0.00000
    236      12.1427      0.00000
    237      12.1812      0.00000
    238      12.2532      0.00000
    239      12.3085      0.00000
    240      12.3943      0.00000
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    242      12.4604      0.00000
    243      12.5740      0.00000
    244      12.6008      0.00000
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    246      12.7506      0.00000
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    250      13.0355      0.00000
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    253      13.1731      0.00000
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    255      13.2612      0.00000
    256      13.3425      0.00000

 k-point   104 :       0.5000   -0.1429    0.2500
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2632      2.00000
     42     -21.1966      2.00000
     43     -21.1893      2.00000
     44     -21.1724      2.00000
     45     -20.9650      2.00000
     46     -20.9379      2.00000
     47     -20.9055      2.00000
     48     -20.8889      2.00000
     49     -19.3125      2.00000
     50     -19.2953      2.00000
     51     -19.2901      2.00000
     52     -19.2770      2.00000
     53     -18.7014      2.00000
     54     -18.6775      2.00000
     55     -18.6738      2.00000
     56     -18.6433      2.00000
     57     -18.2780      2.00000
     58     -18.2337      2.00000
     59     -18.1955      2.00000
     60     -18.1447      2.00000
     61     -18.1178      2.00000
     62     -18.1091      2.00000
     63     -18.0693      2.00000
     64     -18.0468      2.00000
     65     -17.8987      2.00000
     66     -17.8845      2.00000
     67     -17.8636      2.00000
     68     -17.8513      2.00000
     69     -17.7977      2.00000
     70     -17.7370      2.00000
     71     -17.6808      2.00000
     72     -17.6411      2.00000
     73     -17.3071      2.00000
     74     -17.3002      2.00000
     75     -17.2934      2.00000
     76     -17.2849      2.00000
     77      -8.1986      2.00000
     78      -7.8601      2.00000
     79      -7.7805      2.00000
     80      -7.6902      2.00000
     81      -7.5735      2.00000
     82      -7.4480      2.00000
     83      -7.4018      2.00000
     84      -7.3892      2.00000
     85      -7.1427      2.00000
     86      -7.1057      2.00000
     87      -7.0665      2.00000
     88      -7.0420      2.00000
     89      -6.6568      2.00000
     90      -6.5775      2.00000
     91      -6.5363      2.00000
     92      -6.5288      2.00000
     93      -6.3898      2.00000
     94      -6.2148      2.00000
     95      -6.1550      2.00000
     96      -6.0655      2.00000
     97      -5.9410      2.00000
     98      -5.8290      2.00000
     99      -5.7763      2.00000
    100      -5.6124      2.00000
    101      -5.5820      2.00000
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    103      -5.4569      2.00000
    104      -5.3835      2.00000
    105      -5.3562      2.00000
    106      -5.3420      2.00000
    107      -5.2694      2.00000
    108      -5.2466      2.00000
    109      -5.1743      2.00000
    110      -5.1158      2.00000
    111      -5.0316      2.00000
    112      -5.0160      2.00000
    113      -4.8837      2.00000
    114      -4.8060      2.00000
    115      -4.7587      2.00000
    116      -4.6723      2.00000
    117      -4.5732      2.00000
    118      -4.5501      2.00000
    119      -4.4742      2.00000
    120      -4.3744      2.00000
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    122      -4.0848      2.00000
    123      -3.9110      2.00000
    124      -3.8316      2.00000
    125      -3.6789      2.00000
    126      -3.6324      2.00000
    127      -3.6059      2.00000
    128      -3.5220      2.00000
    129      -2.6930      2.00000
    130      -2.6371      2.00000
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    141      -1.7821      2.00000
    142      -1.7317      2.00000
    143      -1.7197      2.00000
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    145      -1.5205      2.00000
    146      -1.4634      2.00000
    147      -1.3996      2.00000
    148      -1.3794      2.00000
    149      -1.3532      2.00000
    150      -1.3205      2.00000
    151      -1.2885      2.00000
    152      -1.2488      2.00000
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    154      -1.1792      2.00000
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    160      -0.9956      2.00000
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    183       0.4687      2.00000
    184       0.5110      2.00000
    185       5.5382      0.00000
    186       5.8424      0.00000
    187       5.8898      0.00000
    188       6.1038      0.00000
    189       6.1287      0.00000
    190       6.1798      0.00000
    191       6.2259      0.00000
    192       6.5367      0.00000
    193       6.5748      0.00000
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    195       6.8943      0.00000
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    198       7.6222      0.00000
    199       8.1264      0.00000
    200       8.4342      0.00000
    201       8.6364      0.00000
    202       8.8012      0.00000
    203       8.8570      0.00000
    204       8.9231      0.00000
    205       9.1008      0.00000
    206       9.2828      0.00000
    207       9.4236      0.00000
    208       9.4666      0.00000
    209       9.6901      0.00000
    210       9.8902      0.00000
    211      10.0582      0.00000
    212      10.1121      0.00000
    213      10.2356      0.00000
    214      10.3907      0.00000
    215      10.4791      0.00000
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    217      10.6491      0.00000
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    219      10.8410      0.00000
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    222      11.0278      0.00000
    223      11.0753      0.00000
    224      11.1885      0.00000
    225      11.2845      0.00000
    226      11.3004      0.00000
    227      11.4458      0.00000
    228      11.4634      0.00000
    229      11.5655      0.00000
    230      11.6300      0.00000
    231      11.6818      0.00000
    232      11.7708      0.00000
    233      11.8779      0.00000
    234      11.9536      0.00000
    235      12.0158      0.00000
    236      12.1018      0.00000
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    238      12.2525      0.00000
    239      12.3178      0.00000
    240      12.3803      0.00000
    241      12.4272      0.00000
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    243      12.5774      0.00000
    244      12.6199      0.00000
    245      12.6616      0.00000
    246      12.7081      0.00000
    247      12.8588      0.00000
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    250      13.0296      0.00000
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    253      13.1930      0.00000
    254      13.2110      0.00000
    255      13.2979      0.00000
    256      13.3871      0.00000

 k-point   105 :      -0.3333   -0.1429    0.2500
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2648      2.00000
     42     -21.1963      2.00000
     43     -21.1894      2.00000
     44     -21.1723      2.00000
     45     -20.9633      2.00000
     46     -20.9382      2.00000
     47     -20.9048      2.00000
     48     -20.8889      2.00000
     49     -19.3133      2.00000
     50     -19.2962      2.00000
     51     -19.2937      2.00000
     52     -19.2743      2.00000
     53     -18.7073      2.00000
     54     -18.6740      2.00000
     55     -18.6691      2.00000
     56     -18.6474      2.00000
     57     -18.2781      2.00000
     58     -18.2337      2.00000
     59     -18.1872      2.00000
     60     -18.1436      2.00000
     61     -18.1162      2.00000
     62     -18.1081      2.00000
     63     -18.0694      2.00000
     64     -18.0498      2.00000
     65     -17.8956      2.00000
     66     -17.8865      2.00000
     67     -17.8676      2.00000
     68     -17.8520      2.00000
     69     -17.7981      2.00000
     70     -17.7374      2.00000
     71     -17.6812      2.00000
     72     -17.6407      2.00000
     73     -17.3142      2.00000
     74     -17.3072      2.00000
     75     -17.2869      2.00000
     76     -17.2780      2.00000
     77      -8.1817      2.00000
     78      -7.8438      2.00000
     79      -7.7906      2.00000
     80      -7.6960      2.00000
     81      -7.5810      2.00000
     82      -7.5240      2.00000
     83      -7.3955      2.00000
     84      -7.3669      2.00000
     85      -7.1435      2.00000
     86      -7.0982      2.00000
     87      -7.0594      2.00000
     88      -7.0518      2.00000
     89      -6.6283      2.00000
     90      -6.5519      2.00000
     91      -6.5470      2.00000
     92      -6.5270      2.00000
     93      -6.3901      2.00000
     94      -6.2099      2.00000
     95      -6.1498      2.00000
     96      -6.0604      2.00000
     97      -5.9204      2.00000
     98      -5.8174      2.00000
     99      -5.7898      2.00000
    100      -5.6293      2.00000
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    102      -5.5424      2.00000
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    104      -5.3908      2.00000
    105      -5.3786      2.00000
    106      -5.3330      2.00000
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    120      -4.4024      2.00000
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    123      -3.9166      2.00000
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    128      -3.5480      2.00000
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    184       0.5061      2.00000
    185       5.3698      0.00000
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    187       5.9262      0.00000
    188       6.0896      0.00000
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    190       6.1896      0.00000
    191       6.4527      0.00000
    192       6.5589      0.00000
    193       6.5874      0.00000
    194       6.8340      0.00000
    195       6.9048      0.00000
    196       7.2281      0.00000
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    199       8.0370      0.00000
    200       8.4675      0.00000
    201       8.5905      0.00000
    202       8.6984      0.00000
    203       8.7979      0.00000
    204       9.0044      0.00000
    205       9.0462      0.00000
    206       9.1841      0.00000
    207       9.3741      0.00000
    208       9.5258      0.00000
    209       9.7147      0.00000
    210       9.9534      0.00000
    211      10.0960      0.00000
    212      10.1895      0.00000
    213      10.2467      0.00000
    214      10.2704      0.00000
    215      10.4085      0.00000
    216      10.4494      0.00000
    217      10.6729      0.00000
    218      10.7301      0.00000
    219      10.8546      0.00000
    220      10.9576      0.00000
    221      11.0346      0.00000
    222      11.1132      0.00000
    223      11.1568      0.00000
    224      11.1886      0.00000
    225      11.2672      0.00000
    226      11.3541      0.00000
    227      11.4576      0.00000
    228      11.5021      0.00000
    229      11.5680      0.00000
    230      11.6368      0.00000
    231      11.6898      0.00000
    232      11.8099      0.00000
    233      11.8778      0.00000
    234      11.9007      0.00000
    235      11.9824      0.00000
    236      12.0683      0.00000
    237      12.1680      0.00000
    238      12.2050      0.00000
    239      12.2627      0.00000
    240      12.3666      0.00000
    241      12.4027      0.00000
    242      12.4765      0.00000
    243      12.5524      0.00000
    244      12.6206      0.00000
    245      12.6388      0.00000
    246      12.7525      0.00000
    247      12.8060      0.00000
    248      12.8674      0.00000
    249      12.9648      0.00000
    250      13.0065      0.00000
    251      13.0198      0.00000
    252      13.0977      0.00000
    253      13.1089      0.00000
    254      13.2592      0.00000
    255      13.3339      0.00000
    256      13.3651      0.00000

 k-point   106 :      -0.1667   -0.1429    0.2500
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2659      2.00000
     42     -21.1961      2.00000
     43     -21.1894      2.00000
     44     -21.1722      2.00000
     45     -20.9621      2.00000
     46     -20.9385      2.00000
     47     -20.9044      2.00000
     48     -20.8889      2.00000
     49     -19.3142      2.00000
     50     -19.2962      2.00000
     51     -19.2957      2.00000
     52     -19.2724      2.00000
     53     -18.7110      2.00000
     54     -18.6721      2.00000
     55     -18.6682      2.00000
     56     -18.6505      2.00000
     57     -18.2779      2.00000
     58     -18.2325      2.00000
     59     -18.1795      2.00000
     60     -18.1424      2.00000
     61     -18.1155      2.00000
     62     -18.1079      2.00000
     63     -18.0705      2.00000
     64     -18.0521      2.00000
     65     -17.8938      2.00000
     66     -17.8872      2.00000
     67     -17.8702      2.00000
     68     -17.8527      2.00000
     69     -17.7982      2.00000
     70     -17.7374      2.00000
     71     -17.6816      2.00000
     72     -17.6406      2.00000
     73     -17.3178      2.00000
     74     -17.3107      2.00000
     75     -17.2840      2.00000
     76     -17.2749      2.00000
     77      -8.1700      2.00000
     78      -7.8315      2.00000
     79      -7.8196      2.00000
     80      -7.6915      2.00000
     81      -7.5973      2.00000
     82      -7.5560      2.00000
     83      -7.3903      2.00000
     84      -7.3302      2.00000
     85      -7.1486      2.00000
     86      -7.0861      2.00000
     87      -7.0719      2.00000
     88      -7.0482      2.00000
     89      -6.6139      2.00000
     90      -6.5621      2.00000
     91      -6.5279      2.00000
     92      -6.5195      2.00000
     93      -6.3888      2.00000
     94      -6.2066      2.00000
     95      -6.1463      2.00000
     96      -6.0610      2.00000
     97      -5.9084      2.00000
     98      -5.8462      2.00000
     99      -5.7699      2.00000
    100      -5.6555      2.00000
    101      -5.6031      2.00000
    102      -5.5530      2.00000
    103      -5.4319      2.00000
    104      -5.4082      2.00000
    105      -5.3855      2.00000
    106      -5.3161      2.00000
    107      -5.2979      2.00000
    108      -5.2771      2.00000
    109      -5.1980      2.00000
    110      -5.1041      2.00000
    111      -5.0894      2.00000
    112      -4.9723      2.00000
    113      -4.8203      2.00000
    114      -4.7350      2.00000
    115      -4.6981      2.00000
    116      -4.6571      2.00000
    117      -4.6032      2.00000
    118      -4.4973      2.00000
    119      -4.4770      2.00000
    120      -4.4404      2.00000
    121      -4.1989      2.00000
    122      -4.0721      2.00000
    123      -3.9376      2.00000
    124      -3.8157      2.00000
    125      -3.7080      2.00000
    126      -3.6118      2.00000
    127      -3.5786      2.00000
    128      -3.5677      2.00000
    129      -2.6994      2.00000
    130      -2.6540      2.00000
    131      -2.5160      2.00000
    132      -2.4631      2.00000
    133      -2.3632      2.00000
    134      -2.3333      2.00000
    135      -2.1642      2.00000
    136      -2.1162      2.00000
    137      -1.9366      2.00000
    138      -1.8617      2.00000
    139      -1.8382      2.00000
    140      -1.7925      2.00000
    141      -1.7856      2.00000
    142      -1.7573      2.00000
    143      -1.6626      2.00000
    144      -1.5849      2.00000
    145      -1.5246      2.00000
    146      -1.4489      2.00000
    147      -1.4366      2.00000
    148      -1.4009      2.00000
    149      -1.3518      2.00000
    150      -1.3166      2.00000
    151      -1.3015      2.00000
    152      -1.2547      2.00000
    153      -1.1999      2.00000
    154      -1.1845      2.00000
    155      -1.1749      2.00000
    156      -1.1049      2.00000
    157      -1.0805      2.00000
    158      -1.0544      2.00000
    159      -1.0114      2.00000
    160      -0.9648      2.00000
    161      -0.8812      2.00000
    162      -0.8534      2.00000
    163      -0.8061      2.00000
    164      -0.7794      2.00000
    165      -0.7603      2.00000
    166      -0.7312      2.00000
    167      -0.7218      2.00000
    168      -0.6875      2.00000
    169      -0.6673      2.00000
    170      -0.6084      2.00000
    171      -0.5851      2.00000
    172      -0.5563      2.00000
    173      -0.5195      2.00000
    174      -0.4517      2.00000
    175      -0.3901      2.00000
    176      -0.2699      2.00000
    177      -0.1944      2.00000
    178      -0.0578      2.00000
    179       0.1373      2.00000
    180       0.1637      2.00000
    181       0.3029      2.00000
    182       0.3600      2.00000
    183       0.4522      2.00000
    184       0.5020      2.00000
    185       5.2767      0.00000
    186       5.8389      0.00000
    187       5.9692      0.00000
    188       6.0857      0.00000
    189       6.1269      0.00000
    190       6.2104      0.00000
    191       6.5292      0.00000
    192       6.5769      0.00000
    193       6.5975      0.00000
    194       6.9123      0.00000
    195       6.9394      0.00000
    196       7.0742      0.00000
    197       7.4415      0.00000
    198       7.6619      0.00000
    199       7.9119      0.00000
    200       8.5076      0.00000
    201       8.5897      0.00000
    202       8.7032      0.00000
    203       8.7933      0.00000
    204       8.8123      0.00000
    205       9.0446      0.00000
    206       9.2771      0.00000
    207       9.4105      0.00000
    208       9.4595      0.00000
    209       9.6746      0.00000
    210       9.9011      0.00000
    211      10.1154      0.00000
    212      10.1621      0.00000
    213      10.2373      0.00000
    214      10.3354      0.00000
    215      10.3831      0.00000
    216      10.4936      0.00000
    217      10.6335      0.00000
    218      10.8300      0.00000
    219      10.8594      0.00000
    220      10.9163      0.00000
    221      11.0904      0.00000
    222      11.1072      0.00000
    223      11.1715      0.00000
    224      11.2588      0.00000
    225      11.3310      0.00000
    226      11.3845      0.00000
    227      11.4884      0.00000
    228      11.4979      0.00000
    229      11.5527      0.00000
    230      11.5891      0.00000
    231      11.7983      0.00000
    232      11.8452      0.00000
    233      11.8964      0.00000
    234      11.9006      0.00000
    235      11.9789      0.00000
    236      12.1038      0.00000
    237      12.1320      0.00000
    238      12.1652      0.00000
    239      12.2865      0.00000
    240      12.3350      0.00000
    241      12.3909      0.00000
    242      12.4495      0.00000
    243      12.4796      0.00000
    244      12.5757      0.00000
    245      12.6680      0.00000
    246      12.6991      0.00000
    247      12.8140      0.00000
    248      12.8160      0.00000
    249      12.8638      0.00000
    250      12.9091      0.00000
    251      13.0334      0.00000
    252      13.1028      0.00000
    253      13.1356      0.00000
    254      13.2401      0.00000
    255      13.2793      0.00000
    256      13.3861      0.00000

 k-point   107 :      -0.0000   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2529      2.00000
     42     -21.2144      2.00000
     43     -21.1796      2.00000
     44     -21.1763      2.00000
     45     -20.9603      2.00000
     46     -20.9471      2.00000
     47     -20.8979      2.00000
     48     -20.8897      2.00000
     49     -19.3089      2.00000
     50     -19.2992      2.00000
     51     -19.2881      2.00000
     52     -19.2762      2.00000
     53     -18.7049      2.00000
     54     -18.6872      2.00000
     55     -18.6659      2.00000
     56     -18.6542      2.00000
     57     -18.2779      2.00000
     58     -18.2532      2.00000
     59     -18.1601      2.00000
     60     -18.1304      2.00000
     61     -18.1065      2.00000
     62     -18.0993      2.00000
     63     -18.0782      2.00000
     64     -18.0772      2.00000
     65     -17.8914      2.00000
     66     -17.8858      2.00000
     67     -17.8596      2.00000
     68     -17.8514      2.00000
     69     -17.7945      2.00000
     70     -17.7610      2.00000
     71     -17.6656      2.00000
     72     -17.6447      2.00000
     73     -17.3110      2.00000
     74     -17.3070      2.00000
     75     -17.2856      2.00000
     76     -17.2808      2.00000
     77      -8.0866      2.00000
     78      -7.8382      2.00000
     79      -7.8330      2.00000
     80      -7.7827      2.00000
     81      -7.6241      2.00000
     82      -7.5697      2.00000
     83      -7.3703      2.00000
     84      -7.3256      2.00000
     85      -7.1473      2.00000
     86      -7.1299      2.00000
     87      -7.0568      2.00000
     88      -7.0412      2.00000
     89      -6.6073      2.00000
     90      -6.5824      2.00000
     91      -6.5287      2.00000
     92      -6.5281      2.00000
     93      -6.3066      2.00000
     94      -6.1839      2.00000
     95      -6.1534      2.00000
     96      -6.0829      2.00000
     97      -5.9232      2.00000
     98      -5.8877      2.00000
     99      -5.7246      2.00000
    100      -5.5944      2.00000
    101      -5.5438      2.00000
    102      -5.4937      2.00000
    103      -5.4504      2.00000
    104      -5.4071      2.00000
    105      -5.3967      2.00000
    106      -5.3632      2.00000
    107      -5.3476      2.00000
    108      -5.2977      2.00000
    109      -5.1919      2.00000
    110      -5.1313      2.00000
    111      -5.0725      2.00000
    112      -5.0171      2.00000
    113      -4.7817      2.00000
    114      -4.7139      2.00000
    115      -4.7094      2.00000
    116      -4.6782      2.00000
    117      -4.5857      2.00000
    118      -4.5480      2.00000
    119      -4.4606      2.00000
    120      -4.4328      2.00000
    121      -4.1449      2.00000
    122      -4.0177      2.00000
    123      -3.9934      2.00000
    124      -3.8637      2.00000
    125      -3.7132      2.00000
    126      -3.6523      2.00000
    127      -3.5842      2.00000
    128      -3.5780      2.00000
    129      -2.7192      2.00000
    130      -2.7111      2.00000
    131      -2.4530      2.00000
    132      -2.3519      2.00000
    133      -2.2734      2.00000
    134      -2.2617      2.00000
    135      -2.1477      2.00000
    136      -2.0405      2.00000
    137      -2.0204      2.00000
    138      -1.9312      2.00000
    139      -1.8812      2.00000
    140      -1.7870      2.00000
    141      -1.7527      2.00000
    142      -1.7331      2.00000
    143      -1.6470      2.00000
    144      -1.5879      2.00000
    145      -1.5077      2.00000
    146      -1.4610      2.00000
    147      -1.3864      2.00000
    148      -1.3442      2.00000
    149      -1.3296      2.00000
    150      -1.3123      2.00000
    151      -1.3093      2.00000
    152      -1.2530      2.00000
    153      -1.2422      2.00000
    154      -1.2252      2.00000
    155      -1.1526      2.00000
    156      -1.0922      2.00000
    157      -1.0883      2.00000
    158      -1.0746      2.00000
    159      -1.0023      2.00000
    160      -0.9874      2.00000
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    176      -0.2553      2.00000
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    178      -0.1332      2.00000
    179       0.1556      2.00000
    180       0.1582      2.00000
    181       0.3018      2.00000
    182       0.3362      2.00000
    183       0.4800      2.00000
    184       0.5038      2.00000
    185       5.5114      0.00000
    186       5.9098      0.00000
    187       5.9236      0.00000
    188       6.0775      0.00000
    189       6.0978      0.00000
    190       6.2021      0.00000
    191       6.5131      0.00000
    192       6.5337      0.00000
    193       6.6136      0.00000
    194       6.6427      0.00000
    195       6.8960      0.00000
    196       6.9846      0.00000
    197       7.5501      0.00000
    198       7.6854      0.00000
    199       8.1661      0.00000
    200       8.6019      0.00000
    201       8.6797      0.00000
    202       8.7091      0.00000
    203       8.9444      0.00000
    204       8.9673      0.00000
    205       9.0539      0.00000
    206       9.1122      0.00000
    207       9.2994      0.00000
    208       9.4339      0.00000
    209       9.5885      0.00000
    210       9.7555      0.00000
    211       9.8463      0.00000
    212       9.9404      0.00000
    213      10.3282      0.00000
    214      10.4172      0.00000
    215      10.5063      0.00000
    216      10.5280      0.00000
    217      10.7368      0.00000
    218      10.7659      0.00000
    219      10.8235      0.00000
    220      10.9555      0.00000
    221      10.9991      0.00000
    222      11.1136      0.00000
    223      11.1155      0.00000
    224      11.1600      0.00000
    225      11.2381      0.00000
    226      11.3393      0.00000
    227      11.3899      0.00000
    228      11.4306      0.00000
    229      11.6634      0.00000
    230      11.7246      0.00000
    231      11.8550      0.00000
    232      11.8696      0.00000
    233      11.9083      0.00000
    234      12.0486      0.00000
    235      12.1240      0.00000
    236      12.1266      0.00000
    237      12.1513      0.00000
    238      12.2312      0.00000
    239      12.2917      0.00000
    240      12.3133      0.00000
    241      12.4142      0.00000
    242      12.4178      0.00000
    243      12.4924      0.00000
    244      12.5610      0.00000
    245      12.6284      0.00000
    246      12.6758      0.00000
    247      12.7622      0.00000
    248      12.7903      0.00000
    249      12.8820      0.00000
    250      12.9277      0.00000
    251      12.9669      0.00000
    252      12.9939      0.00000
    253      13.0767      0.00000
    254      13.1540      0.00000
    255      13.2429      0.00000
    256      13.3587      0.00000

 k-point   108 :       0.1667    0.0000    0.3750
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2515      2.00000
     42     -21.2151      2.00000
     43     -21.1797      2.00000
     44     -21.1763      2.00000
     45     -20.9619      2.00000
     46     -20.9462      2.00000
     47     -20.8983      2.00000
     48     -20.8897      2.00000
     49     -19.3091      2.00000
     50     -19.2964      2.00000
     51     -19.2872      2.00000
     52     -19.2786      2.00000
     53     -18.7002      2.00000
     54     -18.6896      2.00000
     55     -18.6705      2.00000
     56     -18.6499      2.00000
     57     -18.2773      2.00000
     58     -18.2542      2.00000
     59     -18.1671      2.00000
     60     -18.1322      2.00000
     61     -18.1077      2.00000
     62     -18.1003      2.00000
     63     -18.0765      2.00000
     64     -18.0726      2.00000
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     67     -17.8577      2.00000
     68     -17.8513      2.00000
     69     -17.7951      2.00000
     70     -17.7604      2.00000
     71     -17.6652      2.00000
     72     -17.6451      2.00000
     73     -17.3062      2.00000
     74     -17.3022      2.00000
     75     -17.2900      2.00000
     76     -17.2853      2.00000
     77      -8.1036      2.00000
     78      -7.8465      2.00000
     79      -7.8197      2.00000
     80      -7.7613      2.00000
     81      -7.6510      2.00000
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     83      -7.3641      2.00000
     84      -7.3469      2.00000
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     87      -7.0540      2.00000
     88      -7.0436      2.00000
     89      -6.6363      2.00000
     90      -6.5624      2.00000
     91      -6.5541      2.00000
     92      -6.5207      2.00000
     93      -6.3071      2.00000
     94      -6.1861      2.00000
     95      -6.1543      2.00000
     96      -6.0853      2.00000
     97      -5.9395      2.00000
     98      -5.8760      2.00000
     99      -5.7214      2.00000
    100      -5.5645      2.00000
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    106      -5.3816      2.00000
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    108      -5.2347      2.00000
    109      -5.2286      2.00000
    110      -5.1181      2.00000
    111      -5.0653      2.00000
    112      -5.0313      2.00000
    113      -4.8014      2.00000
    114      -4.7598      2.00000
    115      -4.6899      2.00000
    116      -4.6843      2.00000
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    118      -4.5306      2.00000
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    122      -4.0228      2.00000
    123      -4.0079      2.00000
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    128      -3.5462      2.00000
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    131      -2.4048      2.00000
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    135      -2.1275      2.00000
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    140      -1.7932      2.00000
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    144      -1.6208      2.00000
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    148      -1.3771      2.00000
    149      -1.3250      2.00000
    150      -1.3144      2.00000
    151      -1.3024      2.00000
    152      -1.2342      2.00000
    153      -1.2316      2.00000
    154      -1.1939      2.00000
    155      -1.1372      2.00000
    156      -1.1034      2.00000
    157      -1.0888      2.00000
    158      -1.0538      2.00000
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    160      -1.0018      2.00000
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    179       0.1364      2.00000
    180       0.1776      2.00000
    181       0.2868      2.00000
    182       0.3520      2.00000
    183       0.4860      2.00000
    184       0.5058      2.00000
    185       5.6665      0.00000
    186       5.8319      0.00000
    187       5.9755      0.00000
    188       6.0799      0.00000
    189       6.1021      0.00000
    190       6.1420      0.00000
    191       6.3590      0.00000
    192       6.5242      0.00000
    193       6.5334      0.00000
    194       6.6178      0.00000
    195       6.8454      0.00000
    196       7.1924      0.00000
    197       7.4925      0.00000
    198       7.8393      0.00000
    199       8.1125      0.00000
    200       8.4915      0.00000
    201       8.7389      0.00000
    202       8.8358      0.00000
    203       8.8938      0.00000
    204       8.9411      0.00000
    205       9.0592      0.00000
    206       9.1891      0.00000
    207       9.2814      0.00000
    208       9.4815      0.00000
    209       9.5330      0.00000
    210       9.7242      0.00000
    211       9.8656      0.00000
    212       9.9125      0.00000
    213      10.3912      0.00000
    214      10.4119      0.00000
    215      10.5015      0.00000
    216      10.5567      0.00000
    217      10.7472      0.00000
    218      10.8017      0.00000
    219      10.8593      0.00000
    220      10.8887      0.00000
    221      10.9465      0.00000
    222      10.9608      0.00000
    223      11.0946      0.00000
    224      11.2261      0.00000
    225      11.2626      0.00000
    226      11.3694      0.00000
    227      11.4246      0.00000
    228      11.4314      0.00000
    229      11.6298      0.00000
    230      11.6866      0.00000
    231      11.7331      0.00000
    232      11.8114      0.00000
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    234      12.0551      0.00000
    235      12.1436      0.00000
    236      12.1728      0.00000
    237      12.1982      0.00000
    238      12.2213      0.00000
    239      12.2996      0.00000
    240      12.3134      0.00000
    241      12.4505      0.00000
    242      12.4936      0.00000
    243      12.5243      0.00000
    244      12.5598      0.00000
    245      12.6011      0.00000
    246      12.6772      0.00000
    247      12.7549      0.00000
    248      12.7679      0.00000
    249      12.8310      0.00000
    250      12.9453      0.00000
    251      13.0030      0.00000
    252      13.0687      0.00000
    253      13.1318      0.00000
    254      13.2175      0.00000
    255      13.2424      0.00000
    256      13.3680      0.00000

 k-point   109 :       0.3333    0.0000    0.3750
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2509      2.00000
     42     -21.2154      2.00000
     43     -21.1797      2.00000
     44     -21.1763      2.00000
     45     -20.9624      2.00000
     46     -20.9459      2.00000
     47     -20.8985      2.00000
     48     -20.8896      2.00000
     49     -19.3088      2.00000
     50     -19.2944      2.00000
     51     -19.2880      2.00000
     52     -19.2810      2.00000
     53     -18.6971      2.00000
     54     -18.6887      2.00000
     55     -18.6721      2.00000
     56     -18.6483      2.00000
     57     -18.2776      2.00000
     58     -18.2559      2.00000
     59     -18.1712      2.00000
     60     -18.1335      2.00000
     61     -18.1072      2.00000
     62     -18.1007      2.00000
     63     -18.0754      2.00000
     64     -18.0695      2.00000
     65     -17.8975      2.00000
     66     -17.8801      2.00000
     67     -17.8577      2.00000
     68     -17.8519      2.00000
     69     -17.7952      2.00000
     70     -17.7604      2.00000
     71     -17.6649      2.00000
     72     -17.6450      2.00000
     73     -17.3038      2.00000
     74     -17.3002      2.00000
     75     -17.2919      2.00000
     76     -17.2871      2.00000
     77      -8.1069      2.00000
     78      -7.8412      2.00000
     79      -7.7916      2.00000
     80      -7.7389      2.00000
     81      -7.6907      2.00000
     82      -7.5095      2.00000
     83      -7.3971      2.00000
     84      -7.3575      2.00000
     85      -7.1319      2.00000
     86      -7.1242      2.00000
     87      -7.0586      2.00000
     88      -7.0514      2.00000
     89      -6.6491      2.00000
     90      -6.5650      2.00000
     91      -6.5500      2.00000
     92      -6.5242      2.00000
     93      -6.3103      2.00000
     94      -6.1872      2.00000
     95      -6.1516      2.00000
     96      -6.0818      2.00000
     97      -5.9373      2.00000
     98      -5.8670      2.00000
     99      -5.6960      2.00000
    100      -5.5424      2.00000
    101      -5.5357      2.00000
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    103      -5.4847      2.00000
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    105      -5.3842      2.00000
    106      -5.3549      2.00000
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    109      -5.2015      2.00000
    110      -5.1309      2.00000
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    112      -4.9964      2.00000
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    114      -4.7766      2.00000
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    150      -1.3269      2.00000
    151      -1.3167      2.00000
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    160      -0.9968      2.00000
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    184       0.5073      2.00000
    185       5.7470      0.00000
    186       5.8092      0.00000
    187       6.0666      0.00000
    188       6.0675      0.00000
    189       6.1060      0.00000
    190       6.1245      0.00000
    191       6.1691      0.00000
    192       6.5110      0.00000
    193       6.5442      0.00000
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    195       6.8316      0.00000
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    198       8.0517      0.00000
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    200       8.2105      0.00000
    201       8.7996      0.00000
    202       8.8696      0.00000
    203       8.8884      0.00000
    204       8.9548      0.00000
    205       9.1237      0.00000
    206       9.2399      0.00000
    207       9.3363      0.00000
    208       9.4127      0.00000
    209       9.4392      0.00000
    210       9.7307      0.00000
    211       9.8972      0.00000
    212       9.9506      0.00000
    213      10.3361      0.00000
    214      10.5489      0.00000
    215      10.5506      0.00000
    216      10.6041      0.00000
    217      10.6286      0.00000
    218      10.7707      0.00000
    219      10.8399      0.00000
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    221      10.9401      0.00000
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    223      11.1231      0.00000
    224      11.2277      0.00000
    225      11.2387      0.00000
    226      11.3952      0.00000
    227      11.4525      0.00000
    228      11.4644      0.00000
    229      11.5538      0.00000
    230      11.5707      0.00000
    231      11.7107      0.00000
    232      11.7944      0.00000
    233      11.8516      0.00000
    234      11.9954      0.00000
    235      12.0068      0.00000
    236      12.1345      0.00000
    237      12.2114      0.00000
    238      12.2800      0.00000
    239      12.3609      0.00000
    240      12.3676      0.00000
    241      12.4629      0.00000
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    243      12.5341      0.00000
    244      12.5360      0.00000
    245      12.6593      0.00000
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    247      12.7369      0.00000
    248      12.7859      0.00000
    249      12.8935      0.00000
    250      12.9939      0.00000
    251      13.0578      0.00000
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    253      13.1910      0.00000
    254      13.2733      0.00000
    255      13.2865      0.00000
    256      13.3034      0.00000

 k-point   110 :       0.5000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2518      2.00000
     42     -21.2149      2.00000
     43     -21.1797      2.00000
     44     -21.1763      2.00000
     45     -20.9614      2.00000
     46     -20.9464      2.00000
     47     -20.8982      2.00000
     48     -20.8897      2.00000
     49     -19.3081      2.00000
     50     -19.2962      2.00000
     51     -19.2897      2.00000
     52     -19.2801      2.00000
     53     -18.6998      2.00000
     54     -18.6854      2.00000
     55     -18.6678      2.00000
     56     -18.6510      2.00000
     57     -18.2788      2.00000
     58     -18.2566      2.00000
     59     -18.1682      2.00000
     60     -18.1329      2.00000
     61     -18.1059      2.00000
     62     -18.1003      2.00000
     63     -18.0747      2.00000
     64     -18.0720      2.00000
     65     -17.8941      2.00000
     66     -17.8831      2.00000
     67     -17.8596      2.00000
     68     -17.8526      2.00000
     69     -17.7947      2.00000
     70     -17.7611      2.00000
     71     -17.6650      2.00000
     72     -17.6447      2.00000
     73     -17.3080      2.00000
     74     -17.3043      2.00000
     75     -17.2879      2.00000
     76     -17.2829      2.00000
     77      -8.0941      2.00000
     78      -7.8269      2.00000
     79      -7.7791      2.00000
     80      -7.7472      2.00000
     81      -7.6951      2.00000
     82      -7.5452      2.00000
     83      -7.3909      2.00000
     84      -7.3899      2.00000
     85      -7.1284      2.00000
     86      -7.1055      2.00000
     87      -7.0644      2.00000
     88      -7.0567      2.00000
     89      -6.6292      2.00000
     90      -6.5584      2.00000
     91      -6.5536      2.00000
     92      -6.5325      2.00000
     93      -6.3125      2.00000
     94      -6.1855      2.00000
     95      -6.1501      2.00000
     96      -6.0765      2.00000
     97      -5.9206      2.00000
     98      -5.8607      2.00000
     99      -5.6956      2.00000
    100      -5.5472      2.00000
    101      -5.5208      2.00000
    102      -5.5158      2.00000
    103      -5.4925      2.00000
    104      -5.4157      2.00000
    105      -5.4059      2.00000
    106      -5.3416      2.00000
    107      -5.3301      2.00000
    108      -5.2254      2.00000
    109      -5.2133      2.00000
    110      -5.1305      2.00000
    111      -5.0075      2.00000
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    113      -4.8743      2.00000
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    115      -4.7800      2.00000
    116      -4.7147      2.00000
    117      -4.5690      2.00000
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    119      -4.4713      2.00000
    120      -4.4008      2.00000
    121      -4.0935      2.00000
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    123      -3.9737      2.00000
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    153      -1.2040      2.00000
    154      -1.1548      2.00000
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    157      -1.1040      2.00000
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    160      -0.9965      2.00000
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    184       0.5067      2.00000
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    186       5.8734      0.00000
    187       5.9299      0.00000
    188       6.0470      0.00000
    189       6.1034      0.00000
    190       6.1366      0.00000
    191       6.4561      0.00000
    192       6.5143      0.00000
    193       6.5617      0.00000
    194       6.6170      0.00000
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    196       7.1386      0.00000
    197       7.5232      0.00000
    198       7.8280      0.00000
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    200       8.4730      0.00000
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    203       8.9200      0.00000
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    205       9.0624      0.00000
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    208       9.3471      0.00000
    209       9.4677      0.00000
    210       9.8939      0.00000
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    212      10.0705      0.00000
    213      10.2416      0.00000
    214      10.4042      0.00000
    215      10.4895      0.00000
    216      10.5063      0.00000
    217      10.7495      0.00000
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    225      11.2252      0.00000
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    236      12.1306      0.00000
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    238      12.2271      0.00000
    239      12.3010      0.00000
    240      12.3353      0.00000
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    244      12.5880      0.00000
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    255      13.3033      0.00000
    256      13.4236      0.00000

 k-point   111 :      -0.3333    0.0000    0.3750
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2532      2.00000
     42     -21.2142      2.00000
     43     -21.1796      2.00000
     44     -21.1764      2.00000
     45     -20.9599      2.00000
     46     -20.9472      2.00000
     47     -20.8979      2.00000
     48     -20.8897      2.00000
     49     -19.3078      2.00000
     50     -19.2992      2.00000
     51     -19.2906      2.00000
     52     -19.2775      2.00000
     53     -18.7043      2.00000
     54     -18.6822      2.00000
     55     -18.6634      2.00000
     56     -18.6560      2.00000
     57     -18.2794      2.00000
     58     -18.2555      2.00000
     59     -18.1615      2.00000
     60     -18.1311      2.00000
     61     -18.1047      2.00000
     62     -18.0996      2.00000
     63     -18.0772      2.00000
     64     -18.0751      2.00000
     65     -17.8894      2.00000
     66     -17.8877      2.00000
     67     -17.8612      2.00000
     68     -17.8529      2.00000
     69     -17.7941      2.00000
     70     -17.7617      2.00000
     71     -17.6654      2.00000
     72     -17.6444      2.00000
     73     -17.3122      2.00000
     74     -17.3084      2.00000
     75     -17.2841      2.00000
     76     -17.2791      2.00000
     77      -8.0761      2.00000
     78      -7.8166      2.00000
     79      -7.7978      2.00000
     80      -7.7784      2.00000
     81      -7.6556      2.00000
     82      -7.5928      2.00000
     83      -7.4149      2.00000
     84      -7.3494      2.00000
     85      -7.1341      2.00000
     86      -7.0937      2.00000
     87      -7.0669      2.00000
     88      -7.0603      2.00000
     89      -6.6007      2.00000
     90      -6.5802      2.00000
     91      -6.5372      2.00000
     92      -6.5291      2.00000
     93      -6.3130      2.00000
     94      -6.1840      2.00000
     95      -6.1485      2.00000
     96      -6.0729      2.00000
     97      -5.9047      2.00000
     98      -5.8713      2.00000
     99      -5.7062      2.00000
    100      -5.5447      2.00000
    101      -5.5391      2.00000
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    106      -5.3590      2.00000
    107      -5.3268      2.00000
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    110      -5.1324      2.00000
    111      -5.0404      2.00000
    112      -4.9711      2.00000
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    184       0.5049      2.00000
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    187       5.9841      0.00000
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    189       6.0991      0.00000
    190       6.1791      0.00000
    191       6.5170      0.00000
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    212      10.0135      0.00000
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    225      11.2570      0.00000
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    227      11.4522      0.00000
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    230      11.6247      0.00000
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    256      13.3559      0.00000

 k-point   112 :      -0.1667    0.0000    0.3750
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2538      2.00000
     42     -21.2140      2.00000
     43     -21.1795      2.00000
     44     -21.1763      2.00000
     45     -20.9593      2.00000
     46     -20.9476      2.00000
     47     -20.8977      2.00000
     48     -20.8898      2.00000
     49     -19.3082      2.00000
     50     -19.3005      2.00000
     51     -19.2898      2.00000
     52     -19.2758      2.00000
     53     -18.7066      2.00000
     54     -18.6831      2.00000
     55     -18.6628      2.00000
     56     -18.6577      2.00000
     57     -18.2789      2.00000
     58     -18.2538      2.00000
     59     -18.1576      2.00000
     60     -18.1299      2.00000
     61     -18.1047      2.00000
     62     -18.0991      2.00000
     63     -18.0804      2.00000
     64     -18.0766      2.00000
     65     -17.8892      2.00000
     66     -17.8881      2.00000
     67     -17.8612      2.00000
     68     -17.8522      2.00000
     69     -17.7940      2.00000
     70     -17.7616      2.00000
     71     -17.6657      2.00000
     72     -17.6444      2.00000
     73     -17.3134      2.00000
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     77      -8.0718      2.00000
     78      -7.8236      2.00000
     79      -7.8228      2.00000
     80      -7.7902      2.00000
     81      -7.6257      2.00000
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     83      -7.4045      2.00000
     84      -7.3179      2.00000
     85      -7.1426      2.00000
     86      -7.1081      2.00000
     87      -7.0643      2.00000
     88      -7.0499      2.00000
     89      -6.5920      2.00000
     90      -6.5918      2.00000
     91      -6.5369      2.00000
     92      -6.5140      2.00000
     93      -6.3105      2.00000
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     95      -6.1489      2.00000
     96      -6.0758      2.00000
     97      -5.9045      2.00000
     98      -5.8888      2.00000
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    182       0.3319      2.00000
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    188       6.0574      0.00000
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    190       6.2398      0.00000
    191       6.5229      0.00000
    192       6.5911      0.00000
    193       6.6657      0.00000
    194       6.6852      0.00000
    195       6.7582      0.00000
    196       6.9561      0.00000
    197       7.6463      0.00000
    198       7.7777      0.00000
    199       7.9232      0.00000
    200       8.5822      0.00000
    201       8.6775      0.00000
    202       8.7942      0.00000
    203       8.8615      0.00000
    204       8.9844      0.00000
    205       9.0778      0.00000
    206       9.1766      0.00000
    207       9.2635      0.00000
    208       9.3782      0.00000
    209       9.5531      0.00000
    210       9.7816      0.00000
    211       9.8928      0.00000
    212       9.9896      0.00000
    213      10.3657      0.00000
    214      10.4471      0.00000
    215      10.5020      0.00000
    216      10.5436      0.00000
    217      10.6402      0.00000
    218      10.7010      0.00000
    219      10.8218      0.00000
    220      10.9744      0.00000
    221      11.0320      0.00000
    222      11.0830      0.00000
    223      11.1504      0.00000
    224      11.2293      0.00000
    225      11.2796      0.00000
    226      11.3192      0.00000
    227      11.4237      0.00000
    228      11.4764      0.00000
    229      11.6014      0.00000
    230      11.6225      0.00000
    231      11.7533      0.00000
    232      11.8947      0.00000
    233      11.9677      0.00000
    234      12.0299      0.00000
    235      12.0790      0.00000
    236      12.0928      0.00000
    237      12.1618      0.00000
    238      12.1740      0.00000
    239      12.2587      0.00000
    240      12.3489      0.00000
    241      12.4281      0.00000
    242      12.4297      0.00000
    243      12.5065      0.00000
    244      12.5547      0.00000
    245      12.6604      0.00000
    246      12.7311      0.00000
    247      12.7558      0.00000
    248      12.7763      0.00000
    249      12.7996      0.00000
    250      12.9252      0.00000
    251      12.9777      0.00000
    252      13.0521      0.00000
    253      13.1347      0.00000
    254      13.1881      0.00000
    255      13.2770      0.00000
    256      13.3099      0.00000

 k-point   113 :      -0.0000    0.1429    0.3750
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2498      2.00000
     42     -21.2122      2.00000
     43     -21.1854      2.00000
     44     -21.1761      2.00000
     45     -20.9574      2.00000
     46     -20.9444      2.00000
     47     -20.9011      2.00000
     48     -20.8926      2.00000
     49     -19.3081      2.00000
     50     -19.2980      2.00000
     51     -19.2892      2.00000
     52     -19.2771      2.00000
     53     -18.7027      2.00000
     54     -18.6855      2.00000
     55     -18.6673      2.00000
     56     -18.6555      2.00000
     57     -18.2717      2.00000
     58     -18.2480      2.00000
     59     -18.1619      2.00000
     60     -18.1381      2.00000
     61     -18.1092      2.00000
     62     -18.1015      2.00000
     63     -18.0779      2.00000
     64     -18.0754      2.00000
     65     -17.8906      2.00000
     66     -17.8851      2.00000
     67     -17.8617      2.00000
     68     -17.8533      2.00000
     69     -17.7884      2.00000
     70     -17.7543      2.00000
     71     -17.6722      2.00000
     72     -17.6500      2.00000
     73     -17.3092      2.00000
     74     -17.3054      2.00000
     75     -17.2866      2.00000
     76     -17.2817      2.00000
     77      -8.0720      2.00000
     78      -7.8434      2.00000
     79      -7.8139      2.00000
     80      -7.7710      2.00000
     81      -7.6363      2.00000
     82      -7.5613      2.00000
     83      -7.3968      2.00000
     84      -7.3476      2.00000
     85      -7.1403      2.00000
     86      -7.1163      2.00000
     87      -7.0603      2.00000
     88      -7.0419      2.00000
     89      -6.6051      2.00000
     90      -6.5816      2.00000
     91      -6.5346      2.00000
     92      -6.5288      2.00000
     93      -6.3065      2.00000
     94      -6.1862      2.00000
     95      -6.1668      2.00000
     96      -6.0960      2.00000
     97      -5.9171      2.00000
     98      -5.8815      2.00000
     99      -5.7175      2.00000
    100      -5.6042      2.00000
    101      -5.5605      2.00000
    102      -5.5035      2.00000
    103      -5.4323      2.00000
    104      -5.4195      2.00000
    105      -5.3902      2.00000
    106      -5.3638      2.00000
    107      -5.3226      2.00000
    108      -5.2756      2.00000
    109      -5.1971      2.00000
    110      -5.1364      2.00000
    111      -5.0842      2.00000
    112      -5.0313      2.00000
    113      -4.7775      2.00000
    114      -4.7138      2.00000
    115      -4.7083      2.00000
    116      -4.6770      2.00000
    117      -4.5810      2.00000
    118      -4.5466      2.00000
    119      -4.4740      2.00000
    120      -4.4426      2.00000
    121      -4.1412      2.00000
    122      -4.0359      2.00000
    123      -3.9764      2.00000
    124      -3.8687      2.00000
    125      -3.6976      2.00000
    126      -3.6386      2.00000
    127      -3.5853      2.00000
    128      -3.5753      2.00000
    129      -2.6977      2.00000
    130      -2.6736      2.00000
    131      -2.4355      2.00000
    132      -2.3483      2.00000
    133      -2.2812      2.00000
    134      -2.2569      2.00000
    135      -2.1423      2.00000
    136      -2.0353      2.00000
    137      -2.0297      2.00000
    138      -1.9243      2.00000
    139      -1.8791      2.00000
    140      -1.8008      2.00000
    141      -1.7638      2.00000
    142      -1.7442      2.00000
    143      -1.6471      2.00000
    144      -1.5976      2.00000
    145      -1.5026      2.00000
    146      -1.4532      2.00000
    147      -1.4001      2.00000
    148      -1.3582      2.00000
    149      -1.3422      2.00000
    150      -1.3397      2.00000
    151      -1.3057      2.00000
    152      -1.2582      2.00000
    153      -1.2380      2.00000
    154      -1.2076      2.00000
    155      -1.1581      2.00000
    156      -1.1155      2.00000
    157      -1.0808      2.00000
    158      -1.0691      2.00000
    159      -1.0145      2.00000
    160      -0.9947      2.00000
    161      -0.9193      2.00000
    162      -0.9019      2.00000
    163      -0.8235      2.00000
    164      -0.8071      2.00000
    165      -0.7910      2.00000
    166      -0.7560      2.00000
    167      -0.7012      2.00000
    168      -0.6803      2.00000
    169      -0.6468      2.00000
    170      -0.5967      2.00000
    171      -0.5879      2.00000
    172      -0.5666      2.00000
    173      -0.5226      2.00000
    174      -0.4780      2.00000
    175      -0.3563      2.00000
    176      -0.2568      2.00000
    177      -0.2296      2.00000
    178      -0.1185      2.00000
    179       0.1333      2.00000
    180       0.1479      2.00000
    181       0.3081      2.00000
    182       0.3429      2.00000
    183       0.4728      2.00000
    184       0.4969      2.00000
    185       5.5595      0.00000
    186       5.9115      0.00000
    187       5.9440      0.00000
    188       6.0767      0.00000
    189       6.0972      0.00000
    190       6.2141      0.00000
    191       6.5257      0.00000
    192       6.5512      0.00000
    193       6.5930      0.00000
    194       6.6245      0.00000
    195       6.8833      0.00000
    196       6.9843      0.00000
    197       7.4427      0.00000
    198       7.6673      0.00000
    199       8.1339      0.00000
    200       8.4415      0.00000
    201       8.6615      0.00000
    202       8.7760      0.00000
    203       8.9419      0.00000
    204       9.0665      0.00000
    205       9.1294      0.00000
    206       9.1656      0.00000
    207       9.3363      0.00000
    208       9.4505      0.00000
    209       9.6763      0.00000
    210       9.7421      0.00000
    211       9.8546      0.00000
    212       9.9613      0.00000
    213      10.3512      0.00000
    214      10.4413      0.00000
    215      10.4966      0.00000
    216      10.5222      0.00000
    217      10.6760      0.00000
    218      10.7720      0.00000
    219      10.7947      0.00000
    220      10.9664      0.00000
    221      10.9950      0.00000
    222      11.0824      0.00000
    223      11.1473      0.00000
    224      11.1702      0.00000
    225      11.2101      0.00000
    226      11.3118      0.00000
    227      11.3321      0.00000
    228      11.3869      0.00000
    229      11.6432      0.00000
    230      11.7647      0.00000
    231      11.7911      0.00000
    232      11.8827      0.00000
    233      11.8998      0.00000
    234      12.0315      0.00000
    235      12.0765      0.00000
    236      12.1544      0.00000
    237      12.1579      0.00000
    238      12.2575      0.00000
    239      12.2741      0.00000
    240      12.2966      0.00000
    241      12.4107      0.00000
    242      12.4553      0.00000
    243      12.4863      0.00000
    244      12.5541      0.00000
    245      12.6109      0.00000
    246      12.7038      0.00000
    247      12.7508      0.00000
    248      12.8004      0.00000
    249      12.8280      0.00000
    250      12.9748      0.00000
    251      12.9917      0.00000
    252      13.0183      0.00000
    253      13.0925      0.00000
    254      13.1509      0.00000
    255      13.2481      0.00000
    256      13.3314      0.00000

 k-point   114 :       0.1667    0.1429    0.3750
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2485      2.00000
     42     -21.2129      2.00000
     43     -21.1853      2.00000
     44     -21.1762      2.00000
     45     -20.9589      2.00000
     46     -20.9436      2.00000
     47     -20.9015      2.00000
     48     -20.8925      2.00000
     49     -19.3082      2.00000
     50     -19.2954      2.00000
     51     -19.2885      2.00000
     52     -19.2792      2.00000
     53     -18.6984      2.00000
     54     -18.6876      2.00000
     55     -18.6714      2.00000
     56     -18.6516      2.00000
     57     -18.2713      2.00000
     58     -18.2488      2.00000
     59     -18.1685      2.00000
     60     -18.1393      2.00000
     61     -18.1104      2.00000
     62     -18.1030      2.00000
     63     -18.0758      2.00000
     64     -18.0716      2.00000
     65     -17.8950      2.00000
     66     -17.8813      2.00000
     67     -17.8598      2.00000
     68     -17.8528      2.00000
     69     -17.7887      2.00000
     70     -17.7540      2.00000
     71     -17.6717      2.00000
     72     -17.6504      2.00000
     73     -17.3049      2.00000
     74     -17.3011      2.00000
     75     -17.2903      2.00000
     76     -17.2859      2.00000
     77      -8.0887      2.00000
     78      -7.8497      2.00000
     79      -7.8041      2.00000
     80      -7.7500      2.00000
     81      -7.6516      2.00000
     82      -7.5250      2.00000
     83      -7.3863      2.00000
     84      -7.3725      2.00000
     85      -7.1401      2.00000
     86      -7.1179      2.00000
     87      -7.0588      2.00000
     88      -7.0429      2.00000
     89      -6.6339      2.00000
     90      -6.5670      2.00000
     91      -6.5531      2.00000
     92      -6.5222      2.00000
     93      -6.3042      2.00000
     94      -6.1926      2.00000
     95      -6.1681      2.00000
     96      -6.0965      2.00000
     97      -5.9308      2.00000
     98      -5.8689      2.00000
     99      -5.7230      2.00000
    100      -5.5807      2.00000
    101      -5.5579      2.00000
    102      -5.4976      2.00000
    103      -5.4503      2.00000
    104      -5.4164      2.00000
    105      -5.3758      2.00000
    106      -5.3590      2.00000
    107      -5.3263      2.00000
    108      -5.2336      2.00000
    109      -5.2242      2.00000
    110      -5.1259      2.00000
    111      -5.0745      2.00000
    112      -5.0459      2.00000
    113      -4.7970      2.00000
    114      -4.7611      2.00000
    115      -4.6883      2.00000
    116      -4.6826      2.00000
    117      -4.6083      2.00000
    118      -4.5314      2.00000
    119      -4.4938      2.00000
    120      -4.4087      2.00000
    121      -4.1109      2.00000
    122      -4.0375      2.00000
    123      -3.9918      2.00000
    124      -3.8638      2.00000
    125      -3.6716      2.00000
    126      -3.6539      2.00000
    127      -3.6165      2.00000
    128      -3.5464      2.00000
    129      -2.7013      2.00000
    130      -2.6681      2.00000
    131      -2.3957      2.00000
    132      -2.3738      2.00000
    133      -2.3202      2.00000
    134      -2.2511      2.00000
    135      -2.1236      2.00000
    136      -2.0238      2.00000
    137      -1.9875      2.00000
    138      -1.9327      2.00000
    139      -1.9083      2.00000
    140      -1.8006      2.00000
    141      -1.7630      2.00000
    142      -1.7238      2.00000
    143      -1.6557      2.00000
    144      -1.6280      2.00000
    145      -1.4931      2.00000
    146      -1.4615      2.00000
    147      -1.4223      2.00000
    148      -1.3809      2.00000
    149      -1.3535      2.00000
    150      -1.3196      2.00000
    151      -1.3004      2.00000
    152      -1.2363      2.00000
    153      -1.2293      2.00000
    154      -1.1937      2.00000
    155      -1.1479      2.00000
    156      -1.1287      2.00000
    157      -1.0746      2.00000
    158      -1.0599      2.00000
    159      -1.0337      2.00000
    160      -0.9891      2.00000
    161      -0.9517      2.00000
    162      -0.8966      2.00000
    163      -0.8296      2.00000
    164      -0.8097      2.00000
    165      -0.7834      2.00000
    166      -0.7536      2.00000
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    168      -0.6762      2.00000
    169      -0.6459      2.00000
    170      -0.6166      2.00000
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    172      -0.5670      2.00000
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    174      -0.4631      2.00000
    175      -0.3493      2.00000
    176      -0.2532      2.00000
    177      -0.2261      2.00000
    178      -0.1242      2.00000
    179       0.1193      2.00000
    180       0.1619      2.00000
    181       0.2958      2.00000
    182       0.3570      2.00000
    183       0.4781      2.00000
    184       0.4992      2.00000
    185       5.7047      0.00000
    186       5.8528      0.00000
    187       5.9930      0.00000
    188       6.0814      0.00000
    189       6.0950      0.00000
    190       6.1549      0.00000
    191       6.3728      0.00000
    192       6.5362      0.00000
    193       6.5538      0.00000
    194       6.5976      0.00000
    195       6.8320      0.00000
    196       7.1510      0.00000
    197       7.4018      0.00000
    198       7.7204      0.00000
    199       8.0819      0.00000
    200       8.4931      0.00000
    201       8.7691      0.00000
    202       8.8969      0.00000
    203       8.9126      0.00000
    204       8.9848      0.00000
    205       9.1141      0.00000
    206       9.1770      0.00000
    207       9.3538      0.00000
    208       9.4568      0.00000
    209       9.6258      0.00000
    210       9.6900      0.00000
    211       9.8718      0.00000
    212       9.9498      0.00000
    213      10.3697      0.00000
    214      10.4561      0.00000
    215      10.4655      0.00000
    216      10.5742      0.00000
    217      10.7039      0.00000
    218      10.8472      0.00000
    219      10.8583      0.00000
    220      10.8848      0.00000
    221      10.9594      0.00000
    222      10.9777      0.00000
    223      11.0731      0.00000
    224      11.1558      0.00000
    225      11.2142      0.00000
    226      11.3130      0.00000
    227      11.3778      0.00000
    228      11.4509      0.00000
    229      11.6117      0.00000
    230      11.6815      0.00000
    231      11.7475      0.00000
    232      11.7747      0.00000
    233      11.8849      0.00000
    234      12.0353      0.00000
    235      12.1049      0.00000
    236      12.1652      0.00000
    237      12.2005      0.00000
    238      12.2503      0.00000
    239      12.3028      0.00000
    240      12.3308      0.00000
    241      12.4239      0.00000
    242      12.4898      0.00000
    243      12.5419      0.00000
    244      12.5924      0.00000
    245      12.6152      0.00000
    246      12.6839      0.00000
    247      12.7231      0.00000
    248      12.8144      0.00000
    249      12.8338      0.00000
    250      12.9436      0.00000
    251      12.9893      0.00000
    252      13.0945      0.00000
    253      13.1377      0.00000
    254      13.2021      0.00000
    255      13.2390      0.00000
    256      13.3360      0.00000

 k-point   115 :       0.3333    0.1429    0.3750
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2479      2.00000
     42     -21.2131      2.00000
     43     -21.1854      2.00000
     44     -21.1762      2.00000
     45     -20.9594      2.00000
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     51     -19.2893      2.00000
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     53     -18.6956      2.00000
     54     -18.6864      2.00000
     55     -18.6729      2.00000
     56     -18.6502      2.00000
     57     -18.2717      2.00000
     58     -18.2501      2.00000
     59     -18.1727      2.00000
     60     -18.1403      2.00000
     61     -18.1100      2.00000
     62     -18.1033      2.00000
     63     -18.0746      2.00000
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     67     -17.8597      2.00000
     68     -17.8528      2.00000
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     70     -17.7541      2.00000
     71     -17.6714      2.00000
     72     -17.6504      2.00000
     73     -17.3029      2.00000
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     75     -17.2920      2.00000
     76     -17.2876      2.00000
     77      -8.0917      2.00000
     78      -7.8417      2.00000
     79      -7.7791      2.00000
     80      -7.7261      2.00000
     81      -7.6897      2.00000
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     83      -7.4188      2.00000
     84      -7.3780      2.00000
     85      -7.1417      2.00000
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     89      -6.6465      2.00000
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     93      -6.3040      2.00000
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     95      -6.1664      2.00000
     96      -6.0921      2.00000
     97      -5.9271      2.00000
     98      -5.8564      2.00000
     99      -5.7056      2.00000
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    110      -5.1391      2.00000
    111      -5.0608      2.00000
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    113      -4.8533      2.00000
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    115      -4.7383      2.00000
    116      -4.7058      2.00000
    117      -4.6004      2.00000
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    120      -4.3985      2.00000
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    123      -3.9929      2.00000
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    182       0.3670      2.00000
    183       0.4808      2.00000
    184       0.5009      2.00000
    185       5.7754      0.00000
    186       5.8340      0.00000
    187       6.0658      0.00000
    188       6.0935      0.00000
    189       6.0978      0.00000
    190       6.1371      0.00000
    191       6.1934      0.00000
    192       6.5264      0.00000
    193       6.5603      0.00000
    194       6.5859      0.00000
    195       6.8178      0.00000
    196       7.2016      0.00000
    197       7.4314      0.00000
    198       7.7135      0.00000
    199       8.1750      0.00000
    200       8.3277      0.00000
    201       8.7998      0.00000
    202       8.8920      0.00000
    203       8.9462      0.00000
    204       9.0766      0.00000
    205       9.1313      0.00000
    206       9.2112      0.00000
    207       9.2789      0.00000
    208       9.4050      0.00000
    209       9.5978      0.00000
    210       9.7011      0.00000
    211       9.9175      0.00000
    212       9.9967      0.00000
    213      10.3279      0.00000
    214      10.4982      0.00000
    215      10.5869      0.00000
    216      10.6135      0.00000
    217      10.6344      0.00000
    218      10.7951      0.00000
    219      10.7992      0.00000
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    223      11.0771      0.00000
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    225      11.2038      0.00000
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    227      11.4047      0.00000
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    230      11.5674      0.00000
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    238      12.2893      0.00000
    239      12.3185      0.00000
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    253      13.1635      0.00000
    254      13.2539      0.00000
    255      13.2869      0.00000
    256      13.3255      0.00000

 k-point   116 :       0.5000    0.1429    0.3750
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2487      2.00000
     42     -21.2127      2.00000
     43     -21.1854      2.00000
     44     -21.1762      2.00000
     45     -20.9585      2.00000
     46     -20.9438      2.00000
     47     -20.9014      2.00000
     48     -20.8925      2.00000
     49     -19.3074      2.00000
     50     -19.2953      2.00000
     51     -19.2906      2.00000
     52     -19.2807      2.00000
     53     -18.6979      2.00000
     54     -18.6837      2.00000
     55     -18.6688      2.00000
     56     -18.6526      2.00000
     57     -18.2725      2.00000
     58     -18.2509      2.00000
     59     -18.1700      2.00000
     60     -18.1401      2.00000
     61     -18.1090      2.00000
     62     -18.1022      2.00000
     63     -18.0742      2.00000
     64     -18.0714      2.00000
     65     -17.8934      2.00000
     66     -17.8831      2.00000
     67     -17.8618      2.00000
     68     -17.8533      2.00000
     69     -17.7887      2.00000
     70     -17.7545      2.00000
     71     -17.6715      2.00000
     72     -17.6500      2.00000
     73     -17.3065      2.00000
     74     -17.3030      2.00000
     75     -17.2884      2.00000
     76     -17.2837      2.00000
     77      -8.0789      2.00000
     78      -7.8231      2.00000
     79      -7.7694      2.00000
     80      -7.7362      2.00000
     81      -7.6951      2.00000
     82      -7.5482      2.00000
     83      -7.4154      2.00000
     84      -7.4031      2.00000
     85      -7.1333      2.00000
     86      -7.1105      2.00000
     87      -7.0597      2.00000
     88      -7.0477      2.00000
     89      -6.6267      2.00000
     90      -6.5650      2.00000
     91      -6.5520      2.00000
     92      -6.5346      2.00000
     93      -6.3054      2.00000
     94      -6.1877      2.00000
     95      -6.1643      2.00000
     96      -6.0878      2.00000
     97      -5.9106      2.00000
     98      -5.8487      2.00000
     99      -5.7039      2.00000
    100      -5.5989      2.00000
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    190       6.1435      0.00000
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    212      10.1003      0.00000
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    225      11.2456      0.00000
    226      11.3117      0.00000
    227      11.3905      0.00000
    228      11.4880      0.00000
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    230      11.6383      0.00000
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    232      11.7622      0.00000
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    236      12.1215      0.00000
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    240      12.3337      0.00000
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    244      12.5744      0.00000
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    250      13.0094      0.00000
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    253      13.1767      0.00000
    254      13.2151      0.00000
    255      13.2921      0.00000
    256      13.3772      0.00000

 k-point   117 :      -0.3333    0.1429    0.3750
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2501      2.00000
     42     -21.2120      2.00000
     43     -21.1854      2.00000
     44     -21.1762      2.00000
     45     -20.9570      2.00000
     46     -20.9446      2.00000
     47     -20.9010      2.00000
     48     -20.8926      2.00000
     49     -19.3072      2.00000
     50     -19.2979      2.00000
     51     -19.2916      2.00000
     52     -19.2784      2.00000
     53     -18.7021      2.00000
     54     -18.6807      2.00000
     55     -18.6653      2.00000
     56     -18.6568      2.00000
     57     -18.2728      2.00000
     58     -18.2500      2.00000
     59     -18.1637      2.00000
     60     -18.1390      2.00000
     61     -18.1077      2.00000
     62     -18.1009      2.00000
     63     -18.0767      2.00000
     64     -18.0742      2.00000
     65     -17.8890      2.00000
     66     -17.8869      2.00000
     67     -17.8637      2.00000
     68     -17.8538      2.00000
     69     -17.7885      2.00000
     70     -17.7549      2.00000
     71     -17.6720      2.00000
     72     -17.6497      2.00000
     73     -17.3102      2.00000
     74     -17.3066      2.00000
     75     -17.2852      2.00000
     76     -17.2801      2.00000
     77      -8.0612      2.00000
     78      -7.8084      2.00000
     79      -7.7908      2.00000
     80      -7.7662      2.00000
     81      -7.6677      2.00000
     82      -7.5861      2.00000
     83      -7.4340      2.00000
     84      -7.3676      2.00000
     85      -7.1377      2.00000
     86      -7.1027      2.00000
     87      -7.0599      2.00000
     88      -7.0514      2.00000
     89      -6.5985      2.00000
     90      -6.5794      2.00000
     91      -6.5408      2.00000
     92      -6.5346      2.00000
     93      -6.3077      2.00000
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     95      -6.1621      2.00000
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     97      -5.8969      2.00000
     98      -5.8606      2.00000
     99      -5.7049      2.00000
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    106      -5.3526      2.00000
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    110      -5.1339      2.00000
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    123      -3.9583      2.00000
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    150      -1.3483      2.00000
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    190       6.1864      0.00000
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    192       6.5818      0.00000
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    198       7.6927      0.00000
    199       8.0643      0.00000
    200       8.4247      0.00000
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    203       8.9958      0.00000
    204       9.0523      0.00000
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    206       9.1818      0.00000
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    211       9.9541      0.00000
    212      10.0702      0.00000
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    215      10.4498      0.00000
    216      10.5004      0.00000
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    218      10.7298      0.00000
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    225      11.2103      0.00000
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    255      13.3176      0.00000
    256      13.3454      0.00000

 k-point   118 :      -0.1667    0.1429    0.3750
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2506      2.00000
     42     -21.2118      2.00000
     43     -21.1854      2.00000
     44     -21.1761      2.00000
     45     -20.9564      2.00000
     46     -20.9449      2.00000
     47     -20.9008      2.00000
     48     -20.8927      2.00000
     49     -19.3076      2.00000
     50     -19.2989      2.00000
     51     -19.2908      2.00000
     52     -19.2769      2.00000
     53     -18.7042      2.00000
     54     -18.6815      2.00000
     55     -18.6651      2.00000
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     57     -18.2724      2.00000
     58     -18.2485      2.00000
     59     -18.1599      2.00000
     60     -18.1379      2.00000
     61     -18.1075      2.00000
     62     -18.1004      2.00000
     63     -18.0794      2.00000
     64     -18.0756      2.00000
     65     -17.8884      2.00000
     66     -17.8873      2.00000
     67     -17.8636      2.00000
     68     -17.8538      2.00000
     69     -17.7883      2.00000
     70     -17.7548      2.00000
     71     -17.6723      2.00000
     72     -17.6497      2.00000
     73     -17.3113      2.00000
     74     -17.3076      2.00000
     75     -17.2845      2.00000
     76     -17.2793      2.00000
     77      -8.0573      2.00000
     78      -7.8247      2.00000
     79      -7.8061      2.00000
     80      -7.7774      2.00000
     81      -7.6523      2.00000
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     83      -7.4264      2.00000
     84      -7.3382      2.00000
     85      -7.1447      2.00000
     86      -7.0959      2.00000
     87      -7.0710      2.00000
     88      -7.0442      2.00000
     89      -6.5923      2.00000
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     99      -5.7001      2.00000
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    256      13.3129      0.00000

 k-point   119 :      -0.0000    0.2857    0.3750
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2409      2.00000
     42     -21.2062      2.00000
     43     -21.1971      2.00000
     44     -21.1800      2.00000
     45     -20.9491      2.00000
     46     -20.9370      2.00000
     47     -20.9097      2.00000
     48     -20.9007      2.00000
     49     -19.3056      2.00000
     50     -19.2953      2.00000
     51     -19.2915      2.00000
     52     -19.2799      2.00000
     53     -18.6966      2.00000
     54     -18.6814      2.00000
     55     -18.6709      2.00000
     56     -18.6593      2.00000
     57     -18.2543      2.00000
     58     -18.2342      2.00000
     59     -18.1693      2.00000
     60     -18.1575      2.00000
     61     -18.1138      2.00000
     62     -18.1069      2.00000
     63     -18.0759      2.00000
     64     -18.0733      2.00000
     65     -17.8883      2.00000
     66     -17.8834      2.00000
     67     -17.8657      2.00000
     68     -17.8583      2.00000
     69     -17.7713      2.00000
     70     -17.7376      2.00000
     71     -17.6898      2.00000
     72     -17.6649      2.00000
     73     -17.3046      2.00000
     74     -17.3010      2.00000
     75     -17.2893      2.00000
     76     -17.2844      2.00000
     77      -8.0310      2.00000
     78      -7.8619      2.00000
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     80      -7.7416      2.00000
     81      -7.6443      2.00000
     82      -7.5471      2.00000
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     84      -7.4018      2.00000
     85      -7.1223      2.00000
     86      -7.0916      2.00000
     87      -7.0699      2.00000
     88      -7.0454      2.00000
     89      -6.5991      2.00000
     90      -6.5800      2.00000
     91      -6.5440      2.00000
     92      -6.5356      2.00000
     93      -6.2994      2.00000
     94      -6.2070      2.00000
     95      -6.1836      2.00000
     96      -6.1280      2.00000
     97      -5.9003      2.00000
     98      -5.8681      2.00000
     99      -5.7084      2.00000
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    172      -0.5809      2.00000
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    175      -0.3427      2.00000
    176      -0.2731      2.00000
    177      -0.1750      2.00000
    178      -0.0776      2.00000
    179       0.0778      2.00000
    180       0.1102      2.00000
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    182       0.3601      2.00000
    183       0.4543      2.00000
    184       0.4779      2.00000
    185       5.6937      0.00000
    186       5.9264      0.00000
    187       5.9765      0.00000
    188       6.0790      0.00000
    189       6.0956      0.00000
    190       6.2426      0.00000
    191       6.4739      0.00000
    192       6.5534      0.00000
    193       6.5804      0.00000
    194       6.6358      0.00000
    195       6.8392      0.00000
    196       6.9659      0.00000
    197       7.3497      0.00000
    198       7.5844      0.00000
    199       8.0072      0.00000
    200       8.2015      0.00000
    201       8.6824      0.00000
    202       8.8518      0.00000
    203       9.0014      0.00000
    204       9.0938      0.00000
    205       9.2509      0.00000
    206       9.2908      0.00000
    207       9.4084      0.00000
    208       9.5714      0.00000
    209       9.7966      0.00000
    210       9.8228      0.00000
    211       9.8776      0.00000
    212      10.0462      0.00000
    213      10.2892      0.00000
    214      10.4655      0.00000
    215      10.4944      0.00000
    216      10.5480      0.00000
    217      10.5809      0.00000
    218      10.7156      0.00000
    219      10.8638      0.00000
    220      10.9200      0.00000
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    223      11.1046      0.00000
    224      11.1713      0.00000
    225      11.2117      0.00000
    226      11.2430      0.00000
    227      11.2912      0.00000
    228      11.2969      0.00000
    229      11.5861      0.00000
    230      11.6397      0.00000
    231      11.8057      0.00000
    232      11.8529      0.00000
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    234      12.0064      0.00000
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    236      12.1144      0.00000
    237      12.1661      0.00000
    238      12.2373      0.00000
    239      12.3064      0.00000
    240      12.3424      0.00000
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    244      12.5462      0.00000
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    255      13.2678      0.00000
    256      13.2824      0.00000

 k-point   120 :       0.1667    0.2857    0.3750
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2398      2.00000
     42     -21.2068      2.00000
     43     -21.1968      2.00000
     44     -21.1802      2.00000
     45     -20.9505      2.00000
     46     -20.9363      2.00000
     47     -20.9103      2.00000
     48     -20.9005      2.00000
     49     -19.3056      2.00000
     50     -19.2938      2.00000
     51     -19.2907      2.00000
     52     -19.2812      2.00000
     53     -18.6934      2.00000
     54     -18.6822      2.00000
     55     -18.6740      2.00000
     56     -18.6566      2.00000
     57     -18.2548      2.00000
     58     -18.2344      2.00000
     59     -18.1751      2.00000
     60     -18.1571      2.00000
     61     -18.1160      2.00000
     62     -18.1090      2.00000
     63     -18.0739      2.00000
     64     -18.0703      2.00000
     65     -17.8922      2.00000
     66     -17.8816      2.00000
     67     -17.8632      2.00000
     68     -17.8567      2.00000
     69     -17.7711      2.00000
     70     -17.7376      2.00000
     71     -17.6892      2.00000
     72     -17.6652      2.00000
     73     -17.3017      2.00000
     74     -17.2982      2.00000
     75     -17.2915      2.00000
     76     -17.2877      2.00000
     77      -8.0467      2.00000
     78      -7.8713      2.00000
     79      -7.7622      2.00000
     80      -7.7226      2.00000
     81      -7.6380      2.00000
     82      -7.5330      2.00000
     83      -7.4411      2.00000
     84      -7.4343      2.00000
     85      -7.1236      2.00000
     86      -7.0911      2.00000
     87      -7.0694      2.00000
     88      -7.0449      2.00000
     89      -6.6266      2.00000
     90      -6.5803      2.00000
     91      -6.5488      2.00000
     92      -6.5263      2.00000
     93      -6.2960      2.00000
     94      -6.2133      2.00000
     95      -6.1883      2.00000
     96      -6.1246      2.00000
     97      -5.9086      2.00000
     98      -5.8550      2.00000
     99      -5.7294      2.00000
    100      -5.6310      2.00000
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    103      -5.4436      2.00000
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    106      -5.3417      2.00000
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    110      -5.1493      2.00000
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    116      -4.6791      2.00000
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    148      -1.3900      2.00000
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    184       0.4810      2.00000
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    187       6.0419      0.00000
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    189       6.0895      0.00000
    190       6.1872      0.00000
    191       6.3910      0.00000
    192       6.5315      0.00000
    193       6.5719      0.00000
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    204       9.0725      0.00000
    205       9.1751      0.00000
    206       9.2626      0.00000
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    208       9.5242      0.00000
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    210       9.7078      0.00000
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    212      10.0924      0.00000
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    223      11.0274      0.00000
    224      11.0846      0.00000
    225      11.2019      0.00000
    226      11.2082      0.00000
    227      11.3623      0.00000
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    230      11.5936      0.00000
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    232      11.7741      0.00000
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    236      12.1723      0.00000
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    238      12.2425      0.00000
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    240      12.3801      0.00000
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    244      12.5970      0.00000
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    253      13.1333      0.00000
    254      13.1703      0.00000
    255      13.2770      0.00000
    256      13.3113      0.00000

 k-point   121 :       0.3333    0.2857    0.3750
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2393      2.00000
     42     -21.2070      2.00000
     43     -21.1967      2.00000
     44     -21.1803      2.00000
     45     -20.9510      2.00000
     46     -20.9361      2.00000
     47     -20.9105      2.00000
     48     -20.9004      2.00000
     49     -19.3054      2.00000
     50     -19.2928      2.00000
     51     -19.2912      2.00000
     52     -19.2826      2.00000
     53     -18.6914      2.00000
     54     -18.6803      2.00000
     55     -18.6754      2.00000
     56     -18.6554      2.00000
     57     -18.2551      2.00000
     58     -18.2346      2.00000
     59     -18.1795      2.00000
     60     -18.1579      2.00000
     61     -18.1161      2.00000
     62     -18.1093      2.00000
     63     -18.0727      2.00000
     64     -18.0686      2.00000
     65     -17.8937      2.00000
     66     -17.8821      2.00000
     67     -17.8624      2.00000
     68     -17.8559      2.00000
     69     -17.7712      2.00000
     70     -17.7378      2.00000
     71     -17.6889      2.00000
     72     -17.6653      2.00000
     73     -17.3005      2.00000
     74     -17.2966      2.00000
     75     -17.2925      2.00000
     76     -17.2890      2.00000
     77      -8.0488      2.00000
     78      -7.8639      2.00000
     79      -7.7394      2.00000
     80      -7.6970      2.00000
     81      -7.6675      2.00000
     82      -7.5292      2.00000
     83      -7.4731      2.00000
     84      -7.4332      2.00000
     85      -7.1384      2.00000
     86      -7.1002      2.00000
     87      -7.0607      2.00000
     88      -7.0366      2.00000
     89      -6.6390      2.00000
     90      -6.5897      2.00000
     91      -6.5410      2.00000
     92      -6.5284      2.00000
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     95      -6.1889      2.00000
     96      -6.1180      2.00000
     97      -5.9010      2.00000
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    120      -4.4331      2.00000
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    253      13.1606      0.00000
    254      13.2389      0.00000
    255      13.2461      0.00000
    256      13.3709      0.00000

 k-point   122 :       0.5000    0.2857    0.3750
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2400      2.00000
     42     -21.2067      2.00000
     43     -21.1969      2.00000
     44     -21.1802      2.00000
     45     -20.9502      2.00000
     46     -20.9365      2.00000
     47     -20.9101      2.00000
     48     -20.9005      2.00000
     49     -19.3051      2.00000
     50     -19.2946      2.00000
     51     -19.2916      2.00000
     52     -19.2825      2.00000
     53     -18.6928      2.00000
     54     -18.6795      2.00000
     55     -18.6714      2.00000
     56     -18.6570      2.00000
     57     -18.2548      2.00000
     58     -18.2351      2.00000
     59     -18.1777      2.00000
     60     -18.1591      2.00000
     61     -18.1144      2.00000
     62     -18.1076      2.00000
     63     -18.0728      2.00000
     64     -18.0703      2.00000
     65     -17.8913      2.00000
     66     -17.8836      2.00000
     67     -17.8646      2.00000
     68     -17.8566      2.00000
     69     -17.7715      2.00000
     70     -17.7379      2.00000
     71     -17.6891      2.00000
     72     -17.6649      2.00000
     73     -17.3027      2.00000
     74     -17.2994      2.00000
     75     -17.2903      2.00000
     76     -17.2860      2.00000
     77      -8.0359      2.00000
     78      -7.8437      2.00000
     79      -7.7346      2.00000
     80      -7.7064      2.00000
     81      -7.6714      2.00000
     82      -7.5584      2.00000
     83      -7.4720      2.00000
     84      -7.4495      2.00000
     85      -7.1377      2.00000
     86      -7.1214      2.00000
     87      -7.0465      2.00000
     88      -7.0369      2.00000
     89      -6.6198      2.00000
     90      -6.5798      2.00000
     91      -6.5489      2.00000
     92      -6.5387      2.00000
     93      -6.2886      2.00000
     94      -6.2013      2.00000
     95      -6.1845      2.00000
     96      -6.1154      2.00000
     97      -5.8850      2.00000
     98      -5.8249      2.00000
     99      -5.7257      2.00000
    100      -5.6585      2.00000
    101      -5.5656      2.00000
    102      -5.5449      2.00000
    103      -5.4406      2.00000
    104      -5.3762      2.00000
    105      -5.3317      2.00000
    106      -5.3275      2.00000
    107      -5.2868      2.00000
    108      -5.2267      2.00000
    109      -5.2047      2.00000
    110      -5.1455      2.00000
    111      -5.0500      2.00000
    112      -5.0351      2.00000
    113      -4.8546      2.00000
    114      -4.7811      2.00000
    115      -4.7778      2.00000
    116      -4.7269      2.00000
    117      -4.5573      2.00000
    118      -4.5483      2.00000
    119      -4.4912      2.00000
    120      -4.4435      2.00000
    121      -4.0853      2.00000
    122      -4.0378      2.00000
    123      -3.9585      2.00000
    124      -3.9032      2.00000
    125      -3.6582      2.00000
    126      -3.6309      2.00000
    127      -3.5757      2.00000
    128      -3.5423      2.00000
    129      -2.6294      2.00000
    130      -2.5613      2.00000
    131      -2.4388      2.00000
    132      -2.3863      2.00000
    133      -2.2789      2.00000
    134      -2.2266      2.00000
    135      -2.0917      2.00000
    136      -2.0355      2.00000
    137      -1.9434      2.00000
    138      -1.8972      2.00000
    139      -1.8665      2.00000
    140      -1.8442      2.00000
    141      -1.7949      2.00000
    142      -1.7525      2.00000
    143      -1.7130      2.00000
    144      -1.6612      2.00000
    145      -1.5195      2.00000
    146      -1.4812      2.00000
    147      -1.4281      2.00000
    148      -1.4118      2.00000
    149      -1.3756      2.00000
    150      -1.3412      2.00000
    151      -1.3284      2.00000
    152      -1.2931      2.00000
    153      -1.2050      2.00000
    154      -1.1856      2.00000
    155      -1.1622      2.00000
    156      -1.1476      2.00000
    157      -1.0965      2.00000
    158      -1.0704      2.00000
    159      -1.0246      2.00000
    160      -0.9883      2.00000
    161      -0.9230      2.00000
    162      -0.8974      2.00000
    163      -0.8370      2.00000
    164      -0.8035      2.00000
    165      -0.7561      2.00000
    166      -0.7284      2.00000
    167      -0.7172      2.00000
    168      -0.7014      2.00000
    169      -0.6531      2.00000
    170      -0.6337      2.00000
    171      -0.6066      2.00000
    172      -0.5643      2.00000
    173      -0.4655      2.00000
    174      -0.4562      2.00000
    175      -0.3288      2.00000
    176      -0.2643      2.00000
    177      -0.1736      2.00000
    178      -0.0817      2.00000
    179       0.0651      2.00000
    180       0.1084      2.00000
    181       0.3347      2.00000
    182       0.3770      2.00000
    183       0.4591      2.00000
    184       0.4823      2.00000
    185       5.7953      0.00000
    186       5.9267      0.00000
    187       5.9810      0.00000
    188       6.0667      0.00000
    189       6.0942      0.00000
    190       6.1633      0.00000
    191       6.4437      0.00000
    192       6.5288      0.00000
    193       6.5760      0.00000
    194       6.6424      0.00000
    195       6.7986      0.00000
    196       7.0510      0.00000
    197       7.2468      0.00000
    198       7.5436      0.00000
    199       7.9865      0.00000
    200       8.3088      0.00000
    201       8.7916      0.00000
    202       8.8886      0.00000
    203       9.0338      0.00000
    204       9.1345      0.00000
    205       9.1774      0.00000
    206       9.2342      0.00000
    207       9.4781      0.00000
    208       9.5668      0.00000
    209       9.6753      0.00000
    210       9.8960      0.00000
    211       9.9603      0.00000
    212      10.1533      0.00000
    213      10.2025      0.00000
    214      10.3335      0.00000
    215      10.5191      0.00000
    216      10.5920      0.00000
    217      10.6801      0.00000
    218      10.7327      0.00000
    219      10.8490      0.00000
    220      10.8905      0.00000
    221      10.9155      0.00000
    222      10.9486      0.00000
    223      11.0454      0.00000
    224      11.0816      0.00000
    225      11.1695      0.00000
    226      11.2861      0.00000
    227      11.3271      0.00000
    228      11.4171      0.00000
    229      11.4943      0.00000
    230      11.5718      0.00000
    231      11.6917      0.00000
    232      11.7546      0.00000
    233      11.8739      0.00000
    234      12.0143      0.00000
    235      12.0739      0.00000
    236      12.1199      0.00000
    237      12.1766      0.00000
    238      12.2425      0.00000
    239      12.3193      0.00000
    240      12.3720      0.00000
    241      12.3848      0.00000
    242      12.5005      0.00000
    243      12.5300      0.00000
    244      12.5794      0.00000
    245      12.6431      0.00000
    246      12.7555      0.00000
    247      12.7970      0.00000
    248      12.8739      0.00000
    249      12.9354      0.00000
    250      12.9730      0.00000
    251      13.0410      0.00000
    252      13.1118      0.00000
    253      13.1337      0.00000
    254      13.1882      0.00000
    255      13.3044      0.00000
    256      13.3537      0.00000

 k-point   123 :      -0.3333    0.2857    0.3750
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2412      2.00000
     42     -21.2061      2.00000
     43     -21.1971      2.00000
     44     -21.1800      2.00000
     45     -20.9488      2.00000
     46     -20.9371      2.00000
     47     -20.9095      2.00000
     48     -20.9007      2.00000
     49     -19.3052      2.00000
     50     -19.2952      2.00000
     51     -19.2935      2.00000
     52     -19.2810      2.00000
     53     -18.6960      2.00000
     54     -18.6768      2.00000
     55     -18.6702      2.00000
     56     -18.6596      2.00000
     57     -18.2542      2.00000
     58     -18.2349      2.00000
     59     -18.1721      2.00000
     60     -18.1595      2.00000
     61     -18.1122      2.00000
     62     -18.1055      2.00000
     63     -18.0751      2.00000
     64     -18.0728      2.00000
     65     -17.8877      2.00000
     66     -17.8851      2.00000
     67     -17.8674      2.00000
     68     -17.8580      2.00000
     69     -17.7718      2.00000
     70     -17.7379      2.00000
     71     -17.6897      2.00000
     72     -17.6645      2.00000
     73     -17.3053      2.00000
     74     -17.3017      2.00000
     75     -17.2884      2.00000
     76     -17.2832      2.00000
     77      -8.0190      2.00000
     78      -7.8294      2.00000
     79      -7.7522      2.00000
     80      -7.7289      2.00000
     81      -7.6732      2.00000
     82      -7.5773      2.00000
     83      -7.4864      2.00000
     84      -7.4171      2.00000
     85      -7.1404      2.00000
     86      -7.1167      2.00000
     87      -7.0470      2.00000
     88      -7.0397      2.00000
     89      -6.5930      2.00000
     90      -6.5779      2.00000
     91      -6.5502      2.00000
     92      -6.5439      2.00000
     93      -6.2910      2.00000
     94      -6.1962      2.00000
     95      -6.1789      2.00000
     96      -6.1184      2.00000
     97      -5.8763      2.00000
     98      -5.8402      2.00000
     99      -5.7054      2.00000
    100      -5.6532      2.00000
    101      -5.5822      2.00000
    102      -5.5505      2.00000
    103      -5.4367      2.00000
    104      -5.3847      2.00000
    105      -5.3505      2.00000
    106      -5.3209      2.00000
    107      -5.2889      2.00000
    108      -5.2604      2.00000
    109      -5.1938      2.00000
    110      -5.1398      2.00000
    111      -5.0774      2.00000
    112      -5.0189      2.00000
    113      -4.8206      2.00000
    114      -4.7849      2.00000
    115      -4.7567      2.00000
    116      -4.7141      2.00000
    117      -4.5670      2.00000
    118      -4.5279      2.00000
    119      -4.4875      2.00000
    120      -4.4655      2.00000
    121      -4.1142      2.00000
    122      -4.0423      2.00000
    123      -3.9421      2.00000
    124      -3.9007      2.00000
    125      -3.6714      2.00000
    126      -3.6232      2.00000
    127      -3.5663      2.00000
    128      -3.5558      2.00000
    129      -2.6182      2.00000
    130      -2.5754      2.00000
    131      -2.4350      2.00000
    132      -2.3881      2.00000
    133      -2.2666      2.00000
    134      -2.2425      2.00000
    135      -2.1196      2.00000
    136      -2.0365      2.00000
    137      -1.9482      2.00000
    138      -1.8977      2.00000
    139      -1.8654      2.00000
    140      -1.8504      2.00000
    141      -1.7847      2.00000
    142      -1.7692      2.00000
    143      -1.6989      2.00000
    144      -1.6311      2.00000
    145      -1.5022      2.00000
    146      -1.4826      2.00000
    147      -1.4311      2.00000
    148      -1.4042      2.00000
    149      -1.3625      2.00000
    150      -1.3564      2.00000
    151      -1.3393      2.00000
    152      -1.3030      2.00000
    153      -1.2037      2.00000
    154      -1.1709      2.00000
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    156      -1.1244      2.00000
    157      -1.1112      2.00000
    158      -1.0887      2.00000
    159      -1.0249      2.00000
    160      -0.9958      2.00000
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    162      -0.8877      2.00000
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    178      -0.0795      2.00000
    179       0.0723      2.00000
    180       0.1018      2.00000
    181       0.3414      2.00000
    182       0.3670      2.00000
    183       0.4550      2.00000
    184       0.4794      2.00000
    185       5.6763      0.00000
    186       5.9279      0.00000
    187       5.9880      0.00000
    188       6.0662      0.00000
    189       6.0984      0.00000
    190       6.2046      0.00000
    191       6.4666      0.00000
    192       6.5562      0.00000
    193       6.5903      0.00000
    194       6.7140      0.00000
    195       6.8312      0.00000
    196       6.9383      0.00000
    197       7.4006      0.00000
    198       7.6118      0.00000
    199       7.9542      0.00000
    200       8.1612      0.00000
    201       8.6228      0.00000
    202       8.8409      0.00000
    203       8.9920      0.00000
    204       9.0697      0.00000
    205       9.2039      0.00000
    206       9.3531      0.00000
    207       9.4579      0.00000
    208       9.5467      0.00000
    209       9.7794      0.00000
    210       9.9506      0.00000
    211       9.9843      0.00000
    212      10.1629      0.00000
    213      10.2916      0.00000
    214      10.3445      0.00000
    215      10.4766      0.00000
    216      10.5176      0.00000
    217      10.6321      0.00000
    218      10.6772      0.00000
    219      10.8282      0.00000
    220      10.8785      0.00000
    221      10.9827      0.00000
    222      11.0009      0.00000
    223      11.0732      0.00000
    224      11.0901      0.00000
    225      11.1877      0.00000
    226      11.3084      0.00000
    227      11.3256      0.00000
    228      11.4172      0.00000
    229      11.4855      0.00000
    230      11.6094      0.00000
    231      11.7417      0.00000
    232      11.7939      0.00000
    233      11.8998      0.00000
    234      11.9906      0.00000
    235      12.0633      0.00000
    236      12.1281      0.00000
    237      12.1605      0.00000
    238      12.2113      0.00000
    239      12.2709      0.00000
    240      12.2880      0.00000
    241      12.4036      0.00000
    242      12.4690      0.00000
    243      12.5278      0.00000
    244      12.6054      0.00000
    245      12.6584      0.00000
    246      12.7241      0.00000
    247      12.8008      0.00000
    248      12.8716      0.00000
    249      12.9146      0.00000
    250      12.9187      0.00000
    251      13.0091      0.00000
    252      13.0746      0.00000
    253      13.1485      0.00000
    254      13.2558      0.00000
    255      13.2693      0.00000
    256      13.3741      0.00000

 k-point   124 :      -0.1667    0.2857    0.3750
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2416      2.00000
     42     -21.2059      2.00000
     43     -21.1972      2.00000
     44     -21.1800      2.00000
     45     -20.9483      2.00000
     46     -20.9374      2.00000
     47     -20.9093      2.00000
     48     -20.9008      2.00000
     49     -19.3055      2.00000
     50     -19.2952      2.00000
     51     -19.2935      2.00000
     52     -19.2799      2.00000
     53     -18.6978      2.00000
     54     -18.6774      2.00000
     55     -18.6708      2.00000
     56     -18.6605      2.00000
     57     -18.2541      2.00000
     58     -18.2342      2.00000
     59     -18.1682      2.00000
     60     -18.1587      2.00000
     61     -18.1117      2.00000
     62     -18.1052      2.00000
     63     -18.0770      2.00000
     64     -18.0740      2.00000
     65     -17.8864      2.00000
     66     -17.8851      2.00000
     67     -17.8677      2.00000
     68     -17.8588      2.00000
     69     -17.7717      2.00000
     70     -17.7377      2.00000
     71     -17.6900      2.00000
     72     -17.6645      2.00000
     73     -17.3062      2.00000
     74     -17.3023      2.00000
     75     -17.2881      2.00000
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     78      -7.8418      2.00000
     79      -7.7661      2.00000
     80      -7.7399      2.00000
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     83      -7.4829      2.00000
     84      -7.3914      2.00000
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     86      -7.0946      2.00000
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     98      -5.8628      2.00000
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    110      -5.1465      2.00000
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    114      -4.7510      2.00000
    115      -4.7093      2.00000
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    123      -3.9401      2.00000
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    128      -3.5566      2.00000
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    184       0.4773      2.00000
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    186       5.9273      0.00000
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    188       6.0746      0.00000
    189       6.0982      0.00000
    190       6.2580      0.00000
    191       6.4676      0.00000
    192       6.5665      0.00000
    193       6.5934      0.00000
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    197       7.4826      0.00000
    198       7.6722      0.00000
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    200       8.2135      0.00000
    201       8.5788      0.00000
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    203       8.9013      0.00000
    204       9.0635      0.00000
    205       9.2484      0.00000
    206       9.3525      0.00000
    207       9.4307      0.00000
    208       9.6434      0.00000
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    210       9.8895      0.00000
    211       9.9593      0.00000
    212      10.1306      0.00000
    213      10.3760      0.00000
    214      10.4225      0.00000
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    216      10.5435      0.00000
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    224      11.1371      0.00000
    225      11.1832      0.00000
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    227      11.3000      0.00000
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    255      13.2864      0.00000
    256      13.3169      0.00000

 k-point   125 :       0.0000    0.4286    0.3750
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2277      2.00000
     42     -21.2124      2.00000
     43     -21.1970      2.00000
     44     -21.1877      2.00000
     45     -20.9372      2.00000
     46     -20.9282      2.00000
     47     -20.9199      2.00000
     48     -20.9120      2.00000
     49     -19.3019      2.00000
     50     -19.2974      2.00000
     51     -19.2890      2.00000
     52     -19.2841      2.00000
     53     -18.6885      2.00000
     54     -18.6811      2.00000
     55     -18.6712      2.00000
     56     -18.6651      2.00000
     57     -18.2306      2.00000
     58     -18.2197      2.00000
     59     -18.1834      2.00000
     60     -18.1786      2.00000
     61     -18.1154      2.00000
     62     -18.1125      2.00000
     63     -18.0738      2.00000
     64     -18.0727      2.00000
     65     -17.8850      2.00000
     66     -17.8830      2.00000
     67     -17.8670      2.00000
     68     -17.8640      2.00000
     69     -17.7471      2.00000
     70     -17.7246      2.00000
     71     -17.7053      2.00000
     72     -17.6860      2.00000
     73     -17.2991      2.00000
     74     -17.2953      2.00000
     75     -17.2934      2.00000
     76     -17.2890      2.00000
     77      -7.9719      2.00000
     78      -7.9089      2.00000
     79      -7.7306      2.00000
     80      -7.7171      2.00000
     81      -7.6155      2.00000
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     84      -7.4662      2.00000
     85      -7.1023      2.00000
     86      -7.0843      2.00000
     87      -7.0695      2.00000
     88      -7.0541      2.00000
     89      -6.5901      2.00000
     90      -6.5823      2.00000
     91      -6.5488      2.00000
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     93      -6.2781      2.00000
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     95      -6.1815      2.00000
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     97      -5.8782      2.00000
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     99      -5.6995      2.00000
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    256      13.3094      0.00000

 k-point   126 :       0.1667    0.4286    0.3750
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2269      2.00000
     42     -21.2119      2.00000
     43     -21.1974      2.00000
     44     -21.1880      2.00000
     45     -20.9384      2.00000
     46     -20.9283      2.00000
     47     -20.9201      2.00000
     48     -20.9116      2.00000
     49     -19.3017      2.00000
     50     -19.2970      2.00000
     51     -19.2882      2.00000
     52     -19.2843      2.00000
     53     -18.6869      2.00000
     54     -18.6810      2.00000
     55     -18.6721      2.00000
     56     -18.6639      2.00000
     57     -18.2321      2.00000
     58     -18.2200      2.00000
     59     -18.1867      2.00000
     60     -18.1777      2.00000
     61     -18.1183      2.00000
     62     -18.1152      2.00000
     63     -18.0717      2.00000
     64     -18.0703      2.00000
     65     -17.8880      2.00000
     66     -17.8841      2.00000
     67     -17.8637      2.00000
     68     -17.8611      2.00000
     69     -17.7466      2.00000
     70     -17.7244      2.00000
     71     -17.7052      2.00000
     72     -17.6863      2.00000
     73     -17.2978      2.00000
     74     -17.2951      2.00000
     75     -17.2932      2.00000
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     77      -7.9862      2.00000
     78      -7.9213      2.00000
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     80      -7.7007      2.00000
     81      -7.5919      2.00000
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     84      -7.4954      2.00000
     85      -7.1033      2.00000
     86      -7.0852      2.00000
     87      -7.0680      2.00000
     88      -7.0528      2.00000
     89      -6.6142      2.00000
     90      -6.5980      2.00000
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     92      -6.5331      2.00000
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     95      -6.1815      2.00000
     96      -6.1569      2.00000
     97      -5.8796      2.00000
     98      -5.8560      2.00000
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    154      -1.2293      2.00000
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    156      -1.1169      2.00000
    157      -1.0941      2.00000
    158      -1.0924      2.00000
    159      -1.0348      2.00000
    160      -1.0244      2.00000
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    184       0.4569      2.00000
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    186       5.9246      0.00000
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    188       6.0852      0.00000
    189       6.1570      0.00000
    190       6.2259      0.00000
    191       6.3711      0.00000
    192       6.4349      0.00000
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    194       6.6505      0.00000
    195       6.8068      0.00000
    196       6.8939      0.00000
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    198       7.2979      0.00000
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    203       9.0961      0.00000
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    208       9.5052      0.00000
    209       9.7891      0.00000
    210       9.9106      0.00000
    211      10.0115      0.00000
    212      10.1737      0.00000
    213      10.1982      0.00000
    214      10.3720      0.00000
    215      10.5493      0.00000
    216      10.5726      0.00000
    217      10.6223      0.00000
    218      10.7217      0.00000
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    236      12.1550      0.00000
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 k-point   127 :       0.3333    0.4286    0.3750
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      2     -72.4432      2.00000
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     11     -39.2154      2.00000
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     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2265      2.00000
     42     -21.2117      2.00000
     43     -21.1975      2.00000
     44     -21.1881      2.00000
     45     -20.9388      2.00000
     46     -20.9285      2.00000
     47     -20.9201      2.00000
     48     -20.9115      2.00000
     49     -19.3016      2.00000
     50     -19.2972      2.00000
     51     -19.2881      2.00000
     52     -19.2850      2.00000
     53     -18.6856      2.00000
     54     -18.6800      2.00000
     55     -18.6718      2.00000
     56     -18.6630      2.00000
     57     -18.2319      2.00000
     58     -18.2183      2.00000
     59     -18.1916      2.00000
     60     -18.1795      2.00000
     61     -18.1188      2.00000
     62     -18.1157      2.00000
     63     -18.0705      2.00000
     64     -18.0690      2.00000
     65     -17.8896      2.00000
     66     -17.8855      2.00000
     67     -17.8623      2.00000
     68     -17.8598      2.00000
     69     -17.7466      2.00000
     70     -17.7244      2.00000
     71     -17.7050      2.00000
     72     -17.6863      2.00000
     73     -17.2973      2.00000
     74     -17.2944      2.00000
     75     -17.2934      2.00000
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     77      -7.9865      2.00000
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     79      -7.6879      2.00000
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     84      -7.5007      2.00000
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     86      -7.1121      2.00000
     87      -7.0461      2.00000
     88      -7.0371      2.00000
     89      -6.6263      2.00000
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     95      -6.1768      2.00000
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     97      -5.8661      2.00000
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 k-point   128 :       0.5000    0.4286    0.3750
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      3     -72.4428      2.00000
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     10     -71.7455      2.00000
     11     -39.2154      2.00000
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     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2271      2.00000
     42     -21.2121      2.00000
     43     -21.1973      2.00000
     44     -21.1879      2.00000
     45     -20.9381      2.00000
     46     -20.9285      2.00000
     47     -20.9199      2.00000
     48     -20.9116      2.00000
     49     -19.3017      2.00000
     50     -19.2979      2.00000
     51     -19.2887      2.00000
     52     -19.2853      2.00000
     53     -18.6859      2.00000
     54     -18.6796      2.00000
     55     -18.6700      2.00000
     56     -18.6634      2.00000
     57     -18.2298      2.00000
     58     -18.2165      2.00000
     59     -18.1930      2.00000
     60     -18.1824      2.00000
     61     -18.1165      2.00000
     62     -18.1135      2.00000
     63     -18.0712      2.00000
     64     -18.0702      2.00000
     65     -17.8883      2.00000
     66     -17.8856      2.00000
     67     -17.8643      2.00000
     68     -17.8612      2.00000
     69     -17.7470      2.00000
     70     -17.7248      2.00000
     71     -17.7049      2.00000
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    233      11.9244      0.00000
    234      11.9788      0.00000
    235      12.1198      0.00000
    236      12.1624      0.00000
    237      12.1848      0.00000
    238      12.2429      0.00000
    239      12.3621      0.00000
    240      12.4111      0.00000
    241      12.4328      0.00000
    242      12.4753      0.00000
    243      12.5298      0.00000
    244      12.5388      0.00000
    245      12.6832      0.00000
    246      12.7222      0.00000
    247      12.8198      0.00000
    248      12.8497      0.00000
    249      12.9441      0.00000
    250      12.9859      0.00000
    251      13.0153      0.00000
    252      13.0575      0.00000
    253      13.1592      0.00000
    254      13.2044      0.00000
    255      13.2999      0.00000
    256      13.3237      0.00000

 k-point   129 :      -0.3333    0.4286    0.3750
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0262      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2279      2.00000
     42     -21.2126      2.00000
     43     -21.1969      2.00000
     44     -21.1877      2.00000
     45     -20.9370      2.00000
     46     -20.9284      2.00000
     47     -20.9196      2.00000
     48     -20.9120      2.00000
     49     -19.3020      2.00000
     50     -19.2982      2.00000
     51     -19.2896      2.00000
     52     -19.2850      2.00000
     53     -18.6877      2.00000
     54     -18.6791      2.00000
     55     -18.6699      2.00000
     56     -18.6643      2.00000
     57     -18.2282      2.00000
     58     -18.2166      2.00000
     59     -18.1891      2.00000
     60     -18.1837      2.00000
     61     -18.1136      2.00000
     62     -18.1108      2.00000
     63     -18.0733      2.00000
     64     -18.0724      2.00000
     65     -17.8857      2.00000
     66     -17.8845      2.00000
     67     -17.8676      2.00000
     68     -17.8638      2.00000
     69     -17.7475      2.00000
     70     -17.7250      2.00000
     71     -17.7050      2.00000
     72     -17.6857      2.00000
     73     -17.2994      2.00000
     74     -17.2951      2.00000
     75     -17.2931      2.00000
     76     -17.2883      2.00000
     77      -7.9571      2.00000
     78      -7.8876      2.00000
     79      -7.7076      2.00000
     80      -7.6848      2.00000
     81      -7.6525      2.00000
     82      -7.5838      2.00000
     83      -7.5302      2.00000
     84      -7.4817      2.00000
     85      -7.1368      2.00000
     86      -7.1283      2.00000
     87      -7.0372      2.00000
     88      -7.0348      2.00000
     89      -6.5860      2.00000
     90      -6.5800      2.00000
     91      -6.5552      2.00000
     92      -6.5515      2.00000
     93      -6.2643      2.00000
     94      -6.2314      2.00000
     95      -6.1738      2.00000
     96      -6.1529      2.00000
     97      -5.8514      2.00000
     98      -5.8344      2.00000
     99      -5.7034      2.00000
    100      -5.6832      2.00000
    101      -5.5931      2.00000
    102      -5.5762      2.00000
    103      -5.4151      2.00000
    104      -5.3955      2.00000
    105      -5.3136      2.00000
    106      -5.2990      2.00000
    107      -5.2683      2.00000
    108      -5.2569      2.00000
    109      -5.1874      2.00000
    110      -5.1604      2.00000
    111      -5.0834      2.00000
    112      -5.0574      2.00000
    113      -4.8024      2.00000
    114      -4.7822      2.00000
    115      -4.7550      2.00000
    116      -4.7323      2.00000
    117      -4.5470      2.00000
    118      -4.5318      2.00000
    119      -4.5000      2.00000
    120      -4.4883      2.00000
    121      -4.0964      2.00000
    122      -4.0712      2.00000
    123      -3.9260      2.00000
    124      -3.9115      2.00000
    125      -3.6353      2.00000
    126      -3.6176      2.00000
    127      -3.5572      2.00000
    128      -3.5528      2.00000
    129      -2.5569      2.00000
    130      -2.5404      2.00000
    131      -2.3487      2.00000
    132      -2.3176      2.00000
    133      -2.2613      2.00000
    134      -2.2371      2.00000
    135      -2.1600      2.00000
    136      -2.1061      2.00000
    137      -1.9913      2.00000
    138      -1.9608      2.00000
    139      -1.8510      2.00000
    140      -1.8303      2.00000
    141      -1.7773      2.00000
    142      -1.7424      2.00000
    143      -1.7246      2.00000
    144      -1.6806      2.00000
    145      -1.4920      2.00000
    146      -1.4791      2.00000
    147      -1.4398      2.00000
    148      -1.4112      2.00000
    149      -1.3765      2.00000
    150      -1.3709      2.00000
    151      -1.3116      2.00000
    152      -1.2825      2.00000
    153      -1.2328      2.00000
    154      -1.2226      2.00000
    155      -1.1603      2.00000
    156      -1.1473      2.00000
    157      -1.0919      2.00000
    158      -1.0839      2.00000
    159      -1.0248      2.00000
    160      -1.0033      2.00000
    161      -0.8950      2.00000
    162      -0.8738      2.00000
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    165      -0.7449      2.00000
    166      -0.7412      2.00000
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    168      -0.6956      2.00000
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    172      -0.5820      2.00000
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    175      -0.3200      2.00000
    176      -0.2941      2.00000
    177      -0.0969      2.00000
    178      -0.0288      2.00000
    179       0.0024      2.00000
    180       0.0466      2.00000
    181       0.3643      2.00000
    182       0.3790      2.00000
    183       0.4414      2.00000
    184       0.4551      2.00000
    185       5.8746      0.00000
    186       5.9460      0.00000
    187       5.9855      0.00000
    188       6.0803      0.00000
    189       6.0971      0.00000
    190       6.1342      0.00000
    191       6.4056      0.00000
    192       6.4765      0.00000
    193       6.6539      0.00000
    194       6.7319      0.00000
    195       6.8267      0.00000
    196       6.9118      0.00000
    197       7.4434      0.00000
    198       7.5300      0.00000
    199       7.8615      0.00000
    200       7.9405      0.00000
    201       8.6752      0.00000
    202       8.7727      0.00000
    203       8.9956      0.00000
    204       9.0326      0.00000
    205       9.4603      0.00000
    206       9.5081      0.00000
    207       9.5394      0.00000
    208       9.6220      0.00000
    209       9.9513      0.00000
    210       9.9901      0.00000
    211      10.0355      0.00000
    212      10.1283      0.00000
    213      10.2960      0.00000
    214      10.3307      0.00000
    215      10.3929      0.00000
    216      10.5411      0.00000
    217      10.6039      0.00000
    218      10.6979      0.00000
    219      10.7297      0.00000
    220      10.8052      0.00000
    221      10.9257      0.00000
    222      10.9878      0.00000
    223      11.0677      0.00000
    224      11.1093      0.00000
    225      11.1746      0.00000
    226      11.2104      0.00000
    227      11.3208      0.00000
    228      11.3685      0.00000
    229      11.4475      0.00000
    230      11.4978      0.00000
    231      11.7323      0.00000
    232      11.7606      0.00000
    233      11.9517      0.00000
    234      12.0158      0.00000
    235      12.0875      0.00000
    236      12.1115      0.00000
    237      12.1596      0.00000
    238      12.2204      0.00000
    239      12.3227      0.00000
    240      12.3492      0.00000
    241      12.4064      0.00000
    242      12.4204      0.00000
    243      12.5536      0.00000
    244      12.5999      0.00000
    245      12.6973      0.00000
    246      12.7477      0.00000
    247      12.7731      0.00000
    248      12.8542      0.00000
    249      12.9176      0.00000
    250      12.9501      0.00000
    251      12.9903      0.00000
    252      13.0447      0.00000
    253      13.1494      0.00000
    254      13.1855      0.00000
    255      13.2856      0.00000
    256      13.3632      0.00000

 k-point   130 :      -0.1667    0.4286    0.3750
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2283      2.00000
     42     -21.2128      2.00000
     43     -21.1967      2.00000
     44     -21.1876      2.00000
     45     -20.9365      2.00000
     46     -20.9283      2.00000
     47     -20.9196      2.00000
     48     -20.9122      2.00000
     49     -19.3021      2.00000
     50     -19.2979      2.00000
     51     -19.2898      2.00000
     52     -19.2844      2.00000
     53     -18.6889      2.00000
     54     -18.6797      2.00000
     55     -18.6707      2.00000
     56     -18.6650      2.00000
     57     -18.2289      2.00000
     58     -18.2178      2.00000
     59     -18.1846      2.00000
     60     -18.1816      2.00000
     61     -18.1129      2.00000
     62     -18.1102      2.00000
     63     -18.0747      2.00000
     64     -18.0736      2.00000
     65     -17.8841      2.00000
     66     -17.8832      2.00000
     67     -17.8688      2.00000
     68     -17.8652      2.00000
     69     -17.7476      2.00000
     70     -17.7250      2.00000
     71     -17.7052      2.00000
     72     -17.6857      2.00000
     73     -17.2998      2.00000
     74     -17.2951      2.00000
     75     -17.2935      2.00000
     76     -17.2880      2.00000
     77      -7.9566      2.00000
     78      -7.8915      2.00000
     79      -7.7260      2.00000
     80      -7.7046      2.00000
     81      -7.6554      2.00000
     82      -7.5811      2.00000
     83      -7.5113      2.00000
     84      -7.4578      2.00000
     85      -7.1256      2.00000
     86      -7.1095      2.00000
     87      -7.0490      2.00000
     88      -7.0402      2.00000
     89      -6.5850      2.00000
     90      -6.5816      2.00000
     91      -6.5485      2.00000
     92      -6.5457      2.00000
     93      -6.2703      2.00000
     94      -6.2350      2.00000
     95      -6.1770      2.00000
     96      -6.1596      2.00000
     97      -5.8639      2.00000
     98      -5.8536      2.00000
     99      -5.6830      2.00000
    100      -5.6700      2.00000
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    103      -5.4188      2.00000
    104      -5.3996      2.00000
    105      -5.3157      2.00000
    106      -5.2978      2.00000
    107      -5.2882      2.00000
    108      -5.2631      2.00000
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    110      -5.1670      2.00000
    111      -5.1126      2.00000
    112      -5.0791      2.00000
    113      -4.7563      2.00000
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    115      -4.7268      2.00000
    116      -4.7118      2.00000
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    118      -4.5270      2.00000
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    120      -4.4997      2.00000
    121      -4.1146      2.00000
    122      -4.0870      2.00000
    123      -3.9188      2.00000
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    125      -3.6357      2.00000
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    128      -3.5595      2.00000
    129      -2.5500      2.00000
    130      -2.5414      2.00000
    131      -2.3534      2.00000
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    150      -1.3721      2.00000
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    179       0.0059      2.00000
    180       0.0472      2.00000
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    182       0.3730      2.00000
    183       0.4389      2.00000
    184       0.4524      2.00000
    185       5.8407      0.00000
    186       5.9419      0.00000
    187       5.9859      0.00000
    188       6.0820      0.00000
    189       6.0948      0.00000
    190       6.1311      0.00000
    191       6.4338      0.00000
    192       6.5030      0.00000
    193       6.6552      0.00000
    194       6.7335      0.00000
    195       6.8361      0.00000
    196       6.8777      0.00000
    197       7.4879      0.00000
    198       7.5590      0.00000
    199       7.8722      0.00000
    200       8.0094      0.00000
    201       8.5680      0.00000
    202       8.6548      0.00000
    203       8.9763      0.00000
    204       9.0275      0.00000
    205       9.4366      0.00000
    206       9.4516      0.00000
    207       9.5557      0.00000
    208       9.7568      0.00000
    209       9.9093      0.00000
    210       9.9926      0.00000
    211      10.0005      0.00000
    212      10.1197      0.00000
    213      10.3114      0.00000
    214      10.3737      0.00000
    215      10.4481      0.00000
    216      10.5935      0.00000
    217      10.6194      0.00000
    218      10.6730      0.00000
    219      10.7084      0.00000
    220      10.7747      0.00000
    221      11.0053      0.00000
    222      11.0303      0.00000
    223      11.0976      0.00000
    224      11.1439      0.00000
    225      11.1511      0.00000
    226      11.1782      0.00000
    227      11.2485      0.00000
    228      11.2948      0.00000
    229      11.4386      0.00000
    230      11.5082      0.00000
    231      11.8124      0.00000
    232      11.8347      0.00000
    233      11.9796      0.00000
    234      12.0048      0.00000
    235      12.0677      0.00000
    236      12.0686      0.00000
    237      12.1811      0.00000
    238      12.2199      0.00000
    239      12.3130      0.00000
    240      12.3422      0.00000
    241      12.3968      0.00000
    242      12.4557      0.00000
    243      12.5394      0.00000
    244      12.6141      0.00000
    245      12.6303      0.00000
    246      12.6633      0.00000
    247      12.7729      0.00000
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    249      12.8606      0.00000
    250      12.9217      0.00000
    251      13.0291      0.00000
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    253      13.1661      0.00000
    254      13.2012      0.00000
    255      13.3126      0.00000
    256      13.3582      0.00000

 k-point   131 :      -0.0000   -0.4286    0.3750
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2277      2.00000
     42     -21.2125      2.00000
     43     -21.1970      2.00000
     44     -21.1877      2.00000
     45     -20.9373      2.00000
     46     -20.9278      2.00000
     47     -20.9203      2.00000
     48     -20.9119      2.00000
     49     -19.3018      2.00000
     50     -19.2976      2.00000
     51     -19.2888      2.00000
     52     -19.2842      2.00000
     53     -18.6884      2.00000
     54     -18.6812      2.00000
     55     -18.6711      2.00000
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 k-point   132 :       0.1667   -0.4286    0.3750
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      2     -72.4432      2.00000
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     11     -39.2154      2.00000
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     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
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     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2268      2.00000
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     43     -21.1974      2.00000
     44     -21.1879      2.00000
     45     -20.9385      2.00000
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     48     -20.9115      2.00000
     49     -19.3016      2.00000
     50     -19.2972      2.00000
     51     -19.2881      2.00000
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     53     -18.6869      2.00000
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     65     -17.8883      2.00000
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     67     -17.8641      2.00000
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     70     -17.7247      2.00000
     71     -17.7047      2.00000
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 k-point   133 :       0.3333   -0.4286    0.3750
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      3     -72.4428      2.00000
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      8     -72.2763      2.00000
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     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2265      2.00000
     42     -21.2118      2.00000
     43     -21.1975      2.00000
     44     -21.1880      2.00000
     45     -20.9389      2.00000
     46     -20.9281      2.00000
     47     -20.9205      2.00000
     48     -20.9113      2.00000
     49     -19.3016      2.00000
     50     -19.2972      2.00000
     51     -19.2881      2.00000
     52     -19.2850      2.00000
     53     -18.6857      2.00000
     54     -18.6800      2.00000
     55     -18.6718      2.00000
     56     -18.6630      2.00000
     57     -18.2319      2.00000
     58     -18.2183      2.00000
     59     -18.1915      2.00000
     60     -18.1796      2.00000
     61     -18.1188      2.00000
     62     -18.1157      2.00000
     63     -18.0705      2.00000
     64     -18.0690      2.00000
     65     -17.8899      2.00000
     66     -17.8851      2.00000
     67     -17.8627      2.00000
     68     -17.8596      2.00000
     69     -17.7465      2.00000
     70     -17.7248      2.00000
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    154      -1.2281      2.00000
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    160      -1.0099      2.00000
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    188       6.0833      0.00000
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    191       6.3594      0.00000
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    210       9.9507      0.00000
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    212      10.1502      0.00000
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    214      10.4169      0.00000
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    256      13.3573      0.00000

 k-point   134 :       0.5000   -0.4286    0.3750
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
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      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
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     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2270      2.00000
     42     -21.2121      2.00000
     43     -21.1973      2.00000
     44     -21.1879      2.00000
     45     -20.9382      2.00000
     46     -20.9280      2.00000
     47     -20.9203      2.00000
     48     -20.9115      2.00000
     49     -19.3018      2.00000
     50     -19.2978      2.00000
     51     -19.2888      2.00000
     52     -19.2853      2.00000
     53     -18.6859      2.00000
     54     -18.6795      2.00000
     55     -18.6701      2.00000
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     57     -18.2298      2.00000
     58     -18.2166      2.00000
     59     -18.1929      2.00000
     60     -18.1824      2.00000
     61     -18.1165      2.00000
     62     -18.1136      2.00000
     63     -18.0712      2.00000
     64     -18.0702      2.00000
     65     -17.8886      2.00000
     66     -17.8851      2.00000
     67     -17.8647      2.00000
     68     -17.8609      2.00000
     69     -17.7469      2.00000
     70     -17.7251      2.00000
     71     -17.7045      2.00000
     72     -17.6862      2.00000
     73     -17.2981      2.00000
     74     -17.2952      2.00000
     75     -17.2929      2.00000
     76     -17.2896      2.00000
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     79      -7.6858      2.00000
     80      -7.6726      2.00000
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     84      -7.5127      2.00000
     85      -7.1362      2.00000
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     87      -7.0359      2.00000
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     89      -6.6096      2.00000
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     95      -6.1732      2.00000
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    110      -5.1695      2.00000
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 k-point   135 :      -0.3333   -0.4286    0.3750
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
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      5     -72.2770      2.00000
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     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0262      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2279      2.00000
     42     -21.2126      2.00000
     43     -21.1969      2.00000
     44     -21.1876      2.00000
     45     -20.9371      2.00000
     46     -20.9280      2.00000
     47     -20.9200      2.00000
     48     -20.9119      2.00000
     49     -19.3020      2.00000
     50     -19.2981      2.00000
     51     -19.2897      2.00000
     52     -19.2850      2.00000
     53     -18.6877      2.00000
     54     -18.6791      2.00000
     55     -18.6699      2.00000
     56     -18.6642      2.00000
     57     -18.2282      2.00000
     58     -18.2166      2.00000
     59     -18.1891      2.00000
     60     -18.1837      2.00000
     61     -18.1136      2.00000
     62     -18.1108      2.00000
     63     -18.0733      2.00000
     64     -18.0724      2.00000
     65     -17.8859      2.00000
     66     -17.8841      2.00000
     67     -17.8680      2.00000
     68     -17.8635      2.00000
     69     -17.7474      2.00000
     70     -17.7254      2.00000
     71     -17.7046      2.00000
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    211      10.0359      0.00000
    212      10.1278      0.00000
    213      10.2959      0.00000
    214      10.3304      0.00000
    215      10.3923      0.00000
    216      10.5414      0.00000
    217      10.6040      0.00000
    218      10.6983      0.00000
    219      10.7300      0.00000
    220      10.8046      0.00000
    221      10.9259      0.00000
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    223      11.0679      0.00000
    224      11.1090      0.00000
    225      11.1750      0.00000
    226      11.2101      0.00000
    227      11.3210      0.00000
    228      11.3687      0.00000
    229      11.4475      0.00000
    230      11.4977      0.00000
    231      11.7324      0.00000
    232      11.7603      0.00000
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    236      12.1115      0.00000
    237      12.1604      0.00000
    238      12.2195      0.00000
    239      12.3229      0.00000
    240      12.3491      0.00000
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    242      12.4211      0.00000
    243      12.5535      0.00000
    244      12.6000      0.00000
    245      12.6975      0.00000
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    247      12.7729      0.00000
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    250      12.9504      0.00000
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    254      13.1862      0.00000
    255      13.2848      0.00000
    256      13.3636      0.00000

 k-point   136 :      -0.1667   -0.4286    0.3750
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2282      2.00000
     42     -21.2128      2.00000
     43     -21.1967      2.00000
     44     -21.1875      2.00000
     45     -20.9366      2.00000
     46     -20.9279      2.00000
     47     -20.9200      2.00000
     48     -20.9120      2.00000
     49     -19.3021      2.00000
     50     -19.2979      2.00000
     51     -19.2897      2.00000
     52     -19.2845      2.00000
     53     -18.6889      2.00000
     54     -18.6798      2.00000
     55     -18.6707      2.00000
     56     -18.6650      2.00000
     57     -18.2289      2.00000
     58     -18.2178      2.00000
     59     -18.1846      2.00000
     60     -18.1816      2.00000
     61     -18.1129      2.00000
     62     -18.1103      2.00000
     63     -18.0748      2.00000
     64     -18.0736      2.00000
     65     -17.8843      2.00000
     66     -17.8829      2.00000
     67     -17.8693      2.00000
     68     -17.8649      2.00000
     69     -17.7475      2.00000
     70     -17.7253      2.00000
     71     -17.7047      2.00000
     72     -17.6859      2.00000
     73     -17.2999      2.00000
     74     -17.2951      2.00000
     75     -17.2935      2.00000
     76     -17.2880      2.00000
     77      -7.9565      2.00000
     78      -7.8916      2.00000
     79      -7.7256      2.00000
     80      -7.7052      2.00000
     81      -7.6556      2.00000
     82      -7.5807      2.00000
     83      -7.5112      2.00000
     84      -7.4580      2.00000
     85      -7.1255      2.00000
     86      -7.1096      2.00000
     87      -7.0494      2.00000
     88      -7.0398      2.00000
     89      -6.5848      2.00000
     90      -6.5819      2.00000
     91      -6.5479      2.00000
     92      -6.5462      2.00000
     93      -6.2704      2.00000
     94      -6.2349      2.00000
     95      -6.1770      2.00000
     96      -6.1596      2.00000
     97      -5.8643      2.00000
     98      -5.8531      2.00000
     99      -5.6835      2.00000
    100      -5.6697      2.00000
    101      -5.5975      2.00000
    102      -5.5694      2.00000
    103      -5.4188      2.00000
    104      -5.3996      2.00000
    105      -5.3156      2.00000
    106      -5.2977      2.00000
    107      -5.2883      2.00000
    108      -5.2631      2.00000
    109      -5.1926      2.00000
    110      -5.1670      2.00000
    111      -5.1125      2.00000
    112      -5.0792      2.00000
    113      -4.7563      2.00000
    114      -4.7375      2.00000
    115      -4.7267      2.00000
    116      -4.7117      2.00000
    117      -4.5534      2.00000
    118      -4.5272      2.00000
    119      -4.5076      2.00000
    120      -4.4998      2.00000
    121      -4.1147      2.00000
    122      -4.0869      2.00000
    123      -3.9187      2.00000
    124      -3.9017      2.00000
    125      -3.6363      2.00000
    126      -3.6130      2.00000
    127      -3.5687      2.00000
    128      -3.5595      2.00000
    129      -2.5501      2.00000
    130      -2.5415      2.00000
    131      -2.3531      2.00000
    132      -2.3340      2.00000
    133      -2.2704      2.00000
    134      -2.2249      2.00000
    135      -2.1585      2.00000
    136      -2.0913      2.00000
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    138      -1.9813      2.00000
    139      -1.8522      2.00000
    140      -1.8275      2.00000
    141      -1.8039      2.00000
    142      -1.7677      2.00000
    143      -1.6797      2.00000
    144      -1.6395      2.00000
    145      -1.4772      2.00000
    146      -1.4702      2.00000
    147      -1.4330      2.00000
    148      -1.4077      2.00000
    149      -1.3856      2.00000
    150      -1.3720      2.00000
    151      -1.3038      2.00000
    152      -1.2729      2.00000
    153      -1.2147      2.00000
    154      -1.2098      2.00000
    155      -1.1734      2.00000
    156      -1.1488      2.00000
    157      -1.1156      2.00000
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    159      -1.0222      2.00000
    160      -1.0016      2.00000
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    178      -0.0273      2.00000
    179       0.0055      2.00000
    180       0.0475      2.00000
    181       0.3606      2.00000
    182       0.3729      2.00000
    183       0.4393      2.00000
    184       0.4521      2.00000
    185       5.8409      0.00000
    186       5.9421      0.00000
    187       5.9856      0.00000
    188       6.0821      0.00000
    189       6.0946      0.00000
    190       6.1310      0.00000
    191       6.4342      0.00000
    192       6.5025      0.00000
    193       6.6547      0.00000
    194       6.7342      0.00000
    195       6.8360      0.00000
    196       6.8775      0.00000
    197       7.4876      0.00000
    198       7.5593      0.00000
    199       7.8723      0.00000
    200       8.0094      0.00000
    201       8.5681      0.00000
    202       8.6548      0.00000
    203       8.9765      0.00000
    204       9.0274      0.00000
    205       9.4360      0.00000
    206       9.4521      0.00000
    207       9.5562      0.00000
    208       9.7566      0.00000
    209       9.9093      0.00000
    210       9.9929      0.00000
    211      10.0004      0.00000
    212      10.1190      0.00000
    213      10.3110      0.00000
    214      10.3736      0.00000
    215      10.4480      0.00000
    216      10.5939      0.00000
    217      10.6194      0.00000
    218      10.6732      0.00000
    219      10.7081      0.00000
    220      10.7748      0.00000
    221      11.0047      0.00000
    222      11.0312      0.00000
    223      11.0976      0.00000
    224      11.1439      0.00000
    225      11.1510      0.00000
    226      11.1785      0.00000
    227      11.2487      0.00000
    228      11.2945      0.00000
    229      11.4389      0.00000
    230      11.5079      0.00000
    231      11.8126      0.00000
    232      11.8344      0.00000
    233      11.9793      0.00000
    234      12.0054      0.00000
    235      12.0672      0.00000
    236      12.0691      0.00000
    237      12.1816      0.00000
    238      12.2197      0.00000
    239      12.3125      0.00000
    240      12.3425      0.00000
    241      12.3959      0.00000
    242      12.4563      0.00000
    243      12.5391      0.00000
    244      12.6149      0.00000
    245      12.6311      0.00000
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    247      12.7721      0.00000
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    250      12.9220      0.00000
    251      13.0278      0.00000
    252      13.0813      0.00000
    253      13.1668      0.00000
    254      13.2014      0.00000
    255      13.3127      0.00000
    256      13.3585      0.00000

 k-point   137 :      -0.0000   -0.2857    0.3750
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2409      2.00000
     42     -21.2063      2.00000
     43     -21.1971      2.00000
     44     -21.1800      2.00000
     45     -20.9492      2.00000
     46     -20.9369      2.00000
     47     -20.9098      2.00000
     48     -20.9006      2.00000
     49     -19.3056      2.00000
     50     -19.2956      2.00000
     51     -19.2912      2.00000
     52     -19.2800      2.00000
     53     -18.6965      2.00000
     54     -18.6815      2.00000
     55     -18.6708      2.00000
     56     -18.6593      2.00000
     57     -18.2543      2.00000
     58     -18.2342      2.00000
     59     -18.1693      2.00000
     60     -18.1576      2.00000
     61     -18.1138      2.00000
     62     -18.1070      2.00000
     63     -18.0759      2.00000
     64     -18.0732      2.00000
     65     -17.8885      2.00000
     66     -17.8830      2.00000
     67     -17.8661      2.00000
     68     -17.8581      2.00000
     69     -17.7713      2.00000
     70     -17.7377      2.00000
     71     -17.6896      2.00000
     72     -17.6650      2.00000
     73     -17.3047      2.00000
     74     -17.3010      2.00000
     75     -17.2894      2.00000
     76     -17.2844      2.00000
     77      -8.0310      2.00000
     78      -7.8618      2.00000
     79      -7.7726      2.00000
     80      -7.7416      2.00000
     81      -7.6447      2.00000
     82      -7.5466      2.00000
     83      -7.4622      2.00000
     84      -7.4019      2.00000
     85      -7.1223      2.00000
     86      -7.0917      2.00000
     87      -7.0701      2.00000
     88      -7.0452      2.00000
     89      -6.5994      2.00000
     90      -6.5796      2.00000
     91      -6.5441      2.00000
     92      -6.5356      2.00000
     93      -6.2995      2.00000
     94      -6.2070      2.00000
     95      -6.1837      2.00000
     96      -6.1279      2.00000
     97      -5.9005      2.00000
     98      -5.8677      2.00000
     99      -5.7085      2.00000
    100      -5.6294      2.00000
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    113      -4.7657      2.00000
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    120      -4.4673      2.00000
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    122      -4.0627      2.00000
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    150      -1.3468      2.00000
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    184       0.4777      2.00000
    185       5.6939      0.00000
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    188       6.0786      0.00000
    189       6.0960      0.00000
    190       6.2425      0.00000
    191       6.4739      0.00000
    192       6.5526      0.00000
    193       6.5804      0.00000
    194       6.6363      0.00000
    195       6.8391      0.00000
    196       6.9658      0.00000
    197       7.3498      0.00000
    198       7.5842      0.00000
    199       8.0075      0.00000
    200       8.2016      0.00000
    201       8.6826      0.00000
    202       8.8518      0.00000
    203       9.0014      0.00000
    204       9.0940      0.00000
    205       9.2505      0.00000
    206       9.2912      0.00000
    207       9.4085      0.00000
    208       9.5713      0.00000
    209       9.7965      0.00000
    210       9.8222      0.00000
    211       9.8777      0.00000
    212      10.0457      0.00000
    213      10.2892      0.00000
    214      10.4653      0.00000
    215      10.4940      0.00000
    216      10.5482      0.00000
    217      10.5809      0.00000
    218      10.7158      0.00000
    219      10.8638      0.00000
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    222      11.0413      0.00000
    223      11.1050      0.00000
    224      11.1714      0.00000
    225      11.2118      0.00000
    226      11.2428      0.00000
    227      11.2906      0.00000
    228      11.2974      0.00000
    229      11.5857      0.00000
    230      11.6397      0.00000
    231      11.8058      0.00000
    232      11.8529      0.00000
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    234      12.0072      0.00000
    235      12.0441      0.00000
    236      12.1138      0.00000
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    238      12.2371      0.00000
    239      12.3067      0.00000
    240      12.3426      0.00000
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    242      12.4828      0.00000
    243      12.5176      0.00000
    244      12.5454      0.00000
    245      12.6070      0.00000
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    247      12.7581      0.00000
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    255      13.2672      0.00000
    256      13.2831      0.00000

 k-point   138 :       0.1667   -0.2857    0.3750
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2397      2.00000
     42     -21.2068      2.00000
     43     -21.1969      2.00000
     44     -21.1801      2.00000
     45     -20.9506      2.00000
     46     -20.9362      2.00000
     47     -20.9104      2.00000
     48     -20.9004      2.00000
     49     -19.3055      2.00000
     50     -19.2941      2.00000
     51     -19.2904      2.00000
     52     -19.2812      2.00000
     53     -18.6934      2.00000
     54     -18.6823      2.00000
     55     -18.6739      2.00000
     56     -18.6566      2.00000
     57     -18.2547      2.00000
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     59     -18.1750      2.00000
     60     -18.1571      2.00000
     61     -18.1159      2.00000
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     67     -17.8636      2.00000
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     70     -17.7377      2.00000
     71     -17.6890      2.00000
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     74     -17.2981      2.00000
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     76     -17.2877      2.00000
     77      -8.0466      2.00000
     78      -7.8712      2.00000
     79      -7.7624      2.00000
     80      -7.7226      2.00000
     81      -7.6382      2.00000
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     84      -7.4342      2.00000
     85      -7.1238      2.00000
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     87      -7.0691      2.00000
     88      -7.0452      2.00000
     89      -6.6268      2.00000
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     93      -6.2961      2.00000
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     95      -6.1884      2.00000
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     97      -5.9089      2.00000
     98      -5.8547      2.00000
     99      -5.7296      2.00000
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    106      -5.3416      2.00000
    107      -5.2727      2.00000
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    110      -5.1491      2.00000
    111      -5.0978      2.00000
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    114      -4.7637      2.00000
    115      -4.6841      2.00000
    116      -4.6791      2.00000
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    123      -3.9662      2.00000
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    150      -1.3546      2.00000
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    154      -1.2016      2.00000
    155      -1.1758      2.00000
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    159      -1.0403      2.00000
    160      -0.9985      2.00000
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    180       0.1188      2.00000
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    182       0.3704      2.00000
    183       0.4582      2.00000
    184       0.4808      2.00000
    185       5.8018      0.00000
    186       5.8984      0.00000
    187       6.0417      0.00000
    188       6.0872      0.00000
    189       6.0898      0.00000
    190       6.1871      0.00000
    191       6.3910      0.00000
    192       6.5310      0.00000
    193       6.5717      0.00000
    194       6.6102      0.00000
    195       6.8035      0.00000
    196       7.0238      0.00000
    197       7.2506      0.00000
    198       7.5038      0.00000
    199       8.0364      0.00000
    200       8.3958      0.00000
    201       8.8500      0.00000
    202       8.9201      0.00000
    203       9.0109      0.00000
    204       9.0732      0.00000
    205       9.1747      0.00000
    206       9.2628      0.00000
    207       9.4740      0.00000
    208       9.5239      0.00000
    209       9.6943      0.00000
    210       9.7074      0.00000
    211       9.8760      0.00000
    212      10.0922      0.00000
    213      10.2834      0.00000
    214      10.4356      0.00000
    215      10.5377      0.00000
    216      10.6073      0.00000
    217      10.6753      0.00000
    218      10.7758      0.00000
    219      10.8285      0.00000
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    223      11.0273      0.00000
    224      11.0852      0.00000
    225      11.2021      0.00000
    226      11.2074      0.00000
    227      11.3623      0.00000
    228      11.4113      0.00000
    229      11.5434      0.00000
    230      11.5938      0.00000
    231      11.6975      0.00000
    232      11.7742      0.00000
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    238      12.2422      0.00000
    239      12.2980      0.00000
    240      12.3801      0.00000
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    242      12.5023      0.00000
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    244      12.5980      0.00000
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    253      13.1340      0.00000
    254      13.1697      0.00000
    255      13.2759      0.00000
    256      13.3119      0.00000

 k-point   139 :       0.3333   -0.2857    0.3750
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2393      2.00000
     42     -21.2070      2.00000
     43     -21.1968      2.00000
     44     -21.1802      2.00000
     45     -20.9511      2.00000
     46     -20.9360      2.00000
     47     -20.9106      2.00000
     48     -20.9003      2.00000
     49     -19.3054      2.00000
     50     -19.2928      2.00000
     51     -19.2912      2.00000
     52     -19.2825      2.00000
     53     -18.6914      2.00000
     54     -18.6803      2.00000
     55     -18.6754      2.00000
     56     -18.6554      2.00000
     57     -18.2551      2.00000
     58     -18.2346      2.00000
     59     -18.1794      2.00000
     60     -18.1579      2.00000
     61     -18.1161      2.00000
     62     -18.1094      2.00000
     63     -18.0726      2.00000
     64     -18.0686      2.00000
     65     -17.8939      2.00000
     66     -17.8817      2.00000
     67     -17.8628      2.00000
     68     -17.8557      2.00000
     69     -17.7711      2.00000
     70     -17.7379      2.00000
     71     -17.6887      2.00000
     72     -17.6654      2.00000
     73     -17.3005      2.00000
     74     -17.2966      2.00000
     75     -17.2925      2.00000
     76     -17.2890      2.00000
     77      -8.0487      2.00000
     78      -7.8639      2.00000
     79      -7.7395      2.00000
     80      -7.6969      2.00000
     81      -7.6675      2.00000
     82      -7.5291      2.00000
     83      -7.4732      2.00000
     84      -7.4331      2.00000
     85      -7.1385      2.00000
     86      -7.1002      2.00000
     87      -7.0603      2.00000
     88      -7.0369      2.00000
     89      -6.6391      2.00000
     90      -6.5893      2.00000
     91      -6.5412      2.00000
     92      -6.5284      2.00000
     93      -6.2911      2.00000
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     95      -6.1889      2.00000
     96      -6.1180      2.00000
     97      -5.9013      2.00000
     98      -5.8346      2.00000
     99      -5.7309      2.00000
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    184       0.4830      2.00000
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    187       6.0720      0.00000
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    190       6.1624      0.00000
    191       6.2650      0.00000
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    203       9.0000      0.00000
    204       9.0697      0.00000
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    206       9.2586      0.00000
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    210       9.7753      0.00000
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    212      10.0714      0.00000
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    225      11.1418      0.00000
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    227      11.3790      0.00000
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    230      11.5085      0.00000
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    240      12.3787      0.00000
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    251      13.0117      0.00000
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    253      13.1606      0.00000
    254      13.2382      0.00000
    255      13.2463      0.00000
    256      13.3710      0.00000

 k-point   140 :       0.5000   -0.2857    0.3750
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2400      2.00000
     42     -21.2067      2.00000
     43     -21.1969      2.00000
     44     -21.1801      2.00000
     45     -20.9502      2.00000
     46     -20.9364      2.00000
     47     -20.9102      2.00000
     48     -20.9004      2.00000
     49     -19.3052      2.00000
     50     -19.2943      2.00000
     51     -19.2919      2.00000
     52     -19.2824      2.00000
     53     -18.6928      2.00000
     54     -18.6794      2.00000
     55     -18.6715      2.00000
     56     -18.6570      2.00000
     57     -18.2548      2.00000
     58     -18.2352      2.00000
     59     -18.1776      2.00000
     60     -18.1591      2.00000
     61     -18.1144      2.00000
     62     -18.1077      2.00000
     63     -18.0728      2.00000
     64     -18.0704      2.00000
     65     -17.8915      2.00000
     66     -17.8832      2.00000
     67     -17.8651      2.00000
     68     -17.8564      2.00000
     69     -17.7715      2.00000
     70     -17.7380      2.00000
     71     -17.6889      2.00000
     72     -17.6650      2.00000
     73     -17.3027      2.00000
     74     -17.2994      2.00000
     75     -17.2903      2.00000
     76     -17.2859      2.00000
     77      -8.0358      2.00000
     78      -7.8438      2.00000
     79      -7.7346      2.00000
     80      -7.7065      2.00000
     81      -7.6715      2.00000
     82      -7.5583      2.00000
     83      -7.4720      2.00000
     84      -7.4494      2.00000
     85      -7.1377      2.00000
     86      -7.1214      2.00000
     87      -7.0461      2.00000
     88      -7.0372      2.00000
     89      -6.6200      2.00000
     90      -6.5794      2.00000
     91      -6.5490      2.00000
     92      -6.5388      2.00000
     93      -6.2887      2.00000
     94      -6.2012      2.00000
     95      -6.1844      2.00000
     96      -6.1154      2.00000
     97      -5.8853      2.00000
     98      -5.8245      2.00000
     99      -5.7260      2.00000
    100      -5.6583      2.00000
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    103      -5.4407      2.00000
    104      -5.3760      2.00000
    105      -5.3318      2.00000
    106      -5.3277      2.00000
    107      -5.2865      2.00000
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    110      -5.1456      2.00000
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    112      -5.0353      2.00000
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    114      -4.7811      2.00000
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 k-point   141 :      -0.3333   -0.2857    0.3750
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     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
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     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2412      2.00000
     42     -21.2061      2.00000
     43     -21.1972      2.00000
     44     -21.1800      2.00000
     45     -20.9488      2.00000
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     47     -20.9096      2.00000
     48     -20.9006      2.00000
     49     -19.3052      2.00000
     50     -19.2949      2.00000
     51     -19.2938      2.00000
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     55     -18.6703      2.00000
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     59     -18.1720      2.00000
     60     -18.1596      2.00000
     61     -18.1122      2.00000
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     63     -18.0751      2.00000
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     65     -17.8878      2.00000
     66     -17.8847      2.00000
     67     -17.8678      2.00000
     68     -17.8578      2.00000
     69     -17.7717      2.00000
     70     -17.7380      2.00000
     71     -17.6895      2.00000
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     73     -17.3054      2.00000
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 k-point   142 :      -0.1667   -0.2857    0.3750
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     11     -39.2154      2.00000
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     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
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     20     -39.1844      2.00000
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     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
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     35     -38.5350      2.00000
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     41     -21.2416      2.00000
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     43     -21.1973      2.00000
     44     -21.1799      2.00000
     45     -20.9483      2.00000
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     47     -20.9094      2.00000
     48     -20.9007      2.00000
     49     -19.3055      2.00000
     50     -19.2955      2.00000
     51     -19.2932      2.00000
     52     -19.2799      2.00000
     53     -18.6977      2.00000
     54     -18.6774      2.00000
     55     -18.6708      2.00000
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     58     -18.2342      2.00000
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     60     -18.1588      2.00000
     61     -18.1117      2.00000
     62     -18.1052      2.00000
     63     -18.0770      2.00000
     64     -18.0740      2.00000
     65     -17.8864      2.00000
     66     -17.8849      2.00000
     67     -17.8680      2.00000
     68     -17.8586      2.00000
     69     -17.7716      2.00000
     70     -17.7378      2.00000
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    194       6.7327      0.00000
    195       6.8377      0.00000
    196       6.8595      0.00000
    197       7.4824      0.00000
    198       7.6725      0.00000
    199       7.8712      0.00000
    200       8.2137      0.00000
    201       8.5788      0.00000
    202       8.7706      0.00000
    203       8.9015      0.00000
    204       9.0637      0.00000
    205       9.2486      0.00000
    206       9.3519      0.00000
    207       9.4309      0.00000
    208       9.6434      0.00000
    209       9.7685      0.00000
    210       9.8895      0.00000
    211       9.9593      0.00000
    212      10.1301      0.00000
    213      10.3754      0.00000
    214      10.4225      0.00000
    215      10.4622      0.00000
    216      10.5431      0.00000
    217      10.6437      0.00000
    218      10.6897      0.00000
    219      10.7138      0.00000
    220      10.8469      0.00000
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    223      11.1345      0.00000
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    225      11.1831      0.00000
    226      11.2336      0.00000
    227      11.3001      0.00000
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    229      11.4719      0.00000
    230      11.6182      0.00000
    231      11.7924      0.00000
    232      11.8460      0.00000
    233      11.9702      0.00000
    234      11.9988      0.00000
    235      12.0784      0.00000
    236      12.0964      0.00000
    237      12.1963      0.00000
    238      12.2028      0.00000
    239      12.2621      0.00000
    240      12.3426      0.00000
    241      12.4048      0.00000
    242      12.4237      0.00000
    243      12.5236      0.00000
    244      12.5807      0.00000
    245      12.6210      0.00000
    246      12.7085      0.00000
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    249      12.8497      0.00000
    250      12.9544      0.00000
    251      13.0416      0.00000
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    253      13.1147      0.00000
    254      13.2241      0.00000
    255      13.2875      0.00000
    256      13.3168      0.00000

 k-point   143 :      -0.0000   -0.1429    0.3750
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2498      2.00000
     42     -21.2122      2.00000
     43     -21.1854      2.00000
     44     -21.1761      2.00000
     45     -20.9574      2.00000
     46     -20.9444      2.00000
     47     -20.9011      2.00000
     48     -20.8926      2.00000
     49     -19.3080      2.00000
     50     -19.2980      2.00000
     51     -19.2891      2.00000
     52     -19.2772      2.00000
     53     -18.7027      2.00000
     54     -18.6856      2.00000
     55     -18.6672      2.00000
     56     -18.6555      2.00000
     57     -18.2717      2.00000
     58     -18.2480      2.00000
     59     -18.1619      2.00000
     60     -18.1381      2.00000
     61     -18.1091      2.00000
     62     -18.1016      2.00000
     63     -18.0779      2.00000
     64     -18.0753      2.00000
     65     -17.8907      2.00000
     66     -17.8849      2.00000
     67     -17.8620      2.00000
     68     -17.8531      2.00000
     69     -17.7884      2.00000
     70     -17.7543      2.00000
     71     -17.6721      2.00000
     72     -17.6501      2.00000
     73     -17.3092      2.00000
     74     -17.3054      2.00000
     75     -17.2866      2.00000
     76     -17.2816      2.00000
     77      -8.0720      2.00000
     78      -7.8432      2.00000
     79      -7.8141      2.00000
     80      -7.7710      2.00000
     81      -7.6366      2.00000
     82      -7.5609      2.00000
     83      -7.3968      2.00000
     84      -7.3476      2.00000
     85      -7.1402      2.00000
     86      -7.1164      2.00000
     87      -7.0604      2.00000
     88      -7.0417      2.00000
     89      -6.6053      2.00000
     90      -6.5814      2.00000
     91      -6.5345      2.00000
     92      -6.5290      2.00000
     93      -6.3065      2.00000
     94      -6.1862      2.00000
     95      -6.1669      2.00000
     96      -6.0959      2.00000
     97      -5.9172      2.00000
     98      -5.8813      2.00000
     99      -5.7175      2.00000
    100      -5.6044      2.00000
    101      -5.5605      2.00000
    102      -5.5033      2.00000
    103      -5.4322      2.00000
    104      -5.4195      2.00000
    105      -5.3903      2.00000
    106      -5.3638      2.00000
    107      -5.3227      2.00000
    108      -5.2754      2.00000
    109      -5.1971      2.00000
    110      -5.1364      2.00000
    111      -5.0842      2.00000
    112      -5.0312      2.00000
    113      -4.7775      2.00000
    114      -4.7143      2.00000
    115      -4.7080      2.00000
    116      -4.6769      2.00000
    117      -4.5809      2.00000
    118      -4.5466      2.00000
    119      -4.4741      2.00000
    120      -4.4426      2.00000
    121      -4.1413      2.00000
    122      -4.0358      2.00000
    123      -3.9762      2.00000
    124      -3.8689      2.00000
    125      -3.6978      2.00000
    126      -3.6384      2.00000
    127      -3.5849      2.00000
    128      -3.5757      2.00000
    129      -2.6977      2.00000
    130      -2.6736      2.00000
    131      -2.4355      2.00000
    132      -2.3485      2.00000
    133      -2.2810      2.00000
    134      -2.2570      2.00000
    135      -2.1423      2.00000
    136      -2.0352      2.00000
    137      -2.0297      2.00000
    138      -1.9242      2.00000
    139      -1.8793      2.00000
    140      -1.8007      2.00000
    141      -1.7635      2.00000
    142      -1.7444      2.00000
    143      -1.6470      2.00000
    144      -1.5976      2.00000
    145      -1.5027      2.00000
    146      -1.4532      2.00000
    147      -1.4001      2.00000
    148      -1.3582      2.00000
    149      -1.3422      2.00000
    150      -1.3396      2.00000
    151      -1.3058      2.00000
    152      -1.2583      2.00000
    153      -1.2381      2.00000
    154      -1.2075      2.00000
    155      -1.1579      2.00000
    156      -1.1156      2.00000
    157      -1.0808      2.00000
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    159      -1.0145      2.00000
    160      -0.9949      2.00000
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    168      -0.6804      2.00000
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    177      -0.2295      2.00000
    178      -0.1186      2.00000
    179       0.1331      2.00000
    180       0.1481      2.00000
    181       0.3081      2.00000
    182       0.3429      2.00000
    183       0.4729      2.00000
    184       0.4968      2.00000
    185       5.5596      0.00000
    186       5.9118      0.00000
    187       5.9437      0.00000
    188       6.0765      0.00000
    189       6.0975      0.00000
    190       6.2140      0.00000
    191       6.5255      0.00000
    192       6.5513      0.00000
    193       6.5928      0.00000
    194       6.6247      0.00000
    195       6.8833      0.00000
    196       6.9841      0.00000
    197       7.4428      0.00000
    198       7.6671      0.00000
    199       8.1342      0.00000
    200       8.4415      0.00000
    201       8.6618      0.00000
    202       8.7759      0.00000
    203       8.9422      0.00000
    204       9.0665      0.00000
    205       9.1289      0.00000
    206       9.1660      0.00000
    207       9.3363      0.00000
    208       9.4500      0.00000
    209       9.6763      0.00000
    210       9.7420      0.00000
    211       9.8546      0.00000
    212       9.9610      0.00000
    213      10.3513      0.00000
    214      10.4412      0.00000
    215      10.4962      0.00000
    216      10.5224      0.00000
    217      10.6759      0.00000
    218      10.7721      0.00000
    219      10.7945      0.00000
    220      10.9666      0.00000
    221      10.9952      0.00000
    222      11.0819      0.00000
    223      11.1479      0.00000
    224      11.1702      0.00000
    225      11.2105      0.00000
    226      11.3119      0.00000
    227      11.3323      0.00000
    228      11.3864      0.00000
    229      11.6426      0.00000
    230      11.7644      0.00000
    231      11.7914      0.00000
    232      11.8827      0.00000
    233      11.9000      0.00000
    234      12.0321      0.00000
    235      12.0769      0.00000
    236      12.1544      0.00000
    237      12.1578      0.00000
    238      12.2571      0.00000
    239      12.2742      0.00000
    240      12.2966      0.00000
    241      12.4102      0.00000
    242      12.4557      0.00000
    243      12.4855      0.00000
    244      12.5537      0.00000
    245      12.6114      0.00000
    246      12.7037      0.00000
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    250      12.9746      0.00000
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    253      13.0922      0.00000
    254      13.1506      0.00000
    255      13.2481      0.00000
    256      13.3317      0.00000

 k-point   144 :       0.1667   -0.1429    0.3750
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2484      2.00000
     42     -21.2129      2.00000
     43     -21.1854      2.00000
     44     -21.1762      2.00000
     45     -20.9589      2.00000
     46     -20.9436      2.00000
     47     -20.9016      2.00000
     48     -20.8925      2.00000
     49     -19.3082      2.00000
     50     -19.2955      2.00000
     51     -19.2884      2.00000
     52     -19.2792      2.00000
     53     -18.6984      2.00000
     54     -18.6876      2.00000
     55     -18.6714      2.00000
     56     -18.6516      2.00000
     57     -18.2713      2.00000
     58     -18.2488      2.00000
     59     -18.1685      2.00000
     60     -18.1393      2.00000
     61     -18.1103      2.00000
     62     -18.1030      2.00000
     63     -18.0758      2.00000
     64     -18.0716      2.00000
     65     -17.8951      2.00000
     66     -17.8811      2.00000
     67     -17.8601      2.00000
     68     -17.8527      2.00000
     69     -17.7886      2.00000
     70     -17.7540      2.00000
     71     -17.6716      2.00000
     72     -17.6504      2.00000
     73     -17.3049      2.00000
     74     -17.3011      2.00000
     75     -17.2904      2.00000
     76     -17.2859      2.00000
     77      -8.0886      2.00000
     78      -7.8496      2.00000
     79      -7.8043      2.00000
     80      -7.7499      2.00000
     81      -7.6518      2.00000
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     83      -7.3864      2.00000
     84      -7.3725      2.00000
     85      -7.1403      2.00000
     86      -7.1177      2.00000
     87      -7.0586      2.00000
     88      -7.0431      2.00000
     89      -6.6340      2.00000
     90      -6.5663      2.00000
     91      -6.5536      2.00000
     92      -6.5222      2.00000
     93      -6.3042      2.00000
     94      -6.1926      2.00000
     95      -6.1681      2.00000
     96      -6.0965      2.00000
     97      -5.9310      2.00000
     98      -5.8688      2.00000
     99      -5.7230      2.00000
    100      -5.5806      2.00000
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    103      -5.4503      2.00000
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    106      -5.3591      2.00000
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    110      -5.1259      2.00000
    111      -5.0745      2.00000
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    113      -4.7970      2.00000
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    115      -4.6882      2.00000
    116      -4.6827      2.00000
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    120      -4.4087      2.00000
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    123      -3.9916      2.00000
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    125      -3.6714      2.00000
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    128      -3.5465      2.00000
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    130      -2.6681      2.00000
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    134      -2.2511      2.00000
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    180       0.1621      2.00000
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    182       0.3570      2.00000
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    184       0.4991      2.00000
    185       5.7048      0.00000
    186       5.8529      0.00000
    187       5.9930      0.00000
    188       6.0814      0.00000
    189       6.0950      0.00000
    190       6.1549      0.00000
    191       6.3729      0.00000
    192       6.5355      0.00000
    193       6.5542      0.00000
    194       6.5978      0.00000
    195       6.8319      0.00000
    196       7.1509      0.00000
    197       7.4018      0.00000
    198       7.7200      0.00000
    199       8.0822      0.00000
    200       8.4931      0.00000
    201       8.7696      0.00000
    202       8.8969      0.00000
    203       8.9121      0.00000
    204       8.9855      0.00000
    205       9.1138      0.00000
    206       9.1772      0.00000
    207       9.3535      0.00000
    208       9.4569      0.00000
    209       9.6256      0.00000
    210       9.6901      0.00000
    211       9.8718      0.00000
    212       9.9496      0.00000
    213      10.3699      0.00000
    214      10.4559      0.00000
    215      10.4654      0.00000
    216      10.5742      0.00000
    217      10.7039      0.00000
    218      10.8471      0.00000
    219      10.8581      0.00000
    220      10.8846      0.00000
    221      10.9600      0.00000
    222      10.9777      0.00000
    223      11.0729      0.00000
    224      11.1558      0.00000
    225      11.2148      0.00000
    226      11.3127      0.00000
    227      11.3775      0.00000
    228      11.4502      0.00000
    229      11.6113      0.00000
    230      11.6820      0.00000
    231      11.7474      0.00000
    232      11.7752      0.00000
    233      11.8849      0.00000
    234      12.0359      0.00000
    235      12.1047      0.00000
    236      12.1649      0.00000
    237      12.2008      0.00000
    238      12.2496      0.00000
    239      12.3030      0.00000
    240      12.3313      0.00000
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    242      12.4894      0.00000
    243      12.5425      0.00000
    244      12.5927      0.00000
    245      12.6140      0.00000
    246      12.6833      0.00000
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    249      12.8340      0.00000
    250      12.9441      0.00000
    251      12.9892      0.00000
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    253      13.1372      0.00000
    254      13.2013      0.00000
    255      13.2392      0.00000
    256      13.3373      0.00000

 k-point   145 :       0.3333   -0.1429    0.3750
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
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    256      13.3262      0.00000

 k-point   146 :       0.5000   -0.1429    0.3750
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
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      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
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     11     -39.2154      2.00000
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     16     -39.2060      2.00000
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     18     -39.2006      2.00000
     19     -39.1846      2.00000
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     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2487      2.00000
     42     -21.2127      2.00000
     43     -21.1854      2.00000
     44     -21.1762      2.00000
     45     -20.9585      2.00000
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     47     -20.9015      2.00000
     48     -20.8925      2.00000
     49     -19.3074      2.00000
     50     -19.2952      2.00000
     51     -19.2907      2.00000
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     53     -18.6979      2.00000
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     55     -18.6688      2.00000
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     59     -18.1700      2.00000
     60     -18.1401      2.00000
     61     -18.1089      2.00000
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     63     -18.0742      2.00000
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     65     -17.8935      2.00000
     66     -17.8829      2.00000
     67     -17.8621      2.00000
     68     -17.8532      2.00000
     69     -17.7886      2.00000
     70     -17.7545      2.00000
     71     -17.6715      2.00000
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     89      -6.6268      2.00000
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 k-point   147 :      -0.3333   -0.1429    0.3750
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      2     -72.4432      2.00000
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      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2501      2.00000
     42     -21.2120      2.00000
     43     -21.1855      2.00000
     44     -21.1761      2.00000
     45     -20.9570      2.00000
     46     -20.9445      2.00000
     47     -20.9010      2.00000
     48     -20.8926      2.00000
     49     -19.3072      2.00000
     50     -19.2979      2.00000
     51     -19.2916      2.00000
     52     -19.2784      2.00000
     53     -18.7021      2.00000
     54     -18.6807      2.00000
     55     -18.6654      2.00000
     56     -18.6568      2.00000
     57     -18.2728      2.00000
     58     -18.2500      2.00000
     59     -18.1637      2.00000
     60     -18.1390      2.00000
     61     -18.1077      2.00000
     62     -18.1009      2.00000
     63     -18.0767      2.00000
     64     -18.0742      2.00000
     65     -17.8890      2.00000
     66     -17.8867      2.00000
     67     -17.8640      2.00000
     68     -17.8537      2.00000
     69     -17.7884      2.00000
     70     -17.7549      2.00000
     71     -17.6719      2.00000
     72     -17.6497      2.00000
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     77      -8.0612      2.00000
     78      -7.8086      2.00000
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     80      -7.7663      2.00000
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     84      -7.3676      2.00000
     85      -7.1376      2.00000
     86      -7.1029      2.00000
     87      -7.0603      2.00000
     88      -7.0509      2.00000
     89      -6.5986      2.00000
     90      -6.5792      2.00000
     91      -6.5404      2.00000
     92      -6.5350      2.00000
     93      -6.3078      2.00000
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     95      -6.1621      2.00000
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     99      -5.7050      2.00000
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    106      -5.3527      2.00000
    107      -5.3162      2.00000
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    110      -5.1339      2.00000
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    114      -4.7992      2.00000
    115      -4.7507      2.00000
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    122      -4.0148      2.00000
    123      -3.9584      2.00000
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    150      -1.3484      2.00000
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    160      -1.0038      2.00000
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    190       6.1865      0.00000
    191       6.5285      0.00000
    192       6.5821      0.00000
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    204       9.0529      0.00000
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    206       9.1814      0.00000
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    216      10.5006      0.00000
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    218      10.7296      0.00000
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    232      11.7943      0.00000
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    256      13.3486      0.00000

 k-point   148 :      -0.1667   -0.1429    0.3750
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2506      2.00000
     42     -21.2118      2.00000
     43     -21.1855      2.00000
     44     -21.1761      2.00000
     45     -20.9564      2.00000
     46     -20.9448      2.00000
     47     -20.9008      2.00000
     48     -20.8927      2.00000
     49     -19.3076      2.00000
     50     -19.2990      2.00000
     51     -19.2908      2.00000
     52     -19.2769      2.00000
     53     -18.7042      2.00000
     54     -18.6815      2.00000
     55     -18.6651      2.00000
     56     -18.6581      2.00000
     57     -18.2724      2.00000
     58     -18.2485      2.00000
     59     -18.1598      2.00000
     60     -18.1380      2.00000
     61     -18.1075      2.00000
     62     -18.1005      2.00000
     63     -18.0794      2.00000
     64     -18.0755      2.00000
     65     -17.8882      2.00000
     66     -17.8874      2.00000
     67     -17.8638      2.00000
     68     -17.8537      2.00000
     69     -17.7883      2.00000
     70     -17.7548      2.00000
     71     -17.6722      2.00000
     72     -17.6497      2.00000
     73     -17.3114      2.00000
     74     -17.3076      2.00000
     75     -17.2845      2.00000
     76     -17.2793      2.00000
     77      -8.0572      2.00000
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     79      -7.8062      2.00000
     80      -7.7774      2.00000
     81      -7.6527      2.00000
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     83      -7.4264      2.00000
     84      -7.3382      2.00000
     85      -7.1446      2.00000
     86      -7.0961      2.00000
     87      -7.0713      2.00000
     88      -7.0439      2.00000
     89      -6.5921      2.00000
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     91      -6.5391      2.00000
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     93      -6.3088      2.00000
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     96      -6.0899      2.00000
     97      -5.8988      2.00000
     98      -5.8805      2.00000
     99      -5.7002      2.00000
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    186       5.9140      0.00000
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    190       6.2488      0.00000
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    212      10.0286      0.00000
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    250      12.9733      0.00000
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    256      13.3172      0.00000

 k-point   149 :      -0.0000    0.0000    0.5000
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2338      2.00000
     42     -21.2337      2.00000
     43     -21.1779      2.00000
     44     -21.1778      2.00000
     45     -20.9539      2.00000
     46     -20.9538      2.00000
     47     -20.8940      2.00000
     48     -20.8938      2.00000
     49     -19.3033      2.00000
     50     -19.3032      2.00000
     51     -19.2821      2.00000
     52     -19.2820      2.00000
     53     -18.6967      2.00000
     54     -18.6967      2.00000
     55     -18.6609      2.00000
     56     -18.6609      2.00000
     57     -18.2675      2.00000
     58     -18.2674      2.00000
     59     -18.1389      2.00000
     60     -18.1388      2.00000
     61     -18.1018      2.00000
     62     -18.1017      2.00000
     63     -18.0842      2.00000
     64     -18.0841      2.00000
     65     -17.8883      2.00000
     66     -17.8881      2.00000
     67     -17.8533      2.00000
     68     -17.8529      2.00000
     69     -17.7801      2.00000
     70     -17.7796      2.00000
     71     -17.6552      2.00000
     72     -17.6551      2.00000
     73     -17.3058      2.00000
     74     -17.3058      2.00000
     75     -17.2854      2.00000
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     77      -7.9520      2.00000
     78      -7.9519      2.00000
     79      -7.8215      2.00000
     80      -7.8214      2.00000
     81      -7.6025      2.00000
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     83      -7.3539      2.00000
     84      -7.3538      2.00000
     85      -7.1410      2.00000
     86      -7.1407      2.00000
     87      -7.0480      2.00000
     88      -7.0477      2.00000
     89      -6.5955      2.00000
     90      -6.5954      2.00000
     91      -6.5314      2.00000
     92      -6.5312      2.00000
     93      -6.2369      2.00000
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     95      -6.1161      2.00000
     96      -6.1159      2.00000
     97      -5.9103      2.00000
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     99      -5.6449      2.00000
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    123      -3.9300      2.00000
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    174      -0.5235      2.00000
    175      -0.3086      2.00000
    176      -0.3085      2.00000
    177      -0.1994      2.00000
    178      -0.1991      2.00000
    179       0.1509      2.00000
    180       0.1511      2.00000
    181       0.3193      2.00000
    182       0.3194      2.00000
    183       0.4940      2.00000
    184       0.4942      2.00000
    185       5.7813      0.00000
    186       5.7813      0.00000
    187       6.0314      0.00000
    188       6.0318      0.00000
    189       6.0912      0.00000
    190       6.0914      0.00000
    191       6.4668      0.00000
    192       6.4670      0.00000
    193       6.6561      0.00000
    194       6.6567      0.00000
    195       6.8880      0.00000
    196       6.8882      0.00000
    197       7.6424      0.00000
    198       7.6425      0.00000
    199       8.3939      0.00000
    200       8.3940      0.00000
    201       8.8158      0.00000
    202       8.8163      0.00000
    203       8.8957      0.00000
    204       8.8961      0.00000
    205       9.0731      0.00000
    206       9.0740      0.00000
    207       9.4624      0.00000
    208       9.4627      0.00000
    209       9.5501      0.00000
    210       9.5503      0.00000
    211       9.8322      0.00000
    212       9.8323      0.00000
    213      10.4432      0.00000
    214      10.4433      0.00000
    215      10.4803      0.00000
    216      10.4808      0.00000
    217      10.8257      0.00000
    218      10.8259      0.00000
    219      10.9265      0.00000
    220      10.9265      0.00000
    221      10.9601      0.00000
    222      10.9608      0.00000
    223      11.1103      0.00000
    224      11.1114      0.00000
    225      11.2654      0.00000
    226      11.2659      0.00000
    227      11.3785      0.00000
    228      11.3791      0.00000
    229      11.7465      0.00000
    230      11.7468      0.00000
    231      11.8513      0.00000
    232      11.8515      0.00000
    233      11.9851      0.00000
    234      11.9868      0.00000
    235      12.1366      0.00000
    236      12.1376      0.00000
    237      12.2016      0.00000
    238      12.2020      0.00000
    239      12.2649      0.00000
    240      12.2651      0.00000
    241      12.4601      0.00000
    242      12.4603      0.00000
    243      12.5307      0.00000
    244      12.5315      0.00000
    245      12.5966      0.00000
    246      12.5969      0.00000
    247      12.7352      0.00000
    248      12.7356      0.00000
    249      12.9314      0.00000
    250      12.9318      0.00000
    251      13.0374      0.00000
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    253      13.1243      0.00000
    254      13.1245      0.00000
    255      13.2436      0.00000
    256      13.2443      0.00000

 k-point   150 :       0.1667    0.0000    0.5000
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2347      2.00000
     42     -21.2328      2.00000
     43     -21.1780      2.00000
     44     -21.1778      2.00000
     45     -20.9549      2.00000
     46     -20.9527      2.00000
     47     -20.8941      2.00000
     48     -20.8937      2.00000
     49     -19.3043      2.00000
     50     -19.3015      2.00000
     51     -19.2842      2.00000
     52     -19.2813      2.00000
     53     -18.6984      2.00000
     54     -18.6926      2.00000
     55     -18.6650      2.00000
     56     -18.6572      2.00000
     57     -18.2688      2.00000
     58     -18.2671      2.00000
     59     -18.1411      2.00000
     60     -18.1386      2.00000
     61     -18.1045      2.00000
     62     -18.0984      2.00000
     63     -18.0833      2.00000
     64     -18.0830      2.00000
     65     -17.8928      2.00000
     66     -17.8836      2.00000
     67     -17.8540      2.00000
     68     -17.8532      2.00000
     69     -17.7807      2.00000
     70     -17.7792      2.00000
     71     -17.6554      2.00000
     72     -17.6547      2.00000
     73     -17.3060      2.00000
     74     -17.3060      2.00000
     75     -17.2852      2.00000
     76     -17.2850      2.00000
     77      -7.9634      2.00000
     78      -7.9321      2.00000
     79      -7.8263      2.00000
     80      -7.8004      2.00000
     81      -7.6424      2.00000
     82      -7.5803      2.00000
     83      -7.3948      2.00000
     84      -7.3324      2.00000
     85      -7.1385      2.00000
     86      -7.1282      2.00000
     87      -7.0545      2.00000
     88      -7.0501      2.00000
     89      -6.6183      2.00000
     90      -6.5736      2.00000
     91      -6.5480      2.00000
     92      -6.5183      2.00000
     93      -6.2392      2.00000
     94      -6.2366      2.00000
     95      -6.1140      2.00000
     96      -6.1118      2.00000
     97      -5.9177      2.00000
     98      -5.8952      2.00000
     99      -5.6377      2.00000
    100      -5.6269      2.00000
    101      -5.5014      2.00000
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    103      -5.4492      2.00000
    104      -5.4385      2.00000
    105      -5.3944      2.00000
    106      -5.3936      2.00000
    107      -5.3551      2.00000
    108      -5.2856      2.00000
    109      -5.1885      2.00000
    110      -5.1427      2.00000
    111      -5.0752      2.00000
    112      -5.0006      2.00000
    113      -4.7878      2.00000
    114      -4.7453      2.00000
    115      -4.7228      2.00000
    116      -4.6910      2.00000
    117      -4.6298      2.00000
    118      -4.5123      2.00000
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    120      -4.4198      2.00000
    121      -4.0873      2.00000
    122      -4.0478      2.00000
    123      -3.9450      2.00000
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    125      -3.7120      2.00000
    126      -3.6526      2.00000
    127      -3.6240      2.00000
    128      -3.5480      2.00000
    129      -2.7308      2.00000
    130      -2.7079      2.00000
    131      -2.4058      2.00000
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    134      -2.2258      2.00000
    135      -2.0613      2.00000
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    139      -1.8923      2.00000
    140      -1.8269      2.00000
    141      -1.7486      2.00000
    142      -1.7370      2.00000
    143      -1.6422      2.00000
    144      -1.6060      2.00000
    145      -1.5038      2.00000
    146      -1.4670      2.00000
    147      -1.4393      2.00000
    148      -1.3640      2.00000
    149      -1.3500      2.00000
    150      -1.3060      2.00000
    151      -1.2883      2.00000
    152      -1.2670      2.00000
    153      -1.2630      2.00000
    154      -1.1801      2.00000
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    156      -1.1166      2.00000
    157      -1.0886      2.00000
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    159      -1.0353      2.00000
    160      -1.0130      2.00000
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    180       0.1663      2.00000
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    182       0.3370      2.00000
    183       0.4927      2.00000
    184       0.4962      2.00000
    185       5.6849      0.00000
    186       5.8852      0.00000
    187       5.9975      0.00000
    188       6.0690      0.00000
    189       6.0832      0.00000
    190       6.1861      0.00000
    191       6.3790      0.00000
    192       6.4890      0.00000
    193       6.5621      0.00000
    194       6.6596      0.00000
    195       6.7673      0.00000
    196       7.0491      0.00000
    197       7.5956      0.00000
    198       7.8336      0.00000
    199       8.2451      0.00000
    200       8.3224      0.00000
    201       8.7624      0.00000
    202       8.7788      0.00000
    203       8.9035      0.00000
    204       8.9595      0.00000
    205       9.1155      0.00000
    206       9.3137      0.00000
    207       9.3675      0.00000
    208       9.4698      0.00000
    209       9.4848      0.00000
    210       9.5815      0.00000
    211       9.6979      0.00000
    212       9.9103      0.00000
    213      10.4340      0.00000
    214      10.4991      0.00000
    215      10.5043      0.00000
    216      10.5617      0.00000
    217      10.6951      0.00000
    218      10.7836      0.00000
    219      10.8575      0.00000
    220      10.9714      0.00000
    221      10.9931      0.00000
    222      11.0189      0.00000
    223      11.0317      0.00000
    224      11.2030      0.00000
    225      11.2307      0.00000
    226      11.3051      0.00000
    227      11.3749      0.00000
    228      11.4284      0.00000
    229      11.6816      0.00000
    230      11.6928      0.00000
    231      11.7255      0.00000
    232      11.8542      0.00000
    233      11.9247      0.00000
    234      12.0416      0.00000
    235      12.1099      0.00000
    236      12.1345      0.00000
    237      12.2051      0.00000
    238      12.2540      0.00000
    239      12.2884      0.00000
    240      12.3470      0.00000
    241      12.3607      0.00000
    242      12.4630      0.00000
    243      12.5468      0.00000
    244      12.5574      0.00000
    245      12.6072      0.00000
    246      12.6644      0.00000
    247      12.7337      0.00000
    248      12.7657      0.00000
    249      12.7849      0.00000
    250      12.9331      0.00000
    251      13.0350      0.00000
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    253      13.1638      0.00000
    254      13.2045      0.00000
    255      13.2383      0.00000
    256      13.3300      0.00000

 k-point   151 :       0.3333    0.0000    0.5000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2347      2.00000
     42     -21.2328      2.00000
     43     -21.1780      2.00000
     44     -21.1779      2.00000
     45     -20.9549      2.00000
     46     -20.9527      2.00000
     47     -20.8941      2.00000
     48     -20.8937      2.00000
     49     -19.3038      2.00000
     50     -19.3007      2.00000
     51     -19.2857      2.00000
     52     -19.2826      2.00000
     53     -18.6967      2.00000
     54     -18.6906      2.00000
     55     -18.6650      2.00000
     56     -18.6568      2.00000
     57     -18.2701      2.00000
     58     -18.2684      2.00000
     59     -18.1425      2.00000
     60     -18.1398      2.00000
     61     -18.1041      2.00000
     62     -18.0988      2.00000
     63     -18.0819      2.00000
     64     -18.0809      2.00000
     65     -17.8927      2.00000
     66     -17.8833      2.00000
     67     -17.8550      2.00000
     68     -17.8543      2.00000
     69     -17.7807      2.00000
     70     -17.7793      2.00000
     71     -17.6552      2.00000
     72     -17.6545      2.00000
     73     -17.3064      2.00000
     74     -17.3063      2.00000
     75     -17.2845      2.00000
     76     -17.2844      2.00000
     77      -7.9576      2.00000
     78      -7.9250      2.00000
     79      -7.8125      2.00000
     80      -7.7798      2.00000
     81      -7.6631      2.00000
     82      -7.5960      2.00000
     83      -7.4156      2.00000
     84      -7.3515      2.00000
     85      -7.1261      2.00000
     86      -7.1142      2.00000
     87      -7.0606      2.00000
     88      -7.0582      2.00000
     89      -6.6171      2.00000
     90      -6.5712      2.00000
     91      -6.5512      2.00000
     92      -6.5249      2.00000
     93      -6.2401      2.00000
     94      -6.2376      2.00000
     95      -6.1104      2.00000
     96      -6.1076      2.00000
     97      -5.9068      2.00000
     98      -5.8873      2.00000
     99      -5.6179      2.00000
    100      -5.6041      2.00000
    101      -5.5121      2.00000
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    105      -5.4159      2.00000
    106      -5.3857      2.00000
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    110      -5.1532      2.00000
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    114      -4.7904      2.00000
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    120      -4.4215      2.00000
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    122      -4.0237      2.00000
    123      -3.9585      2.00000
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    185       5.6907      0.00000
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    213      10.3803      0.00000
    214      10.4962      0.00000
    215      10.5239      0.00000
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    221      11.0028      0.00000
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    227      11.4335      0.00000
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    236      12.1291      0.00000
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    245      12.6333      0.00000
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    247      12.7826      0.00000
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    249      12.8341      0.00000
    250      12.9542      0.00000
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    255      13.3242      0.00000
    256      13.3670      0.00000

 k-point   152 :       0.5000    0.0000    0.5000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2338      2.00000
     42     -21.2337      2.00000
     43     -21.1780      2.00000
     44     -21.1779      2.00000
     45     -20.9538      2.00000
     46     -20.9537      2.00000
     47     -20.8940      2.00000
     48     -20.8938      2.00000
     49     -19.3022      2.00000
     50     -19.3020      2.00000
     51     -19.2848      2.00000
     52     -19.2846      2.00000
     53     -18.6932      2.00000
     54     -18.6931      2.00000
     55     -18.6604      2.00000
     56     -18.6603      2.00000
     57     -18.2700      2.00000
     58     -18.2699      2.00000
     59     -18.1415      2.00000
     60     -18.1414      2.00000
     61     -18.1017      2.00000
     62     -18.1016      2.00000
     63     -18.0808      2.00000
     64     -18.0807      2.00000
     65     -17.8878      2.00000
     66     -17.8877      2.00000
     67     -17.8554      2.00000
     68     -17.8549      2.00000
     69     -17.7803      2.00000
     70     -17.7798      2.00000
     71     -17.6549      2.00000
     72     -17.6548      2.00000
     73     -17.3066      2.00000
     74     -17.3065      2.00000
     75     -17.2842      2.00000
     76     -17.2841      2.00000
     77      -7.9393      2.00000
     78      -7.9392      2.00000
     79      -7.7889      2.00000
     80      -7.7888      2.00000
     81      -7.6369      2.00000
     82      -7.6366      2.00000
     83      -7.3938      2.00000
     84      -7.3936      2.00000
     85      -7.1144      2.00000
     86      -7.1141      2.00000
     87      -7.0624      2.00000
     88      -7.0619      2.00000
     89      -6.5924      2.00000
     90      -6.5921      2.00000
     91      -6.5409      2.00000
     92      -6.5406      2.00000
     93      -6.2389      2.00000
     94      -6.2388      2.00000
     95      -6.1081      2.00000
     96      -6.1079      2.00000
     97      -5.8909      2.00000
     98      -5.8908      2.00000
     99      -5.6099      2.00000
    100      -5.6097      2.00000
    101      -5.5041      2.00000
    102      -5.5039      2.00000
    103      -5.4368      2.00000
    104      -5.4366      2.00000
    105      -5.4141      2.00000
    106      -5.4140      2.00000
    107      -5.2815      2.00000
    108      -5.2812      2.00000
    109      -5.1668      2.00000
    110      -5.1666      2.00000
    111      -5.0008      2.00000
    112      -5.0007      2.00000
    113      -4.8398      2.00000
    114      -4.8397      2.00000
    115      -4.7518      2.00000
    116      -4.7516      2.00000
    117      -4.5578      2.00000
    118      -4.5571      2.00000
    119      -4.4438      2.00000
    120      -4.4436      2.00000
    121      -4.0350      2.00000
    122      -4.0345      2.00000
    123      -3.9500      2.00000
    124      -3.9495      2.00000
    125      -3.6944      2.00000
    126      -3.6942      2.00000
    127      -3.5693      2.00000
    128      -3.5691      2.00000
    129      -2.7017      2.00000
    130      -2.7015      2.00000
    131      -2.4373      2.00000
    132      -2.4372      2.00000
    133      -2.2327      2.00000
    134      -2.2326      2.00000
    135      -1.9841      2.00000
    136      -1.9838      2.00000
    137      -1.8953      2.00000
    138      -1.8949      2.00000
    139      -1.8684      2.00000
    140      -1.8683      2.00000
    141      -1.7680      2.00000
    142      -1.7676      2.00000
    143      -1.6509      2.00000
    144      -1.6507      2.00000
    145      -1.5044      2.00000
    146      -1.5040      2.00000
    147      -1.4166      2.00000
    148      -1.4164      2.00000
    149      -1.3623      2.00000
    150      -1.3622      2.00000
    151      -1.3129      2.00000
    152      -1.3128      2.00000
    153      -1.1698      2.00000
    154      -1.1695      2.00000
    155      -1.1099      2.00000
    156      -1.1099      2.00000
    157      -1.0746      2.00000
    158      -1.0745      2.00000
    159      -1.0131      2.00000
    160      -1.0129      2.00000
    161      -0.9504      2.00000
    162      -0.9503      2.00000
    163      -0.7781      2.00000
    164      -0.7780      2.00000
    165      -0.7498      2.00000
    166      -0.7495      2.00000
    167      -0.7016      2.00000
    168      -0.7016      2.00000
    169      -0.6467      2.00000
    170      -0.6465      2.00000
    171      -0.5853      2.00000
    172      -0.5847      2.00000
    173      -0.5118      2.00000
    174      -0.5117      2.00000
    175      -0.3058      2.00000
    176      -0.3056      2.00000
    177      -0.1981      2.00000
    178      -0.1980      2.00000
    179       0.1373      2.00000
    180       0.1375      2.00000
    181       0.3378      2.00000
    182       0.3379      2.00000
    183       0.4956      2.00000
    184       0.4956      2.00000
    185       5.8065      0.00000
    186       5.8067      0.00000
    187       5.9829      0.00000
    188       5.9831      0.00000
    189       6.0945      0.00000
    190       6.0949      0.00000
    191       6.4915      0.00000
    192       6.4917      0.00000
    193       6.6538      0.00000
    194       6.6540      0.00000
    195       6.8667      0.00000
    196       6.8671      0.00000
    197       7.6746      0.00000
    198       7.6748      0.00000
    199       8.3501      0.00000
    200       8.3506      0.00000
    201       8.7938      0.00000
    202       8.7939      0.00000
    203       8.9741      0.00000
    204       8.9744      0.00000
    205       9.1032      0.00000
    206       9.1037      0.00000
    207       9.2596      0.00000
    208       9.2599      0.00000
    209       9.6495      0.00000
    210       9.6498      0.00000
    211      10.0096      0.00000
    212      10.0097      0.00000
    213      10.3307      0.00000
    214      10.3310      0.00000
    215      10.5130      0.00000
    216      10.5134      0.00000
    217      10.7727      0.00000
    218      10.7729      0.00000
    219      10.9152      0.00000
    220      10.9155      0.00000
    221      11.0312      0.00000
    222      11.0314      0.00000
    223      11.0741      0.00000
    224      11.0744      0.00000
    225      11.2538      0.00000
    226      11.2552      0.00000
    227      11.5048      0.00000
    228      11.5052      0.00000
    229      11.6732      0.00000
    230      11.6738      0.00000
    231      11.7383      0.00000
    232      11.7386      0.00000
    233      11.8595      0.00000
    234      11.8596      0.00000
    235      11.9908      0.00000
    236      11.9912      0.00000
    237      12.2144      0.00000
    238      12.2147      0.00000
    239      12.2764      0.00000
    240      12.2778      0.00000
    241      12.5153      0.00000
    242      12.5154      0.00000
    243      12.5590      0.00000
    244      12.5603      0.00000
    245      12.6789      0.00000
    246      12.6790      0.00000
    247      12.7358      0.00000
    248      12.7364      0.00000
    249      12.9901      0.00000
    250      12.9902      0.00000
    251      13.1105      0.00000
    252      13.1111      0.00000
    253      13.1885      0.00000
    254      13.1893      0.00000
    255      13.3757      0.00000
    256      13.3768      0.00000

 k-point   153 :      -0.0000    0.1429    0.5000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2311      2.00000
     42     -21.2311      2.00000
     43     -21.1808      2.00000
     44     -21.1807      2.00000
     45     -20.9511      2.00000
     46     -20.9510      2.00000
     47     -20.8970      2.00000
     48     -20.8968      2.00000
     49     -19.3023      2.00000
     50     -19.3022      2.00000
     51     -19.2831      2.00000
     52     -19.2829      2.00000
     53     -18.6947      2.00000
     54     -18.6947      2.00000
     55     -18.6623      2.00000
     56     -18.6622      2.00000
     57     -18.2618      2.00000
     58     -18.2617      2.00000
     59     -18.1449      2.00000
     60     -18.1447      2.00000
     61     -18.1010      2.00000
     62     -18.1009      2.00000
     63     -18.0851      2.00000
     64     -18.0850      2.00000
     65     -17.8874      2.00000
     66     -17.8873      2.00000
     67     -17.8559      2.00000
     68     -17.8555      2.00000
     69     -17.7732      2.00000
     70     -17.7728      2.00000
     71     -17.6611      2.00000
     72     -17.6610      2.00000
     73     -17.3044      2.00000
     74     -17.3044      2.00000
     75     -17.2861      2.00000
     76     -17.2860      2.00000
     77      -7.9403      2.00000
     78      -7.9402      2.00000
     79      -7.8112      2.00000
     80      -7.8111      2.00000
     81      -7.6062      2.00000
     82      -7.6058      2.00000
     83      -7.3794      2.00000
     84      -7.3793      2.00000
     85      -7.1298      2.00000
     86      -7.1296      2.00000
     87      -7.0501      2.00000
     88      -7.0498      2.00000
     89      -6.5942      2.00000
     90      -6.5940      2.00000
     91      -6.5344      2.00000
     92      -6.5341      2.00000
     93      -6.2385      2.00000
     94      -6.2384      2.00000
     95      -6.1293      2.00000
     96      -6.1292      2.00000
     97      -5.9035      2.00000
     98      -5.9033      2.00000
     99      -5.6425      2.00000
    100      -5.6423      2.00000
    101      -5.4990      2.00000
    102      -5.4989      2.00000
    103      -5.4397      2.00000
    104      -5.4396      2.00000
    105      -5.3957      2.00000
    106      -5.3956      2.00000
    107      -5.2977      2.00000
    108      -5.2975      2.00000
    109      -5.1763      2.00000
    110      -5.1763      2.00000
    111      -5.0583      2.00000
    112      -5.0581      2.00000
    113      -4.7358      2.00000
    114      -4.7356      2.00000
    115      -4.7077      2.00000
    116      -4.7071      2.00000
    117      -4.5689      2.00000
    118      -4.5685      2.00000
    119      -4.4592      2.00000
    120      -4.4592      2.00000
    121      -4.0768      2.00000
    122      -4.0765      2.00000
    123      -3.9341      2.00000
    124      -3.9333      2.00000
    125      -3.6727      2.00000
    126      -3.6725      2.00000
    127      -3.5807      2.00000
    128      -3.5802      2.00000
    129      -2.6913      2.00000
    130      -2.6912      2.00000
    131      -2.3466      2.00000
    132      -2.3464      2.00000
    133      -2.2372      2.00000
    134      -2.2369      2.00000
    135      -2.0966      2.00000
    136      -2.0962      2.00000
    137      -1.9518      2.00000
    138      -1.9515      2.00000
    139      -1.8718      2.00000
    140      -1.8716      2.00000
    141      -1.7409      2.00000
    142      -1.7405      2.00000
    143      -1.6261      2.00000
    144      -1.6259      2.00000
    145      -1.4807      2.00000
    146      -1.4803      2.00000
    147      -1.3959      2.00000
    148      -1.3958      2.00000
    149      -1.3414      2.00000
    150      -1.3413      2.00000
    151      -1.2759      2.00000
    152      -1.2758      2.00000
    153      -1.2277      2.00000
    154      -1.2273      2.00000
    155      -1.1162      2.00000
    156      -1.1159      2.00000
    157      -1.0853      2.00000
    158      -1.0851      2.00000
    159      -1.0228      2.00000
    160      -1.0226      2.00000
    161      -0.9223      2.00000
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    165      -0.7798      2.00000
    166      -0.7795      2.00000
    167      -0.6853      2.00000
    168      -0.6851      2.00000
    169      -0.6241      2.00000
    170      -0.6239      2.00000
    171      -0.5835      2.00000
    172      -0.5830      2.00000
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    174      -0.5003      2.00000
    175      -0.3091      2.00000
    176      -0.3089      2.00000
    177      -0.1813      2.00000
    178      -0.1811      2.00000
    179       0.1347      2.00000
    180       0.1349      2.00000
    181       0.3257      2.00000
    182       0.3259      2.00000
    183       0.4870      2.00000
    184       0.4872      2.00000
    185       5.8149      0.00000
    186       5.8150      0.00000
    187       6.0390      0.00000
    188       6.0394      0.00000
    189       6.0940      0.00000
    190       6.0942      0.00000
    191       6.4833      0.00000
    192       6.4837      0.00000
    193       6.6350      0.00000
    194       6.6355      0.00000
    195       6.8831      0.00000
    196       6.8832      0.00000
    197       7.5690      0.00000
    198       7.5693      0.00000
    199       8.2795      0.00000
    200       8.2796      0.00000
    201       8.8548      0.00000
    202       8.8552      0.00000
    203       9.0012      0.00000
    204       9.0017      0.00000
    205       9.1191      0.00000
    206       9.1198      0.00000
    207       9.4587      0.00000
    208       9.4589      0.00000
    209       9.5943      0.00000
    210       9.5945      0.00000
    211       9.8390      0.00000
    212       9.8392      0.00000
    213      10.4342      0.00000
    214      10.4344      0.00000
    215      10.5112      0.00000
    216      10.5117      0.00000
    217      10.7932      0.00000
    218      10.7936      0.00000
    219      10.9172      0.00000
    220      10.9173      0.00000
    221      10.9471      0.00000
    222      10.9473      0.00000
    223      11.1145      0.00000
    224      11.1153      0.00000
    225      11.2477      0.00000
    226      11.2483      0.00000
    227      11.3306      0.00000
    228      11.3311      0.00000
    229      11.7205      0.00000
    230      11.7212      0.00000
    231      11.8525      0.00000
    232      11.8528      0.00000
    233      11.9849      0.00000
    234      11.9865      0.00000
    235      12.1167      0.00000
    236      12.1178      0.00000
    237      12.2105      0.00000
    238      12.2106      0.00000
    239      12.2763      0.00000
    240      12.2766      0.00000
    241      12.4263      0.00000
    242      12.4274      0.00000
    243      12.5175      0.00000
    244      12.5181      0.00000
    245      12.6368      0.00000
    246      12.6370      0.00000
    247      12.7548      0.00000
    248      12.7551      0.00000
    249      12.9251      0.00000
    250      12.9255      0.00000
    251      13.0388      0.00000
    252      13.0392      0.00000
    253      13.1560      0.00000
    254      13.1565      0.00000
    255      13.2380      0.00000
    256      13.2386      0.00000

 k-point   154 :       0.1667    0.1429    0.5000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2320      2.00000
     42     -21.2302      2.00000
     43     -21.1808      2.00000
     44     -21.1807      2.00000
     45     -20.9521      2.00000
     46     -20.9500      2.00000
     47     -20.8971      2.00000
     48     -20.8967      2.00000
     49     -19.3033      2.00000
     50     -19.3005      2.00000
     51     -19.2852      2.00000
     52     -19.2823      2.00000
     53     -18.6963      2.00000
     54     -18.6907      2.00000
     55     -18.6662      2.00000
     56     -18.6587      2.00000
     57     -18.2636      2.00000
     58     -18.2607      2.00000
     59     -18.1481      2.00000
     60     -18.1433      2.00000
     61     -18.1040      2.00000
     62     -18.0979      2.00000
     63     -18.0842      2.00000
     64     -18.0839      2.00000
     65     -17.8916      2.00000
     66     -17.8832      2.00000
     67     -17.8568      2.00000
     68     -17.8554      2.00000
     69     -17.7736      2.00000
     70     -17.7725      2.00000
     71     -17.6613      2.00000
     72     -17.6606      2.00000
     73     -17.3049      2.00000
     74     -17.3043      2.00000
     75     -17.2860      2.00000
     76     -17.2854      2.00000
     77      -7.9512      2.00000
     78      -7.9203      2.00000
     79      -7.8170      2.00000
     80      -7.7874      2.00000
     81      -7.6485      2.00000
     82      -7.5835      2.00000
     83      -7.4186      2.00000
     84      -7.3559      2.00000
     85      -7.1419      2.00000
     86      -7.1080      2.00000
     87      -7.0637      2.00000
     88      -7.0439      2.00000
     89      -6.6165      2.00000
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     92      -6.5221      2.00000
     93      -6.2418      2.00000
     94      -6.2342      2.00000
     95      -6.1296      2.00000
     96      -6.1233      2.00000
     97      -5.9086      2.00000
     98      -5.8877      2.00000
     99      -5.6491      2.00000
    100      -5.6156      2.00000
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    106      -5.3590      2.00000
    107      -5.3240      2.00000
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    109      -5.1918      2.00000
    110      -5.1509      2.00000
    111      -5.0846      2.00000
    112      -5.0174      2.00000
    113      -4.7835      2.00000
    114      -4.7420      2.00000
    115      -4.7251      2.00000
    116      -4.6921      2.00000
    117      -4.6184      2.00000
    118      -4.5133      2.00000
    119      -4.4930      2.00000
    120      -4.4343      2.00000
    121      -4.0846      2.00000
    122      -4.0472      2.00000
    123      -3.9486      2.00000
    124      -3.9285      2.00000
    125      -3.6937      2.00000
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    128      -3.5492      2.00000
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    130      -2.6758      2.00000
    131      -2.3894      2.00000
    132      -2.3161      2.00000
    133      -2.2875      2.00000
    134      -2.2209      2.00000
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    149      -1.3661      2.00000
    150      -1.3290      2.00000
    151      -1.2919      2.00000
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    153      -1.2440      2.00000
    154      -1.1763      2.00000
    155      -1.1428      2.00000
    156      -1.1139      2.00000
    157      -1.0875      2.00000
    158      -1.0723      2.00000
    159      -1.0331      2.00000
    160      -1.0140      2.00000
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    179       0.1170      2.00000
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    182       0.3415      2.00000
    183       0.4862      2.00000
    184       0.4889      2.00000
    185       5.7263      0.00000
    186       5.9037      0.00000
    187       6.0035      0.00000
    188       6.0686      0.00000
    189       6.0824      0.00000
    190       6.2038      0.00000
    191       6.3996      0.00000
    192       6.5048      0.00000
    193       6.5663      0.00000
    194       6.6417      0.00000
    195       6.7552      0.00000
    196       7.0128      0.00000
    197       7.5348      0.00000
    198       7.7416      0.00000
    199       8.0979      0.00000
    200       8.3209      0.00000
    201       8.8061      0.00000
    202       8.8778      0.00000
    203       8.9510      0.00000
    204       8.9911      0.00000
    205       9.1561      0.00000
    206       9.3152      0.00000
    207       9.3666      0.00000
    208       9.4553      0.00000
    209       9.5239      0.00000
    210       9.6385      0.00000
    211       9.7712      0.00000
    212       9.9309      0.00000
    213      10.4443      0.00000
    214      10.4841      0.00000
    215      10.5328      0.00000
    216      10.5608      0.00000
    217      10.7104      0.00000
    218      10.7848      0.00000
    219      10.8084      0.00000
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    223      11.0609      0.00000
    224      11.1752      0.00000
    225      11.2044      0.00000
    226      11.2514      0.00000
    227      11.3406      0.00000
    228      11.4142      0.00000
    229      11.6388      0.00000
    230      11.6833      0.00000
    231      11.7256      0.00000
    232      11.8763      0.00000
    233      11.9338      0.00000
    234      12.0328      0.00000
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    236      12.1468      0.00000
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    238      12.2295      0.00000
    239      12.2885      0.00000
    240      12.3240      0.00000
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    242      12.4825      0.00000
    243      12.5358      0.00000
    244      12.5759      0.00000
    245      12.6444      0.00000
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    248      12.7632      0.00000
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    250      12.9559      0.00000
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    253      13.1234      0.00000
    254      13.2180      0.00000
    255      13.2649      0.00000
    256      13.3153      0.00000

 k-point   155 :       0.3333    0.1429    0.5000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2320      2.00000
     42     -21.2302      2.00000
     43     -21.1808      2.00000
     44     -21.1807      2.00000
     45     -20.9520      2.00000
     46     -20.9500      2.00000
     47     -20.8971      2.00000
     48     -20.8967      2.00000
     49     -19.3030      2.00000
     50     -19.2998      2.00000
     51     -19.2866      2.00000
     52     -19.2834      2.00000
     53     -18.6948      2.00000
     54     -18.6888      2.00000
     55     -18.6662      2.00000
     56     -18.6583      2.00000
     57     -18.2646      2.00000
     58     -18.2618      2.00000
     59     -18.1495      2.00000
     60     -18.1447      2.00000
     61     -18.1036      2.00000
     62     -18.0983      2.00000
     63     -18.0828      2.00000
     64     -18.0820      2.00000
     65     -17.8916      2.00000
     66     -17.8830      2.00000
     67     -17.8575      2.00000
     68     -17.8564      2.00000
     69     -17.7737      2.00000
     70     -17.7726      2.00000
     71     -17.6611      2.00000
     72     -17.6605      2.00000
     73     -17.3052      2.00000
     74     -17.3046      2.00000
     75     -17.2855      2.00000
     76     -17.2849      2.00000
     77      -7.9450      2.00000
     78      -7.9123      2.00000
     79      -7.8033      2.00000
     80      -7.7634      2.00000
     81      -7.6730      2.00000
     82      -7.5998      2.00000
     83      -7.4361      2.00000
     84      -7.3717      2.00000
     85      -7.1365      2.00000
     86      -7.1057      2.00000
     87      -7.0645      2.00000
     88      -7.0461      2.00000
     89      -6.6154      2.00000
     90      -6.5731      2.00000
     91      -6.5517      2.00000
     92      -6.5293      2.00000
     93      -6.2402      2.00000
     94      -6.2332      2.00000
     95      -6.1261      2.00000
     96      -6.1190      2.00000
     97      -5.8963      2.00000
     98      -5.8766      2.00000
     99      -5.6407      2.00000
    100      -5.5919      2.00000
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    104      -5.4397      2.00000
    105      -5.4073      2.00000
    106      -5.3431      2.00000
    107      -5.3136      2.00000
    108      -5.2654      2.00000
    109      -5.1847      2.00000
    110      -5.1585      2.00000
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    112      -4.9957      2.00000
    113      -4.8342      2.00000
    114      -4.7854      2.00000
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    184       0.4899      2.00000
    185       5.7330      0.00000
    186       5.9284      0.00000
    187       5.9886      0.00000
    188       6.0497      0.00000
    189       6.0844      0.00000
    190       6.1567      0.00000
    191       6.4777      0.00000
    192       6.5092      0.00000
    193       6.5371      0.00000
    194       6.6373      0.00000
    195       6.7423      0.00000
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    199       8.0489      0.00000
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    201       8.7758      0.00000
    202       8.9282      0.00000
    203       9.0015      0.00000
    204       9.0615      0.00000
    205       9.1019      0.00000
    206       9.1864      0.00000
    207       9.3623      0.00000
    208       9.4111      0.00000
    209       9.5371      0.00000
    210       9.7521      0.00000
    211       9.7977      0.00000
    212      10.0297      0.00000
    213      10.3619      0.00000
    214      10.4695      0.00000
    215      10.5535      0.00000
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    218      10.7655      0.00000
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    221      10.9648      0.00000
    222      11.0187      0.00000
    223      11.0482      0.00000
    224      11.1302      0.00000
    225      11.2476      0.00000
    226      11.2890      0.00000
    227      11.3160      0.00000
    228      11.4857      0.00000
    229      11.5603      0.00000
    230      11.6495      0.00000
    231      11.7055      0.00000
    232      11.8331      0.00000
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    234      11.9612      0.00000
    235      12.0307      0.00000
    236      12.1537      0.00000
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    238      12.2361      0.00000
    239      12.2955      0.00000
    240      12.3277      0.00000
    241      12.4421      0.00000
    242      12.4541      0.00000
    243      12.5160      0.00000
    244      12.6073      0.00000
    245      12.6283      0.00000
    246      12.6747      0.00000
    247      12.7716      0.00000
    248      12.8274      0.00000
    249      12.8467      0.00000
    250      12.9666      0.00000
    251      13.0211      0.00000
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    253      13.1668      0.00000
    254      13.2448      0.00000
    255      13.3194      0.00000
    256      13.3736      0.00000

 k-point   156 :       0.5000    0.1429    0.5000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0262      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2311      2.00000
     42     -21.2310      2.00000
     43     -21.1808      2.00000
     44     -21.1807      2.00000
     45     -20.9510      2.00000
     46     -20.9509      2.00000
     47     -20.8970      2.00000
     48     -20.8968      2.00000
     49     -19.3013      2.00000
     50     -19.3012      2.00000
     51     -19.2856      2.00000
     52     -19.2854      2.00000
     53     -18.6913      2.00000
     54     -18.6913      2.00000
     55     -18.6617      2.00000
     56     -18.6616      2.00000
     57     -18.2638      2.00000
     58     -18.2637      2.00000
     59     -18.1476      2.00000
     60     -18.1475      2.00000
     61     -18.1010      2.00000
     62     -18.1009      2.00000
     63     -18.0820      2.00000
     64     -18.0819      2.00000
     65     -17.8872      2.00000
     66     -17.8871      2.00000
     67     -17.8576      2.00000
     68     -17.8572      2.00000
     69     -17.7734      2.00000
     70     -17.7730      2.00000
     71     -17.6608      2.00000
     72     -17.6607      2.00000
     73     -17.3051      2.00000
     74     -17.3050      2.00000
     75     -17.2849      2.00000
     76     -17.2849      2.00000
     77      -7.9264      2.00000
     78      -7.9262      2.00000
     79      -7.7769      2.00000
     80      -7.7769      2.00000
     81      -7.6433      2.00000
     82      -7.6430      2.00000
     83      -7.4126      2.00000
     84      -7.4125      2.00000
     85      -7.1215      2.00000
     86      -7.1213      2.00000
     87      -7.0537      2.00000
     88      -7.0532      2.00000
     89      -6.5913      2.00000
     90      -6.5909      2.00000
     91      -6.5447      2.00000
     92      -6.5443      2.00000
     93      -6.2360      2.00000
     94      -6.2359      2.00000
     95      -6.1215      2.00000
     96      -6.1213      2.00000
     97      -5.8795      2.00000
     98      -5.8794      2.00000
     99      -5.6273      2.00000
    100      -5.6272      2.00000
    101      -5.5201      2.00000
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    104      -5.4405      2.00000
    105      -5.3784      2.00000
    106      -5.3783      2.00000
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    122      -4.0326      2.00000
    123      -3.9555      2.00000
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    131      -2.4266      2.00000
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    135      -1.9984      2.00000
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    140      -1.8743      2.00000
    141      -1.7736      2.00000
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    144      -1.6579      2.00000
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    154      -1.1738      2.00000
    155      -1.1269      2.00000
    156      -1.1268      2.00000
    157      -1.0811      2.00000
    158      -1.0810      2.00000
    159      -1.0041      2.00000
    160      -1.0038      2.00000
    161      -0.9473      2.00000
    162      -0.9471      2.00000
    163      -0.7836      2.00000
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    165      -0.7556      2.00000
    166      -0.7556      2.00000
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    168      -0.7108      2.00000
    169      -0.6234      2.00000
    170      -0.6234      2.00000
    171      -0.5936      2.00000
    172      -0.5931      2.00000
    173      -0.5024      2.00000
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    175      -0.3040      2.00000
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    177      -0.1813      2.00000
    178      -0.1811      2.00000
    179       0.1229      2.00000
    180       0.1231      2.00000
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    182       0.3425      2.00000
    183       0.4888      2.00000
    184       0.4889      2.00000
    185       5.8444      0.00000
    186       5.8446      0.00000
    187       5.9874      0.00000
    188       5.9877      0.00000
    189       6.0944      0.00000
    190       6.0948      0.00000
    191       6.5079      0.00000
    192       6.5084      0.00000
    193       6.6330      0.00000
    194       6.6332      0.00000
    195       6.8678      0.00000
    196       6.8681      0.00000
    197       7.5951      0.00000
    198       7.5954      0.00000
    199       8.2418      0.00000
    200       8.2423      0.00000
    201       8.8245      0.00000
    202       8.8247      0.00000
    203       9.0734      0.00000
    204       9.0741      0.00000
    205       9.1766      0.00000
    206       9.1771      0.00000
    207       9.2623      0.00000
    208       9.2624      0.00000
    209       9.6868      0.00000
    210       9.6871      0.00000
    211      10.0030      0.00000
    212      10.0031      0.00000
    213      10.3138      0.00000
    214      10.3140      0.00000
    215      10.5396      0.00000
    216      10.5401      0.00000
    217      10.8011      0.00000
    218      10.8014      0.00000
    219      10.8731      0.00000
    220      10.8735      0.00000
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    222      11.0078      0.00000
    223      11.0437      0.00000
    224      11.0441      0.00000
    225      11.2505      0.00000
    226      11.2516      0.00000
    227      11.4161      0.00000
    228      11.4165      0.00000
    229      11.6340      0.00000
    230      11.6343      0.00000
    231      11.7788      0.00000
    232      11.7790      0.00000
    233      11.8881      0.00000
    234      11.8885      0.00000
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    236      12.0308      0.00000
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    238      12.2180      0.00000
    239      12.2773      0.00000
    240      12.2787      0.00000
    241      12.4625      0.00000
    242      12.4639      0.00000
    243      12.5711      0.00000
    244      12.5716      0.00000
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    253      13.1877      0.00000
    254      13.1889      0.00000
    255      13.3792      0.00000
    256      13.3794      0.00000

 k-point   157 :      -0.3333    0.1429    0.5000
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2320      2.00000
     42     -21.2302      2.00000
     43     -21.1808      2.00000
     44     -21.1807      2.00000
     45     -20.9521      2.00000
     46     -20.9499      2.00000
     47     -20.8971      2.00000
     48     -20.8967      2.00000
     49     -19.3029      2.00000
     50     -19.2998      2.00000
     51     -19.2866      2.00000
     52     -19.2834      2.00000
     53     -18.6948      2.00000
     54     -18.6887      2.00000
     55     -18.6661      2.00000
     56     -18.6583      2.00000
     57     -18.2646      2.00000
     58     -18.2618      2.00000
     59     -18.1494      2.00000
     60     -18.1448      2.00000
     61     -18.1036      2.00000
     62     -18.0983      2.00000
     63     -18.0828      2.00000
     64     -18.0821      2.00000
     65     -17.8917      2.00000
     66     -17.8829      2.00000
     67     -17.8574      2.00000
     68     -17.8565      2.00000
     69     -17.7738      2.00000
     70     -17.7725      2.00000
     71     -17.6612      2.00000
     72     -17.6604      2.00000
     73     -17.3052      2.00000
     74     -17.3046      2.00000
     75     -17.2855      2.00000
     76     -17.2849      2.00000
     77      -7.9450      2.00000
     78      -7.9123      2.00000
     79      -7.8034      2.00000
     80      -7.7634      2.00000
     81      -7.6728      2.00000
     82      -7.6000      2.00000
     83      -7.4362      2.00000
     84      -7.3717      2.00000
     85      -7.1367      2.00000
     86      -7.1055      2.00000
     87      -7.0641      2.00000
     88      -7.0465      2.00000
     89      -6.6155      2.00000
     90      -6.5726      2.00000
     91      -6.5521      2.00000
     92      -6.5292      2.00000
     93      -6.2402      2.00000
     94      -6.2333      2.00000
     95      -6.1259      2.00000
     96      -6.1192      2.00000
     97      -5.8965      2.00000
     98      -5.8765      2.00000
     99      -5.6405      2.00000
    100      -5.5920      2.00000
    101      -5.5726      2.00000
    102      -5.4805      2.00000
    103      -5.4453      2.00000
    104      -5.4398      2.00000
    105      -5.4073      2.00000
    106      -5.3432      2.00000
    107      -5.3135      2.00000
    108      -5.2654      2.00000
    109      -5.1846      2.00000
    110      -5.1585      2.00000
    111      -5.0539      2.00000
    112      -4.9956      2.00000
    113      -4.8341      2.00000
    114      -4.7855      2.00000
    115      -4.7414      2.00000
    116      -4.7358      2.00000
    117      -4.5940      2.00000
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    123      -3.9630      2.00000
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    125      -3.6954      2.00000
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    128      -3.5437      2.00000
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    130      -2.6627      2.00000
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    140      -1.8120      2.00000
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    142      -1.7567      2.00000
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    144      -1.6161      2.00000
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    146      -1.4870      2.00000
    147      -1.4191      2.00000
    148      -1.3936      2.00000
    149      -1.3858      2.00000
    150      -1.3563      2.00000
    151      -1.3255      2.00000
    152      -1.2835      2.00000
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    160      -1.0062      2.00000
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    180       0.1410      2.00000
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    182       0.3492      2.00000
    183       0.4868      2.00000
    184       0.4900      2.00000
    185       5.7329      0.00000
    186       5.9284      0.00000
    187       5.9887      0.00000
    188       6.0496      0.00000
    189       6.0843      0.00000
    190       6.1568      0.00000
    191       6.4777      0.00000
    192       6.5096      0.00000
    193       6.5366      0.00000
    194       6.6375      0.00000
    195       6.7422      0.00000
    196       7.0104      0.00000
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    199       8.0487      0.00000
    200       8.3019      0.00000
    201       8.7756      0.00000
    202       8.9279      0.00000
    203       9.0018      0.00000
    204       9.0613      0.00000
    205       9.1021      0.00000
    206       9.1869      0.00000
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    208       9.4111      0.00000
    209       9.5371      0.00000
    210       9.7519      0.00000
    211       9.7976      0.00000
    212      10.0298      0.00000
    213      10.3620      0.00000
    214      10.4695      0.00000
    215      10.5534      0.00000
    216      10.5718      0.00000
    217      10.6697      0.00000
    218      10.7656      0.00000
    219      10.8026      0.00000
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    223      11.0482      0.00000
    224      11.1307      0.00000
    225      11.2463      0.00000
    226      11.2892      0.00000
    227      11.3164      0.00000
    228      11.4854      0.00000
    229      11.5605      0.00000
    230      11.6494      0.00000
    231      11.7057      0.00000
    232      11.8329      0.00000
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    236      12.1534      0.00000
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    239      12.2951      0.00000
    240      12.3286      0.00000
    241      12.4420      0.00000
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    243      12.5160      0.00000
    244      12.6066      0.00000
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    247      12.7720      0.00000
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    251      13.0214      0.00000
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    253      13.1670      0.00000
    254      13.2438      0.00000
    255      13.3192      0.00000
    256      13.3845      0.00000

 k-point   158 :      -0.1667    0.1429    0.5000
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2320      2.00000
     42     -21.2302      2.00000
     43     -21.1808      2.00000
     44     -21.1807      2.00000
     45     -20.9521      2.00000
     46     -20.9500      2.00000
     47     -20.8972      2.00000
     48     -20.8967      2.00000
     49     -19.3033      2.00000
     50     -19.3005      2.00000
     51     -19.2852      2.00000
     52     -19.2823      2.00000
     53     -18.6963      2.00000
     54     -18.6907      2.00000
     55     -18.6662      2.00000
     56     -18.6587      2.00000
     57     -18.2636      2.00000
     58     -18.2608      2.00000
     59     -18.1481      2.00000
     60     -18.1434      2.00000
     61     -18.1039      2.00000
     62     -18.0979      2.00000
     63     -18.0841      2.00000
     64     -18.0839      2.00000
     65     -17.8918      2.00000
     66     -17.8830      2.00000
     67     -17.8567      2.00000
     68     -17.8555      2.00000
     69     -17.7737      2.00000
     70     -17.7724      2.00000
     71     -17.6614      2.00000
     72     -17.6606      2.00000
     73     -17.3049      2.00000
     74     -17.3042      2.00000
     75     -17.2861      2.00000
     76     -17.2855      2.00000
     77      -7.9512      2.00000
     78      -7.9203      2.00000
     79      -7.8171      2.00000
     80      -7.7873      2.00000
     81      -7.6484      2.00000
     82      -7.5837      2.00000
     83      -7.4187      2.00000
     84      -7.3558      2.00000
     85      -7.1420      2.00000
     86      -7.1079      2.00000
     87      -7.0634      2.00000
     88      -7.0442      2.00000
     89      -6.6166      2.00000
     90      -6.5740      2.00000
     91      -6.5497      2.00000
     92      -6.5220      2.00000
     93      -6.2418      2.00000
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     95      -6.1294      2.00000
     96      -6.1235      2.00000
     97      -5.9088      2.00000
     98      -5.8876      2.00000
     99      -5.6488      2.00000
    100      -5.6157      2.00000
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    120      -4.4342      2.00000
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    182       0.3415      2.00000
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    185       5.7262      0.00000
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    187       6.0035      0.00000
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    213      10.4443      0.00000
    214      10.4841      0.00000
    215      10.5327      0.00000
    216      10.5610      0.00000
    217      10.7105      0.00000
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    221      10.9796      0.00000
    222      11.0018      0.00000
    223      11.0610      0.00000
    224      11.1750      0.00000
    225      11.2051      0.00000
    226      11.2508      0.00000
    227      11.3407      0.00000
    228      11.4134      0.00000
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    232      11.8760      0.00000
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    234      12.0332      0.00000
    235      12.1143      0.00000
    236      12.1467      0.00000
    237      12.1854      0.00000
    238      12.2293      0.00000
    239      12.2886      0.00000
    240      12.3248      0.00000
    241      12.3775      0.00000
    242      12.4822      0.00000
    243      12.5358      0.00000
    244      12.5753      0.00000
    245      12.6449      0.00000
    246      12.6550      0.00000
    247      12.7053      0.00000
    248      12.7624      0.00000
    249      12.8183      0.00000
    250      12.9566      0.00000
    251      13.0250      0.00000
    252      13.0708      0.00000
    253      13.1234      0.00000
    254      13.2185      0.00000
    255      13.2650      0.00000
    256      13.3156      0.00000

 k-point   159 :      -0.0000    0.2857    0.5000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2236      2.00000
     42     -21.2235      2.00000
     43     -21.1887      2.00000
     44     -21.1886      2.00000
     45     -20.9433      2.00000
     46     -20.9431      2.00000
     47     -20.9053      2.00000
     48     -20.9052      2.00000
     49     -19.2996      2.00000
     50     -19.2994      2.00000
     51     -19.2859      2.00000
     52     -19.2857      2.00000
     53     -18.6893      2.00000
     54     -18.6892      2.00000
     55     -18.6662      2.00000
     56     -18.6662      2.00000
     57     -18.2460      2.00000
     58     -18.2459      2.00000
     59     -18.1612      2.00000
     60     -18.1611      2.00000
     61     -18.0993      2.00000
     62     -18.0992      2.00000
     63     -18.0872      2.00000
     64     -18.0871      2.00000
     65     -17.8852      2.00000
     66     -17.8849      2.00000
     67     -17.8614      2.00000
     68     -17.8610      2.00000
     69     -17.7554      2.00000
     70     -17.7551      2.00000
     71     -17.6773      2.00000
     72     -17.6772      2.00000
     73     -17.3008      2.00000
     74     -17.3008      2.00000
     75     -17.2881      2.00000
     76     -17.2880      2.00000
     77      -7.9098      2.00000
     78      -7.9096      2.00000
     79      -7.7904      2.00000
     80      -7.7902      2.00000
     81      -7.6081      2.00000
     82      -7.6077      2.00000
     83      -7.4410      2.00000
     84      -7.4408      2.00000
     85      -7.1072      2.00000
     86      -7.1069      2.00000
     87      -7.0567      2.00000
     88      -7.0563      2.00000
     89      -6.5907      2.00000
     90      -6.5903      2.00000
     91      -6.5416      2.00000
     92      -6.5413      2.00000
     93      -6.2390      2.00000
     94      -6.2389      2.00000
     95      -6.1608      2.00000
     96      -6.1606      2.00000
     97      -5.8869      2.00000
     98      -5.8866      2.00000
     99      -5.6505      2.00000
    100      -5.6504      2.00000
    101      -5.5163      2.00000
    102      -5.5162      2.00000
    103      -5.4564      2.00000
    104      -5.4562      2.00000
    105      -5.3526      2.00000
    106      -5.3523      2.00000
    107      -5.2567      2.00000
    108      -5.2566      2.00000
    109      -5.1933      2.00000
    110      -5.1932      2.00000
    111      -5.0944      2.00000
    112      -5.0942      2.00000
    113      -4.7334      2.00000
    114      -4.7332      2.00000
    115      -4.7008      2.00000
    116      -4.7004      2.00000
    117      -4.5588      2.00000
    118      -4.5585      2.00000
    119      -4.4884      2.00000
    120      -4.4883      2.00000
    121      -4.0723      2.00000
    122      -4.0720      2.00000
    123      -3.9425      2.00000
    124      -3.9418      2.00000
    125      -3.6385      2.00000
    126      -3.6381      2.00000
    127      -3.5804      2.00000
    128      -3.5800      2.00000
    129      -2.6080      2.00000
    130      -2.6079      2.00000
    131      -2.3258      2.00000
    132      -2.3255      2.00000
    133      -2.2408      2.00000
    134      -2.2406      2.00000
    135      -2.0952      2.00000
    136      -2.0948      2.00000
    137      -1.9693      2.00000
    138      -1.9691      2.00000
    139      -1.8702      2.00000
    140      -1.8699      2.00000
    141      -1.7694      2.00000
    142      -1.7690      2.00000
    143      -1.6381      2.00000
    144      -1.6378      2.00000
    145      -1.4676      2.00000
    146      -1.4673      2.00000
    147      -1.4305      2.00000
    148      -1.4304      2.00000
    149      -1.3666      2.00000
    150      -1.3665      2.00000
    151      -1.2838      2.00000
    152      -1.2835      2.00000
    153      -1.2230      2.00000
    154      -1.2226      2.00000
    155      -1.1445      2.00000
    156      -1.1443      2.00000
    157      -1.0779      2.00000
    158      -1.0776      2.00000
    159      -1.0297      2.00000
    160      -1.0294      2.00000
    161      -0.9134      2.00000
    162      -0.9130      2.00000
    163      -0.8303      2.00000
    164      -0.8300      2.00000
    165      -0.7554      2.00000
    166      -0.7552      2.00000
    167      -0.7053      2.00000
    168      -0.7051      2.00000
    169      -0.6382      2.00000
    170      -0.6381      2.00000
    171      -0.5994      2.00000
    172      -0.5988      2.00000
    173      -0.4467      2.00000
    174      -0.4466      2.00000
    175      -0.3135      2.00000
    176      -0.3133      2.00000
    177      -0.1323      2.00000
    178      -0.1321      2.00000
    179       0.0880      2.00000
    180       0.0884      2.00000
    181       0.3439      2.00000
    182       0.3441      2.00000
    183       0.4683      2.00000
    184       0.4686      2.00000
    185       5.8962      0.00000
    186       5.8964      0.00000
    187       6.0531      0.00000
    188       6.0536      0.00000
    189       6.1173      0.00000
    190       6.1174      0.00000
    191       6.5248      0.00000
    192       6.5256      0.00000
    193       6.5716      0.00000
    194       6.5724      0.00000
    195       6.8459      0.00000
    196       6.8461      0.00000
    197       7.4688      0.00000
    198       7.4692      0.00000
    199       8.0619      0.00000
    200       8.0621      0.00000
    201       8.9333      0.00000
    202       8.9337      0.00000
    203       9.1208      0.00000
    204       9.1211      0.00000
    205       9.2364      0.00000
    206       9.2367      0.00000
    207       9.4899      0.00000
    208       9.4903      0.00000
    209       9.6511      0.00000
    210       9.6515      0.00000
    211       9.9390      0.00000
    212       9.9394      0.00000
    213      10.3891      0.00000
    214      10.3893      0.00000
    215      10.5741      0.00000
    216      10.5747      0.00000
    217      10.6719      0.00000
    218      10.6721      0.00000
    219      10.9107      0.00000
    220      10.9110      0.00000
    221      10.9541      0.00000
    222      10.9543      0.00000
    223      11.0823      0.00000
    224      11.0829      0.00000
    225      11.2094      0.00000
    226      11.2098      0.00000
    227      11.2677      0.00000
    228      11.2683      0.00000
    229      11.6084      0.00000
    230      11.6088      0.00000
    231      11.8615      0.00000
    232      11.8618      0.00000
    233      11.9945      0.00000
    234      11.9957      0.00000
    235      12.0714      0.00000
    236      12.0727      0.00000
    237      12.1919      0.00000
    238      12.1922      0.00000
    239      12.3246      0.00000
    240      12.3251      0.00000
    241      12.4168      0.00000
    242      12.4175      0.00000
    243      12.5241      0.00000
    244      12.5251      0.00000
    245      12.6648      0.00000
    246      12.6653      0.00000
    247      12.7739      0.00000
    248      12.7740      0.00000
    249      12.9353      0.00000
    250      12.9356      0.00000
    251      13.0621      0.00000
    252      13.0633      0.00000
    253      13.1330      0.00000
    254      13.1334      0.00000
    255      13.2633      0.00000
    256      13.2638      0.00000

 k-point   160 :       0.1667    0.2857    0.5000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2243      2.00000
     42     -21.2228      2.00000
     43     -21.1888      2.00000
     44     -21.1884      2.00000
     45     -20.9441      2.00000
     46     -20.9423      2.00000
     47     -20.9056      2.00000
     48     -20.9049      2.00000
     49     -19.3007      2.00000
     50     -19.2977      2.00000
     51     -19.2879      2.00000
     52     -19.2850      2.00000
     53     -18.6909      2.00000
     54     -18.6854      2.00000
     55     -18.6698      2.00000
     56     -18.6630      2.00000
     57     -18.2482      2.00000
     58     -18.2439      2.00000
     59     -18.1652      2.00000
     60     -18.1590      2.00000
     61     -18.1020      2.00000
     62     -18.0970      2.00000
     63     -18.0863      2.00000
     64     -18.0859      2.00000
     65     -17.8886      2.00000
     66     -17.8821      2.00000
     67     -17.8622      2.00000
     68     -17.8604      2.00000
     69     -17.7557      2.00000
     70     -17.7550      2.00000
     71     -17.6776      2.00000
     72     -17.6768      2.00000
     73     -17.3016      2.00000
     74     -17.3001      2.00000
     75     -17.2886      2.00000
     76     -17.2872      2.00000
     77      -7.9189      2.00000
     78      -7.8901      2.00000
     79      -7.7984      2.00000
     80      -7.7597      2.00000
     81      -7.6572      2.00000
     82      -7.5827      2.00000
     83      -7.4786      2.00000
     84      -7.4154      2.00000
     85      -7.1316      2.00000
     86      -7.0875      2.00000
     87      -7.0713      2.00000
     88      -7.0410      2.00000
     89      -6.6111      2.00000
     90      -6.5794      2.00000
     91      -6.5498      2.00000
     92      -6.5303      2.00000
     93      -6.2424      2.00000
     94      -6.2288      2.00000
     95      -6.1629      2.00000
     96      -6.1537      2.00000
     97      -5.8868      2.00000
     98      -5.8708      2.00000
     99      -5.6685      2.00000
    100      -5.6359      2.00000
    101      -5.5464      2.00000
    102      -5.4904      2.00000
    103      -5.4623      2.00000
    104      -5.4543      2.00000
    105      -5.3563      2.00000
    106      -5.3326      2.00000
    107      -5.2680      2.00000
    108      -5.2519      2.00000
    109      -5.1989      2.00000
    110      -5.1753      2.00000
    111      -5.1088      2.00000
    112      -5.0595      2.00000
    113      -4.7717      2.00000
    114      -4.7356      2.00000
    115      -4.7282      2.00000
    116      -4.6961      2.00000
    117      -4.5911      2.00000
    118      -4.5173      2.00000
    119      -4.5124      2.00000
    120      -4.4670      2.00000
    121      -4.0764      2.00000
    122      -4.0474      2.00000
    123      -3.9552      2.00000
    124      -3.9391      2.00000
    125      -3.6550      2.00000
    126      -3.6158      2.00000
    127      -3.6087      2.00000
    128      -3.5535      2.00000
    129      -2.6161      2.00000
    130      -2.5928      2.00000
    131      -2.3443      2.00000
    132      -2.3346      2.00000
    133      -2.2598      2.00000
    134      -2.2126      2.00000
    135      -2.1085      2.00000
    136      -2.0526      2.00000
    137      -1.9663      2.00000
    138      -1.9610      2.00000
    139      -1.8898      2.00000
    140      -1.8284      2.00000
    141      -1.7820      2.00000
    142      -1.7676      2.00000
    143      -1.6822      2.00000
    144      -1.6184      2.00000
    145      -1.5025      2.00000
    146      -1.4620      2.00000
    147      -1.4362      2.00000
    148      -1.4032      2.00000
    149      -1.3844      2.00000
    150      -1.3666      2.00000
    151      -1.3012      2.00000
    152      -1.2774      2.00000
    153      -1.2287      2.00000
    154      -1.1879      2.00000
    155      -1.1623      2.00000
    156      -1.1408      2.00000
    157      -1.0982      2.00000
    158      -1.0648      2.00000
    159      -1.0492      2.00000
    160      -1.0035      2.00000
    161      -0.9155      2.00000
    162      -0.9001      2.00000
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    170      -0.6178      2.00000
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    175      -0.3157      2.00000
    176      -0.3089      2.00000
    177      -0.1370      2.00000
    178      -0.1285      2.00000
    179       0.0760      2.00000
    180       0.0966      2.00000
    181       0.3389      2.00000
    182       0.3551      2.00000
    183       0.4684      2.00000
    184       0.4697      2.00000
    185       5.8379      0.00000
    186       5.9447      0.00000
    187       6.0207      0.00000
    188       6.0660      0.00000
    189       6.0826      0.00000
    190       6.2489      0.00000
    191       6.4505      0.00000
    192       6.5258      0.00000
    193       6.5529      0.00000
    194       6.6220      0.00000
    195       6.7354      0.00000
    196       6.9042      0.00000
    197       7.4135      0.00000
    198       7.5761      0.00000
    199       7.9380      0.00000
    200       8.2353      0.00000
    201       8.7549      0.00000
    202       8.9419      0.00000
    203       9.0888      0.00000
    204       9.1587      0.00000
    205       9.2231      0.00000
    206       9.2802      0.00000
    207       9.4331      0.00000
    208       9.5436      0.00000
    209       9.6284      0.00000
    210       9.7483      0.00000
    211       9.9518      0.00000
    212       9.9803      0.00000
    213      10.3987      0.00000
    214      10.4364      0.00000
    215      10.5698      0.00000
    216      10.5903      0.00000
    217      10.6316      0.00000
    218      10.7176      0.00000
    219      10.7967      0.00000
    220      10.8841      0.00000
    221      10.9402      0.00000
    222      10.9703      0.00000
    223      11.0654      0.00000
    224      11.0940      0.00000
    225      11.1640      0.00000
    226      11.1737      0.00000
    227      11.3002      0.00000
    228      11.3788      0.00000
    229      11.5087      0.00000
    230      11.5906      0.00000
    231      11.7805      0.00000
    232      11.8728      0.00000
    233      11.9254      0.00000
    234      12.0217      0.00000
    235      12.0877      0.00000
    236      12.1392      0.00000
    237      12.1873      0.00000
    238      12.2200      0.00000
    239      12.2772      0.00000
    240      12.3691      0.00000
    241      12.4418      0.00000
    242      12.4567      0.00000
    243      12.5454      0.00000
    244      12.5795      0.00000
    245      12.6415      0.00000
    246      12.7086      0.00000
    247      12.7233      0.00000
    248      12.7674      0.00000
    249      12.8214      0.00000
    250      12.9579      0.00000
    251      13.0182      0.00000
    252      13.0897      0.00000
    253      13.1371      0.00000
    254      13.2424      0.00000
    255      13.2653      0.00000
    256      13.3093      0.00000

 k-point   161 :       0.3333    0.2857    0.5000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2243      2.00000
     42     -21.2228      2.00000
     43     -21.1888      2.00000
     44     -21.1884      2.00000
     45     -20.9441      2.00000
     46     -20.9423      2.00000
     47     -20.9055      2.00000
     48     -20.9049      2.00000
     49     -19.3005      2.00000
     50     -19.2972      2.00000
     51     -19.2892      2.00000
     52     -19.2859      2.00000
     53     -18.6895      2.00000
     54     -18.6837      2.00000
     55     -18.6697      2.00000
     56     -18.6625      2.00000
     57     -18.2485      2.00000
     58     -18.2441      2.00000
     59     -18.1670      2.00000
     60     -18.1607      2.00000
     61     -18.1018      2.00000
     62     -18.0974      2.00000
     63     -18.0849      2.00000
     64     -18.0846      2.00000
     65     -17.8888      2.00000
     66     -17.8824      2.00000
     67     -17.8625      2.00000
     68     -17.8609      2.00000
     69     -17.7558      2.00000
     70     -17.7551      2.00000
     71     -17.6774      2.00000
     72     -17.6767      2.00000
     73     -17.3018      2.00000
     74     -17.3003      2.00000
     75     -17.2881      2.00000
     76     -17.2867      2.00000
     77      -7.9109      2.00000
     78      -7.8789      2.00000
     79      -7.7873      2.00000
     80      -7.7169      2.00000
     81      -7.7017      2.00000
     82      -7.5988      2.00000
     83      -7.4915      2.00000
     84      -7.4265      2.00000
     85      -7.1397      2.00000
     86      -7.1114      2.00000
     87      -7.0520      2.00000
     88      -7.0361      2.00000
     89      -6.6102      2.00000
     90      -6.5800      2.00000
     91      -6.5511      2.00000
     92      -6.5379      2.00000
     93      -6.2367      2.00000
     94      -6.2233      2.00000
     95      -6.1591      2.00000
     96      -6.1491      2.00000
     97      -5.8711      2.00000
     98      -5.8536      2.00000
     99      -5.6760      2.00000
    100      -5.6480      2.00000
    101      -5.5482      2.00000
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    103      -5.4602      2.00000
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    105      -5.3483      2.00000
    106      -5.3063      2.00000
    107      -5.2818      2.00000
    108      -5.2537      2.00000
    109      -5.1840      2.00000
    110      -5.1732      2.00000
    111      -5.0776      2.00000
    112      -5.0362      2.00000
    113      -4.8190      2.00000
    114      -4.7749      2.00000
    115      -4.7481      2.00000
    116      -4.7382      2.00000
    117      -4.5745      2.00000
    118      -4.5310      2.00000
    119      -4.4922      2.00000
    120      -4.4645      2.00000
    121      -4.0560      2.00000
    122      -4.0200      2.00000
    123      -3.9736      2.00000
    124      -3.9491      2.00000
    125      -3.6575      2.00000
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    127      -3.5875      2.00000
    128      -3.5463      2.00000
    129      -2.6087      2.00000
    130      -2.5811      2.00000
    131      -2.3836      2.00000
    132      -2.3673      2.00000
    133      -2.2295      2.00000
    134      -2.2100      2.00000
    135      -2.0892      2.00000
    136      -2.0214      2.00000
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    140      -1.8248      2.00000
    141      -1.7942      2.00000
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    147      -1.4207      2.00000
    148      -1.4160      2.00000
    149      -1.3971      2.00000
    150      -1.3609      2.00000
    151      -1.3163      2.00000
    152      -1.3089      2.00000
    153      -1.2044      2.00000
    154      -1.1802      2.00000
    155      -1.1618      2.00000
    156      -1.1467      2.00000
    157      -1.0967      2.00000
    158      -1.0829      2.00000
    159      -1.0258      2.00000
    160      -0.9919      2.00000
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    162      -0.9045      2.00000
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    169      -0.6704      2.00000
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    171      -0.6070      2.00000
    172      -0.5808      2.00000
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    175      -0.3108      2.00000
    176      -0.3042      2.00000
    177      -0.1378      2.00000
    178      -0.1293      2.00000
    179       0.0722      2.00000
    180       0.0920      2.00000
    181       0.3456      2.00000
    182       0.3613      2.00000
    183       0.4696      2.00000
    184       0.4711      2.00000
    185       5.8489      0.00000
    186       5.9654      0.00000
    187       6.0009      0.00000
    188       6.0576      0.00000
    189       6.0831      0.00000
    190       6.1940      0.00000
    191       6.5096      0.00000
    192       6.5268      0.00000
    193       6.5540      0.00000
    194       6.6187      0.00000
    195       6.7223      0.00000
    196       6.9080      0.00000
    197       7.4204      0.00000
    198       7.5968      0.00000
    199       7.8986      0.00000
    200       8.2181      0.00000
    201       8.7470      0.00000
    202       8.9437      0.00000
    203       9.0775      0.00000
    204       9.2099      0.00000
    205       9.2123      0.00000
    206       9.2568      0.00000
    207       9.4130      0.00000
    208       9.5546      0.00000
    209       9.6708      0.00000
    210       9.8043      0.00000
    211       9.9079      0.00000
    212      10.1343      0.00000
    213      10.2944      0.00000
    214      10.4081      0.00000
    215      10.5588      0.00000
    216      10.6023      0.00000
    217      10.6572      0.00000
    218      10.7110      0.00000
    219      10.7921      0.00000
    220      10.8767      0.00000
    221      10.9192      0.00000
    222      10.9618      0.00000
    223      11.0447      0.00000
    224      11.0566      0.00000
    225      11.1515      0.00000
    226      11.2399      0.00000
    227      11.2898      0.00000
    228      11.3981      0.00000
    229      11.4724      0.00000
    230      11.5780      0.00000
    231      11.7567      0.00000
    232      11.8122      0.00000
    233      11.9042      0.00000
    234      12.0286      0.00000
    235      12.0613      0.00000
    236      12.1431      0.00000
    237      12.1951      0.00000
    238      12.2325      0.00000
    239      12.3343      0.00000
    240      12.3448      0.00000
    241      12.3984      0.00000
    242      12.4700      0.00000
    243      12.5144      0.00000
    244      12.6216      0.00000
    245      12.6421      0.00000
    246      12.6852      0.00000
    247      12.7870      0.00000
    248      12.8201      0.00000
    249      12.8715      0.00000
    250      12.9288      0.00000
    251      12.9911      0.00000
    252      13.0989      0.00000
    253      13.1671      0.00000
    254      13.2559      0.00000
    255      13.2947      0.00000
    256      13.3857      0.00000

 k-point   162 :       0.5000    0.2857    0.5000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0262      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2236      2.00000
     42     -21.2235      2.00000
     43     -21.1887      2.00000
     44     -21.1886      2.00000
     45     -20.9433      2.00000
     46     -20.9431      2.00000
     47     -20.9053      2.00000
     48     -20.9051      2.00000
     49     -19.2990      2.00000
     50     -19.2988      2.00000
     51     -19.2879      2.00000
     52     -19.2877      2.00000
     53     -18.6864      2.00000
     54     -18.6864      2.00000
     55     -18.6655      2.00000
     56     -18.6654      2.00000
     57     -18.2467      2.00000
     58     -18.2465      2.00000
     59     -18.1646      2.00000
     60     -18.1645      2.00000
     61     -18.0995      2.00000
     62     -18.0994      2.00000
     63     -18.0845      2.00000
     64     -18.0844      2.00000
     65     -17.8857      2.00000
     66     -17.8854      2.00000
     67     -17.8622      2.00000
     68     -17.8619      2.00000
     69     -17.7556      2.00000
     70     -17.7554      2.00000
     71     -17.6771      2.00000
     72     -17.6769      2.00000
     73     -17.3012      2.00000
     74     -17.3011      2.00000
     75     -17.2872      2.00000
     76     -17.2872      2.00000
     77      -7.8912      2.00000
     78      -7.8911      2.00000
     79      -7.7565      2.00000
     80      -7.7564      2.00000
     81      -7.6479      2.00000
     82      -7.6476      2.00000
     83      -7.4649      2.00000
     84      -7.4648      2.00000
     85      -7.1313      2.00000
     86      -7.1311      2.00000
     87      -7.0403      2.00000
     88      -7.0397      2.00000
     89      -6.5885      2.00000
     90      -6.5880      2.00000
     91      -6.5526      2.00000
     92      -6.5522      2.00000
     93      -6.2277      2.00000
     94      -6.2275      2.00000
     95      -6.1524      2.00000
     96      -6.1522      2.00000
     97      -5.8537      2.00000
     98      -5.8534      2.00000
     99      -5.6702      2.00000
    100      -5.6699      2.00000
    101      -5.5212      2.00000
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    103      -5.4552      2.00000
    104      -5.4552      2.00000
    105      -5.3249      2.00000
    106      -5.3247      2.00000
    107      -5.2672      2.00000
    108      -5.2669      2.00000
    109      -5.1701      2.00000
    110      -5.1700      2.00000
    111      -5.0448      2.00000
    112      -5.0446      2.00000
    113      -4.8220      2.00000
    114      -4.8218      2.00000
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    116      -4.7558      2.00000
    117      -4.5487      2.00000
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    120      -4.4772      2.00000
    121      -4.0260      2.00000
    122      -4.0256      2.00000
    123      -3.9696      2.00000
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    143      -1.6809      2.00000
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    150      -1.3633      2.00000
    151      -1.3315      2.00000
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    180       0.0800      2.00000
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    182       0.3569      2.00000
    183       0.4709      2.00000
    184       0.4711      2.00000
    185       5.9425      0.00000
    186       5.9428      0.00000
    187       5.9996      0.00000
    188       5.9998      0.00000
    189       6.0977      0.00000
    190       6.0980      0.00000
    191       6.5327      0.00000
    192       6.5338      0.00000
    193       6.5899      0.00000
    194       6.5904      0.00000
    195       6.8461      0.00000
    196       6.8464      0.00000
    197       7.4826      0.00000
    198       7.4829      0.00000
    199       8.0234      0.00000
    200       8.0239      0.00000
    201       8.8754      0.00000
    202       8.8758      0.00000
    203       9.1903      0.00000
    204       9.1910      0.00000
    205       9.2743      0.00000
    206       9.2748      0.00000
    207       9.3901      0.00000
    208       9.3901      0.00000
    209       9.7953      0.00000
    210       9.7957      0.00000
    211      10.0020      0.00000
    212      10.0021      0.00000
    213      10.2873      0.00000
    214      10.2875      0.00000
    215      10.5742      0.00000
    216      10.5747      0.00000
    217      10.7239      0.00000
    218      10.7241      0.00000
    219      10.8661      0.00000
    220      10.8665      0.00000
    221      10.9667      0.00000
    222      10.9670      0.00000
    223      10.9952      0.00000
    224      10.9958      0.00000
    225      11.1924      0.00000
    226      11.1929      0.00000
    227      11.3427      0.00000
    228      11.3429      0.00000
    229      11.5481      0.00000
    230      11.5485      0.00000
    231      11.7835      0.00000
    232      11.7838      0.00000
    233      11.9413      0.00000
    234      11.9415      0.00000
    235      12.1018      0.00000
    236      12.1022      0.00000
    237      12.2250      0.00000
    238      12.2261      0.00000
    239      12.2935      0.00000
    240      12.2946      0.00000
    241      12.4238      0.00000
    242      12.4250      0.00000
    243      12.5610      0.00000
    244      12.5618      0.00000
    245      12.6668      0.00000
    246      12.6668      0.00000
    247      12.8377      0.00000
    248      12.8387      0.00000
    249      12.9553      0.00000
    250      12.9558      0.00000
    251      13.0540      0.00000
    252      13.0544      0.00000
    253      13.1606      0.00000
    254      13.1618      0.00000
    255      13.3613      0.00000
    256      13.3623      0.00000

 k-point   163 :      -0.3333    0.2857    0.5000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2243      2.00000
     42     -21.2228      2.00000
     43     -21.1888      2.00000
     44     -21.1885      2.00000
     45     -20.9441      2.00000
     46     -20.9422      2.00000
     47     -20.9056      2.00000
     48     -20.9048      2.00000
     49     -19.3005      2.00000
     50     -19.2972      2.00000
     51     -19.2892      2.00000
     52     -19.2858      2.00000
     53     -18.6896      2.00000
     54     -18.6837      2.00000
     55     -18.6696      2.00000
     56     -18.6626      2.00000
     57     -18.2485      2.00000
     58     -18.2441      2.00000
     59     -18.1669      2.00000
     60     -18.1607      2.00000
     61     -18.1018      2.00000
     62     -18.0975      2.00000
     63     -18.0848      2.00000
     64     -18.0846      2.00000
     65     -17.8891      2.00000
     66     -17.8821      2.00000
     67     -17.8625      2.00000
     68     -17.8610      2.00000
     69     -17.7560      2.00000
     70     -17.7549      2.00000
     71     -17.6776      2.00000
     72     -17.6766      2.00000
     73     -17.3018      2.00000
     74     -17.3003      2.00000
     75     -17.2881      2.00000
     76     -17.2868      2.00000
     77      -7.9109      2.00000
     78      -7.8790      2.00000
     79      -7.7874      2.00000
     80      -7.7169      2.00000
     81      -7.7014      2.00000
     82      -7.5990      2.00000
     83      -7.4915      2.00000
     84      -7.4264      2.00000
     85      -7.1398      2.00000
     86      -7.1113      2.00000
     87      -7.0515      2.00000
     88      -7.0365      2.00000
     89      -6.6105      2.00000
     90      -6.5793      2.00000
     91      -6.5517      2.00000
     92      -6.5378      2.00000
     93      -6.2366      2.00000
     94      -6.2234      2.00000
     95      -6.1589      2.00000
     96      -6.1492      2.00000
     97      -5.8714      2.00000
     98      -5.8534      2.00000
     99      -5.6759      2.00000
    100      -5.6477      2.00000
    101      -5.5485      2.00000
    102      -5.4945      2.00000
    103      -5.4602      2.00000
    104      -5.4540      2.00000
    105      -5.3485      2.00000
    106      -5.3063      2.00000
    107      -5.2816      2.00000
    108      -5.2538      2.00000
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    110      -5.1732      2.00000
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    112      -5.0360      2.00000
    113      -4.8188      2.00000
    114      -4.7750      2.00000
    115      -4.7480      2.00000
    116      -4.7381      2.00000
    117      -4.5746      2.00000
    118      -4.5310      2.00000
    119      -4.4924      2.00000
    120      -4.4644      2.00000
    121      -4.0561      2.00000
    122      -4.0198      2.00000
    123      -3.9732      2.00000
    124      -3.9497      2.00000
    125      -3.6569      2.00000
    126      -3.6324      2.00000
    127      -3.5876      2.00000
    128      -3.5464      2.00000
    129      -2.6085      2.00000
    130      -2.5811      2.00000
    131      -2.3837      2.00000
    132      -2.3674      2.00000
    133      -2.2294      2.00000
    134      -2.2102      2.00000
    135      -2.0894      2.00000
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    256      13.4029      0.00000

 k-point   164 :      -0.1667    0.2857    0.5000
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      2     -72.4432      2.00000
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     11     -39.2154      2.00000
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     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2243      2.00000
     42     -21.2228      2.00000
     43     -21.1888      2.00000
     44     -21.1885      2.00000
     45     -20.9442      2.00000
     46     -20.9422      2.00000
     47     -20.9056      2.00000
     48     -20.9048      2.00000
     49     -19.3007      2.00000
     50     -19.2978      2.00000
     51     -19.2879      2.00000
     52     -19.2849      2.00000
     53     -18.6909      2.00000
     54     -18.6854      2.00000
     55     -18.6697      2.00000
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     57     -18.2482      2.00000
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     59     -18.1652      2.00000
     60     -18.1591      2.00000
     61     -18.1020      2.00000
     62     -18.0971      2.00000
     63     -18.0863      2.00000
     64     -18.0859      2.00000
     65     -17.8888      2.00000
     66     -17.8818      2.00000
     67     -17.8622      2.00000
     68     -17.8605      2.00000
     69     -17.7558      2.00000
     70     -17.7548      2.00000
     71     -17.6777      2.00000
     72     -17.6767      2.00000
     73     -17.3016      2.00000
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     79      -7.7986      2.00000
     80      -7.7596      2.00000
     81      -7.6570      2.00000
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     87      -7.0709      2.00000
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     89      -6.6114      2.00000
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 k-point   165 :      -0.0000    0.4286    0.5000
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
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      5     -72.2770      2.00000
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     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2127      2.00000
     42     -21.2127      2.00000
     43     -21.1998      2.00000
     44     -21.1997      2.00000
     45     -20.9324      2.00000
     46     -20.9321      2.00000
     47     -20.9167      2.00000
     48     -20.9165      2.00000
     49     -19.2961      2.00000
     50     -19.2958      2.00000
     51     -19.2895      2.00000
     52     -19.2892      2.00000
     53     -18.6826      2.00000
     54     -18.6825      2.00000
     55     -18.6717      2.00000
     56     -18.6716      2.00000
     57     -18.2261      2.00000
     58     -18.2260      2.00000
     59     -18.1816      2.00000
     60     -18.1815      2.00000
     61     -18.0976      2.00000
     62     -18.0975      2.00000
     63     -18.0891      2.00000
     64     -18.0891      2.00000
     65     -17.8827      2.00000
     66     -17.8823      2.00000
     67     -17.8661      2.00000
     68     -17.8656      2.00000
     69     -17.7330      2.00000
     70     -17.7326      2.00000
     71     -17.6991      2.00000
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     77      -7.8775      2.00000
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     80      -7.7825      2.00000
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     84      -7.5131      2.00000
     85      -7.0854      2.00000
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     87      -7.0683      2.00000
     88      -7.0680      2.00000
     89      -6.5870      2.00000
     90      -6.5863      2.00000
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    215      10.5030      0.00000
    216      10.5037      0.00000
    217      10.7315      0.00000
    218      10.7318      0.00000
    219      10.8568      0.00000
    220      10.8570      0.00000
    221      10.9419      0.00000
    222      10.9423      0.00000
    223      11.0178      0.00000
    224      11.0184      0.00000
    225      11.1999      0.00000
    226      11.2004      0.00000
    227      11.2953      0.00000
    228      11.2958      0.00000
    229      11.4559      0.00000
    230      11.4564      0.00000
    231      11.8733      0.00000
    232      11.8737      0.00000
    233      12.0081      0.00000
    234      12.0090      0.00000
    235      12.0272      0.00000
    236      12.0281      0.00000
    237      12.1722      0.00000
    238      12.1724      0.00000
    239      12.3754      0.00000
    240      12.3760      0.00000
    241      12.4208      0.00000
    242      12.4213      0.00000
    243      12.5359      0.00000
    244      12.5374      0.00000
    245      12.6762      0.00000
    246      12.6769      0.00000
    247      12.8097      0.00000
    248      12.8100      0.00000
    249      12.9425      0.00000
    250      12.9431      0.00000
    251      13.0085      0.00000
    252      13.0103      0.00000
    253      13.1808      0.00000
    254      13.1829      0.00000
    255      13.2492      0.00000
    256      13.2502      0.00000

 k-point   166 :       0.1667    0.4286    0.5000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2133      2.00000
     42     -21.2122      2.00000
     43     -21.2001      2.00000
     44     -21.1994      2.00000
     45     -20.9328      2.00000
     46     -20.9317      2.00000
     47     -20.9169      2.00000
     48     -20.9162      2.00000
     49     -19.2969      2.00000
     50     -19.2945      2.00000
     51     -19.2911      2.00000
     52     -19.2888      2.00000
     53     -18.6837      2.00000
     54     -18.6792      2.00000
     55     -18.6745      2.00000
     56     -18.6695      2.00000
     57     -18.2273      2.00000
     58     -18.2234      2.00000
     59     -18.1855      2.00000
     60     -18.1809      2.00000
     61     -18.0993      2.00000
     62     -18.0972      2.00000
     63     -18.0880      2.00000
     64     -18.0876      2.00000
     65     -17.8845      2.00000
     66     -17.8820      2.00000
     67     -17.8660      2.00000
     68     -17.8649      2.00000
     69     -17.7331      2.00000
     70     -17.7327      2.00000
     71     -17.6990      2.00000
     72     -17.6986      2.00000
     73     -17.2971      2.00000
     74     -17.2951      2.00000
     75     -17.2924      2.00000
     76     -17.2903      2.00000
     77      -7.8801      2.00000
     78      -7.8645      2.00000
     79      -7.7841      2.00000
     80      -7.7609      2.00000
     81      -7.6269      2.00000
     82      -7.5614      2.00000
     83      -7.5461      2.00000
     84      -7.4887      2.00000
     85      -7.1148      2.00000
     86      -7.0978      2.00000
     87      -7.0567      2.00000
     88      -7.0448      2.00000
     89      -6.6020      2.00000
     90      -6.5905      2.00000
     91      -6.5456      2.00000
     92      -6.5387      2.00000
     93      -6.2326      2.00000
     94      -6.2210      2.00000
     95      -6.1942      2.00000
     96      -6.1855      2.00000
     97      -5.8647      2.00000
     98      -5.8583      2.00000
     99      -5.6842      2.00000
    100      -5.6722      2.00000
    101      -5.5158      2.00000
    102      -5.4896      2.00000
    103      -5.4853      2.00000
    104      -5.4730      2.00000
    105      -5.3060      2.00000
    106      -5.2973      2.00000
    107      -5.2482      2.00000
    108      -5.2240      2.00000
    109      -5.2143      2.00000
    110      -5.1920      2.00000
    111      -5.1298      2.00000
    112      -5.1075      2.00000
    113      -4.7567      2.00000
    114      -4.7433      2.00000
    115      -4.7172      2.00000
    116      -4.7046      2.00000
    117      -4.5613      2.00000
    118      -4.5374      2.00000
    119      -4.5143      2.00000
    120      -4.4984      2.00000
    121      -4.0641      2.00000
    122      -4.0527      2.00000
    123      -3.9568      2.00000
    124      -3.9498      2.00000
    125      -3.6229      2.00000
    126      -3.6094      2.00000
    127      -3.5838      2.00000
    128      -3.5640      2.00000
    129      -2.5286      2.00000
    130      -2.5094      2.00000
    131      -2.3465      2.00000
    132      -2.3124      2.00000
    133      -2.2241      2.00000
    134      -2.2017      2.00000
    135      -2.1512      2.00000
    136      -2.1163      2.00000
    137      -1.9732      2.00000
    138      -1.9632      2.00000
    139      -1.8554      2.00000
    140      -1.8395      2.00000
    141      -1.8150      2.00000
    142      -1.8011      2.00000
    143      -1.6724      2.00000
    144      -1.6470      2.00000
    145      -1.5052      2.00000
    146      -1.4849      2.00000
    147      -1.4162      2.00000
    148      -1.4106      2.00000
    149      -1.3975      2.00000
    150      -1.3813      2.00000
    151      -1.2991      2.00000
    152      -1.2785      2.00000
    153      -1.2433      2.00000
    154      -1.2306      2.00000
    155      -1.1459      2.00000
    156      -1.1346      2.00000
    157      -1.1169      2.00000
    158      -1.0986      2.00000
    159      -1.0230      2.00000
    160      -1.0085      2.00000
    161      -0.8932      2.00000
    162      -0.8699      2.00000
    163      -0.8611      2.00000
    164      -0.8406      2.00000
    165      -0.7539      2.00000
    166      -0.7383      2.00000
    167      -0.7157      2.00000
    168      -0.7044      2.00000
    169      -0.6811      2.00000
    170      -0.6468      2.00000
    171      -0.6083      2.00000
    172      -0.5986      2.00000
    173      -0.4114      2.00000
    174      -0.3919      2.00000
    175      -0.3258      2.00000
    176      -0.3205      2.00000
    177      -0.0666      2.00000
    178      -0.0623      2.00000
    179       0.0148      2.00000
    180       0.0242      2.00000
    181       0.3643      2.00000
    182       0.3707      2.00000
    183       0.4478      2.00000
    184       0.4490      2.00000
    185       5.9538      0.00000
    186       5.9756      0.00000
    187       6.0470      0.00000
    188       6.0595      0.00000
    189       6.1186      0.00000
    190       6.2379      0.00000
    191       6.4626      0.00000
    192       6.5061      0.00000
    193       6.5973      0.00000
    194       6.6272      0.00000
    195       6.7282      0.00000
    196       6.7810      0.00000
    197       7.3412      0.00000
    198       7.4179      0.00000
    199       7.9472      0.00000
    200       8.0807      0.00000
    201       8.7818      0.00000
    202       8.8656      0.00000
    203       9.1820      0.00000
    204       9.2330      0.00000
    205       9.2638      0.00000
    206       9.2654      0.00000
    207       9.5208      0.00000
    208       9.6427      0.00000
    209       9.8199      0.00000
    210       9.9760      0.00000
    211      10.0262      0.00000
    212      10.1070      0.00000
    213      10.2321      0.00000
    214      10.3163      0.00000
    215      10.4582      0.00000
    216      10.5455      0.00000
    217      10.6807      0.00000
    218      10.7320      0.00000
    219      10.7653      0.00000
    220      10.8240      0.00000
    221      10.9287      0.00000
    222      10.9734      0.00000
    223      11.0112      0.00000
    224      11.1199      0.00000
    225      11.1651      0.00000
    226      11.1810      0.00000
    227      11.2179      0.00000
    228      11.3335      0.00000
    229      11.3971      0.00000
    230      11.4764      0.00000
    231      11.8216      0.00000
    232      11.8513      0.00000
    233      11.9301      0.00000
    234      11.9598      0.00000
    235      12.1031      0.00000
    236      12.1229      0.00000
    237      12.1805      0.00000
    238      12.2149      0.00000
    239      12.3242      0.00000
    240      12.3872      0.00000
    241      12.4630      0.00000
    242      12.5235      0.00000
    243      12.5486      0.00000
    244      12.5671      0.00000
    245      12.6385      0.00000
    246      12.6488      0.00000
    247      12.7771      0.00000
    248      12.8179      0.00000
    249      12.8601      0.00000
    250      12.9179      0.00000
    251      13.0133      0.00000
    252      13.0985      0.00000
    253      13.1577      0.00000
    254      13.1971      0.00000
    255      13.2878      0.00000
    256      13.3343      0.00000

 k-point   167 :       0.3333    0.4286    0.5000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2133      2.00000
     42     -21.2122      2.00000
     43     -21.2001      2.00000
     44     -21.1994      2.00000
     45     -20.9329      2.00000
     46     -20.9318      2.00000
     47     -20.9168      2.00000
     48     -20.9161      2.00000
     49     -19.2969      2.00000
     50     -19.2936      2.00000
     51     -19.2927      2.00000
     52     -19.2894      2.00000
     53     -18.6826      2.00000
     54     -18.6774      2.00000
     55     -18.6746      2.00000
     56     -18.6689      2.00000
     57     -18.2260      2.00000
     58     -18.2216      2.00000
     59     -18.1890      2.00000
     60     -18.1839      2.00000
     61     -18.0993      2.00000
     62     -18.0975      2.00000
     63     -18.0866      2.00000
     64     -18.0865      2.00000
     65     -17.8851      2.00000
     66     -17.8828      2.00000
     67     -17.8659      2.00000
     68     -17.8649      2.00000
     69     -17.7332      2.00000
     70     -17.7329      2.00000
     71     -17.6989      2.00000
     72     -17.6985      2.00000
     73     -17.2971      2.00000
     74     -17.2952      2.00000
     75     -17.2920      2.00000
     76     -17.2901      2.00000
     77      -7.8679      2.00000
     78      -7.8479      2.00000
     79      -7.7792      2.00000
     80      -7.7449      2.00000
     81      -7.6474      2.00000
     82      -7.5675      2.00000
     83      -7.5646      2.00000
     84      -7.4988      2.00000
     85      -7.1336      2.00000
     86      -7.1231      2.00000
     87      -7.0390      2.00000
     88      -7.0331      2.00000
     89      -6.6017      2.00000
     90      -6.5912      2.00000
     91      -6.5484      2.00000
     92      -6.5445      2.00000
     93      -6.2236      2.00000
     94      -6.2100      2.00000
     95      -6.1921      2.00000
     96      -6.1812      2.00000
     97      -5.8449      2.00000
     98      -5.8370      2.00000
     99      -5.7011      2.00000
    100      -5.6901      2.00000
    101      -5.5182      2.00000
    102      -5.4988      2.00000
    103      -5.4763      2.00000
    104      -5.4706      2.00000
    105      -5.3018      2.00000
    106      -5.2902      2.00000
    107      -5.2491      2.00000
    108      -5.2473      2.00000
    109      -5.1863      2.00000
    110      -5.1809      2.00000
    111      -5.0961      2.00000
    112      -5.0788      2.00000
    113      -4.7953      2.00000
    114      -4.7712      2.00000
    115      -4.7574      2.00000
    116      -4.7468      2.00000
    117      -4.5513      2.00000
    118      -4.5373      2.00000
    119      -4.5027      2.00000
    120      -4.4926      2.00000
    121      -4.0420      2.00000
    122      -4.0264      2.00000
    123      -3.9752      2.00000
    124      -3.9636      2.00000
    125      -3.6265      2.00000
    126      -3.6175      2.00000
    127      -3.5694      2.00000
    128      -3.5544      2.00000
    129      -2.5286      2.00000
    130      -2.5083      2.00000
    131      -2.3475      2.00000
    132      -2.3118      2.00000
    133      -2.2121      2.00000
    134      -2.1984      2.00000
    135      -2.1620      2.00000
    136      -2.1213      2.00000
    137      -1.9550      2.00000
    138      -1.9311      2.00000
    139      -1.8583      2.00000
    140      -1.8418      2.00000
    141      -1.8065      2.00000
    142      -1.7734      2.00000
    143      -1.7206      2.00000
    144      -1.6759      2.00000
    145      -1.5008      2.00000
    146      -1.4814      2.00000
    147      -1.4358      2.00000
    148      -1.4255      2.00000
    149      -1.3896      2.00000
    150      -1.3631      2.00000
    151      -1.3169      2.00000
    152      -1.2997      2.00000
    153      -1.2302      2.00000
    154      -1.2178      2.00000
    155      -1.1695      2.00000
    156      -1.1640      2.00000
    157      -1.0946      2.00000
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    159      -1.0207      2.00000
    160      -0.9994      2.00000
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    168      -0.7036      2.00000
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    175      -0.3179      2.00000
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    177      -0.0681      2.00000
    178      -0.0637      2.00000
    179       0.0122      2.00000
    180       0.0214      2.00000
    181       0.3694      2.00000
    182       0.3757      2.00000
    183       0.4495      2.00000
    184       0.4507      2.00000
    185       5.9744      0.00000
    186       5.9915      0.00000
    187       6.0305      0.00000
    188       6.0573      0.00000
    189       6.1011      0.00000
    190       6.1971      0.00000
    191       6.4598      0.00000
    192       6.5039      0.00000
    193       6.6261      0.00000
    194       6.6596      0.00000
    195       6.7221      0.00000
    196       6.7834      0.00000
    197       7.3428      0.00000
    198       7.4181      0.00000
    199       7.9218      0.00000
    200       8.0621      0.00000
    201       8.7642      0.00000
    202       8.8434      0.00000
    203       9.1620      0.00000
    204       9.2075      0.00000
    205       9.3081      0.00000
    206       9.3235      0.00000
    207       9.5612      0.00000
    208       9.6520      0.00000
    209       9.8669      0.00000
    210       9.9625      0.00000
    211      10.0404      0.00000
    212      10.1785      0.00000
    213      10.2309      0.00000
    214      10.3304      0.00000
    215      10.3884      0.00000
    216      10.5240      0.00000
    217      10.6855      0.00000
    218      10.6915      0.00000
    219      10.7418      0.00000
    220      10.7645      0.00000
    221      10.9078      0.00000
    222      10.9643      0.00000
    223      11.0597      0.00000
    224      11.1040      0.00000
    225      11.1276      0.00000
    226      11.2123      0.00000
    227      11.2422      0.00000
    228      11.2934      0.00000
    229      11.4220      0.00000
    230      11.4846      0.00000
    231      11.7788      0.00000
    232      11.7944      0.00000
    233      11.9230      0.00000
    234      11.9664      0.00000
    235      12.1157      0.00000
    236      12.1392      0.00000
    237      12.2263      0.00000
    238      12.2797      0.00000
    239      12.3084      0.00000
    240      12.3383      0.00000
    241      12.4446      0.00000
    242      12.4747      0.00000
    243      12.5585      0.00000
    244      12.6308      0.00000
    245      12.6864      0.00000
    246      12.7002      0.00000
    247      12.7272      0.00000
    248      12.8117      0.00000
    249      12.8904      0.00000
    250      12.9002      0.00000
    251      12.9973      0.00000
    252      13.0904      0.00000
    253      13.1959      0.00000
    254      13.2456      0.00000
    255      13.3006      0.00000
    256      13.3586      0.00000

 k-point   168 :       0.5000    0.4286    0.5000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0262      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4787      2.00000
     41     -21.2128      2.00000
     42     -21.2127      2.00000
     43     -21.1998      2.00000
     44     -21.1997      2.00000
     45     -20.9325      2.00000
     46     -20.9322      2.00000
     47     -20.9166      2.00000
     48     -20.9163      2.00000
     49     -19.2959      2.00000
     50     -19.2956      2.00000
     51     -19.2910      2.00000
     52     -19.2908      2.00000
     53     -18.6803      2.00000
     54     -18.6801      2.00000
     55     -18.6708      2.00000
     56     -18.6707      2.00000
     57     -18.2231      2.00000
     58     -18.2230      2.00000
     59     -18.1881      2.00000
     60     -18.1880      2.00000
     61     -18.0980      2.00000
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     63     -18.0865      2.00000
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     67     -17.8659      2.00000
     68     -17.8655      2.00000
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     70     -17.7329      2.00000
     71     -17.6988      2.00000
     72     -17.6985      2.00000
     73     -17.2963      2.00000
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     75     -17.2908      2.00000
     76     -17.2907      2.00000
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     78      -7.8481      2.00000
     79      -7.7676      2.00000
     80      -7.7673      2.00000
     81      -7.6088      2.00000
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     84      -7.5370      2.00000
     85      -7.1361      2.00000
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     89      -6.5858      2.00000
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     92      -6.5582      2.00000
     93      -6.2126      2.00000
     94      -6.2125      2.00000
     95      -6.1853      2.00000
     96      -6.1850      2.00000
     97      -5.8300      2.00000
     98      -5.8295      2.00000
     99      -5.7052      2.00000
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    106      -5.2908      2.00000
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    110      -5.1712      2.00000
    111      -5.0722      2.00000
    112      -5.0719      2.00000
    113      -4.8067      2.00000
    114      -4.8063      2.00000
    115      -4.7676      2.00000
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    118      -4.5373      2.00000
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    123      -3.9864      2.00000
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    132      -2.3329      2.00000
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    147      -1.4436      2.00000
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    150      -1.3730      2.00000
    151      -1.3150      2.00000
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    179       0.0152      2.00000
    180       0.0155      2.00000
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    182       0.3754      2.00000
    183       0.4506      2.00000
    184       0.4510      2.00000
    185       6.0024      0.00000
    186       6.0026      0.00000
    187       6.0371      0.00000
    188       6.0375      0.00000
    189       6.1316      0.00000
    190       6.1319      0.00000
    191       6.4531      0.00000
    192       6.4534      0.00000
    193       6.6484      0.00000
    194       6.6492      0.00000
    195       6.7703      0.00000
    196       6.7708      0.00000
    197       7.4720      0.00000
    198       7.4722      0.00000
    199       7.8386      0.00000
    200       7.8391      0.00000
    201       8.9053      0.00000
    202       8.9058      0.00000
    203       9.1668      0.00000
    204       9.1677      0.00000
    205       9.4197      0.00000
    206       9.4204      0.00000
    207       9.5000      0.00000
    208       9.5001      0.00000
    209       9.9417      0.00000
    210       9.9421      0.00000
    211      10.0610      0.00000
    212      10.0616      0.00000
    213      10.2528      0.00000
    214      10.2532      0.00000
    215      10.4500      0.00000
    216      10.4505      0.00000
    217      10.6934      0.00000
    218      10.6938      0.00000
    219      10.8052      0.00000
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    223      10.9820      0.00000
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    225      11.1682      0.00000
    226      11.1687      0.00000
    227      11.3506      0.00000
    228      11.3510      0.00000
    229      11.4414      0.00000
    230      11.4418      0.00000
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    232      11.7694      0.00000
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    234      11.9450      0.00000
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    236      12.1409      0.00000
    237      12.2574      0.00000
    238      12.2582      0.00000
    239      12.3300      0.00000
    240      12.3309      0.00000
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    253      13.1391      0.00000
    254      13.1396      0.00000
    255      13.3664      0.00000
    256      13.3699      0.00000

 k-point   169 :      -0.3333    0.4286    0.5000
  band No.  band energies     occupation 
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      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0273      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2133      2.00000
     42     -21.2121      2.00000
     43     -21.2001      2.00000
     44     -21.1994      2.00000
     45     -20.9331      2.00000
     46     -20.9315      2.00000
     47     -20.9170      2.00000
     48     -20.9159      2.00000
     49     -19.2969      2.00000
     50     -19.2937      2.00000
     51     -19.2927      2.00000
     52     -19.2894      2.00000
     53     -18.6826      2.00000
     54     -18.6773      2.00000
     55     -18.6746      2.00000
     56     -18.6689      2.00000
     57     -18.2260      2.00000
     58     -18.2216      2.00000
     59     -18.1890      2.00000
     60     -18.1839      2.00000
     61     -18.0993      2.00000
     62     -18.0975      2.00000
     63     -18.0866      2.00000
     64     -18.0865      2.00000
     65     -17.8855      2.00000
     66     -17.8823      2.00000
     67     -17.8660      2.00000
     68     -17.8649      2.00000
     69     -17.7336      2.00000
     70     -17.7325      2.00000
     71     -17.6992      2.00000
     72     -17.6982      2.00000
     73     -17.2971      2.00000
     74     -17.2951      2.00000
     75     -17.2920      2.00000
     76     -17.2902      2.00000
     77      -7.8679      2.00000
     78      -7.8479      2.00000
     79      -7.7795      2.00000
     80      -7.7446      2.00000
     81      -7.6473      2.00000
     82      -7.5679      2.00000
     83      -7.5645      2.00000
     84      -7.4986      2.00000
     85      -7.1337      2.00000
     86      -7.1230      2.00000
     87      -7.0386      2.00000
     88      -7.0336      2.00000
     89      -6.6021      2.00000
     90      -6.5906      2.00000
     91      -6.5487      2.00000
     92      -6.5443      2.00000
     93      -6.2236      2.00000
     94      -6.2101      2.00000
     95      -6.1922      2.00000
     96      -6.1812      2.00000
     97      -5.8453      2.00000
     98      -5.8367      2.00000
     99      -5.7011      2.00000
    100      -5.6900      2.00000
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    113      -4.7951      2.00000
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    184       0.4507      2.00000
    185       5.9742      0.00000
    186       5.9916      0.00000
    187       6.0306      0.00000
    188       6.0571      0.00000
    189       6.1011      0.00000
    190       6.1974      0.00000
    191       6.4594      0.00000
    192       6.5043      0.00000
    193       6.6267      0.00000
    194       6.6595      0.00000
    195       6.7214      0.00000
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    200       8.0622      0.00000
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    202       8.8433      0.00000
    203       9.1615      0.00000
    204       9.2081      0.00000
    205       9.3080      0.00000
    206       9.3237      0.00000
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    208       9.6516      0.00000
    209       9.8669      0.00000
    210       9.9628      0.00000
    211      10.0397      0.00000
    212      10.1791      0.00000
    213      10.2308      0.00000
    214      10.3305      0.00000
    215      10.3887      0.00000
    216      10.5237      0.00000
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    223      11.0597      0.00000
    224      11.1037      0.00000
    225      11.1275      0.00000
    226      11.2122      0.00000
    227      11.2424      0.00000
    228      11.2936      0.00000
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    230      11.4847      0.00000
    231      11.7784      0.00000
    232      11.7947      0.00000
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    236      12.1392      0.00000
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    238      12.2800      0.00000
    239      12.3089      0.00000
    240      12.3378      0.00000
    241      12.4450      0.00000
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    243      12.5591      0.00000
    244      12.6313      0.00000
    245      12.6857      0.00000
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    247      12.7278      0.00000
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    250      12.8998      0.00000
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    253      13.1956      0.00000
    254      13.2442      0.00000
    255      13.3018      0.00000
    256      13.3584      0.00000

 k-point   170 :      -0.1667    0.4286    0.5000
  band No.  band energies     occupation 
      1     -72.4433      2.00000
      2     -72.4432      2.00000
      3     -72.4428      2.00000
      4     -72.4426      2.00000
      5     -72.2770      2.00000
      6     -72.2767      2.00000
      7     -72.2767      2.00000
      8     -72.2763      2.00000
      9     -71.7458      2.00000
     10     -71.7455      2.00000
     11     -39.2154      2.00000
     12     -39.2152      2.00000
     13     -39.2149      2.00000
     14     -39.2146      2.00000
     15     -39.2061      2.00000
     16     -39.2060      2.00000
     17     -39.2007      2.00000
     18     -39.2006      2.00000
     19     -39.1846      2.00000
     20     -39.1844      2.00000
     21     -39.1842      2.00000
     22     -39.1838      2.00000
     23     -39.0468      2.00000
     24     -39.0464      2.00000
     25     -39.0422      2.00000
     26     -39.0418      2.00000
     27     -39.0333      2.00000
     28     -39.0332      2.00000
     29     -39.0331      2.00000
     30     -39.0328      2.00000
     31     -39.0274      2.00000
     32     -39.0271      2.00000
     33     -39.0261      2.00000
     34     -39.0258      2.00000
     35     -38.5350      2.00000
     36     -38.5347      2.00000
     37     -38.5041      2.00000
     38     -38.5038      2.00000
     39     -38.4790      2.00000
     40     -38.4786      2.00000
     41     -21.2133      2.00000
     42     -21.2121      2.00000
     43     -21.2001      2.00000
     44     -21.1994      2.00000
     45     -20.9330      2.00000
     46     -20.9315      2.00000
     47     -20.9171      2.00000
     48     -20.9160      2.00000
     49     -19.2969      2.00000
     50     -19.2945      2.00000
     51     -19.2912      2.00000
     52     -19.2887      2.00000
     53     -18.6837      2.00000
     54     -18.6792      2.00000
     55     -18.6744      2.00000
     56     -18.6695      2.00000
     57     -18.2272      2.00000
     58     -18.2234      2.00000
     59     -18.1854      2.00000
     60     -18.1809      2.00000
     61     -18.0992      2.00000
     62     -18.0973      2.00000
     63     -18.0880      2.00000
     64     -18.0876      2.00000
     65     -17.8849      2.00000
     66     -17.8816      2.00000
     67     -17.8661      2.00000
     68     -17.8649      2.00000
     69     -17.7334      2.00000
     70     -17.7324      2.00000
     71     -17.6994      2.00000
     72     -17.6983      2.00000
     73     -17.2971      2.00000
     74     -17.2950      2.00000
     75     -17.2924      2.00000
     76     -17.2904      2.00000
     77      -7.8802      2.00000
     78      -7.8643      2.00000
     79      -7.7845      2.00000
     80      -7.7605      2.00000
     81      -7.6269      2.00000
     82      -7.5611      2.00000
     83      -7.5468      2.00000
     84      -7.4884      2.00000
     85      -7.1149      2.00000
     86      -7.0977      2.00000
     87      -7.0563      2.00000
     88      -7.0451      2.00000
     89      -6.6024      2.00000
     90      -6.5899      2.00000
     91      -6.5460      2.00000
     92      -6.5384      2.00000
     93      -6.2326      2.00000
     94      -6.2209      2.00000
     95      -6.1943      2.00000
     96      -6.1854      2.00000
     97      -5.8652      2.00000
     98      -5.8579      2.00000
     99      -5.6843      2.00000
    100      -5.6719      2.00000
    101      -5.5160      2.00000
    102      -5.4894      2.00000
    103      -5.4853      2.00000
    104      -5.4731      2.00000
    105      -5.3060      2.00000
    106      -5.2973      2.00000
    107      -5.2482      2.00000
    108      -5.2239      2.00000
    109      -5.2143      2.00000
    110      -5.1921      2.00000
    111      -5.1299      2.00000
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    113      -4.7568      2.00000
    114      -4.7433      2.00000
    115      -4.7171      2.00000
    116      -4.7047      2.00000
    117      -4.5615      2.00000
    118      -4.5374      2.00000
    119      -4.5145      2.00000
    120      -4.4982      2.00000
    121      -4.0642      2.00000
    122      -4.0526      2.00000
    123      -3.9562      2.00000
    124      -3.9505      2.00000
    125      -3.6224      2.00000
    126      -3.6098      2.00000
    127      -3.5838      2.00000
    128      -3.5641      2.00000
    129      -2.5285      2.00000
    130      -2.5094      2.00000
    131      -2.3467      2.00000
    132      -2.3122      2.00000
    133      -2.2241      2.00000
    134      -2.2018      2.00000
    135      -2.1515      2.00000
    136      -2.1161      2.00000
    137      -1.9731      2.00000
    138      -1.9633      2.00000
    139      -1.8554      2.00000
    140      -1.8397      2.00000
    141      -1.8146      2.00000
    142      -1.8013      2.00000
    143      -1.6725      2.00000
    144      -1.6469      2.00000
    145      -1.5055      2.00000
    146      -1.4847      2.00000
    147      -1.4161      2.00000
    148      -1.4106      2.00000
    149      -1.3976      2.00000
    150      -1.3811      2.00000
    151      -1.2991      2.00000
    152      -1.2782      2.00000
    153      -1.2434      2.00000
    154      -1.2308      2.00000
    155      -1.1456      2.00000
    156      -1.1346      2.00000
    157      -1.1172      2.00000
    158      -1.0987      2.00000
    159      -1.0231      2.00000
    160      -1.0084      2.00000
    161      -0.8931      2.00000
    162      -0.8700      2.00000
    163      -0.8609      2.00000
    164      -0.8407      2.00000
    165      -0.7540      2.00000
    166      -0.7383      2.00000
    167      -0.7157      2.00000
    168      -0.7043      2.00000
    169      -0.6812      2.00000
    170      -0.6467      2.00000
    171      -0.6076      2.00000
    172      -0.5992      2.00000
    173      -0.4115      2.00000
    174      -0.3919      2.00000
    175      -0.3259      2.00000
    176      -0.3204      2.00000
    177      -0.0666      2.00000
    178      -0.0623      2.00000
    179       0.0144      2.00000
    180       0.0246      2.00000
    181       0.3644      2.00000
    182       0.3707      2.00000
    183       0.4479      2.00000
    184       0.4489      2.00000
    185       5.9536      0.00000
    186       5.9756      0.00000
    187       6.0473      0.00000
    188       6.0591      0.00000
    189       6.1185      0.00000
    190       6.2382      0.00000
    191       6.4624      0.00000
    192       6.5061      0.00000
    193       6.5979      0.00000
    194       6.6271      0.00000
    195       6.7275      0.00000
    196       6.7814      0.00000
    197       7.3415      0.00000
    198       7.4175      0.00000
    199       7.9472      0.00000
    200       8.0808      0.00000
    201       8.7819      0.00000
    202       8.8655      0.00000
    203       9.1825      0.00000
    204       9.2325      0.00000
    205       9.2642      0.00000
    206       9.2651      0.00000
    207       9.5208      0.00000
    208       9.6426      0.00000
    209       9.8192      0.00000
    210       9.9766      0.00000
    211      10.0266      0.00000
    212      10.1068      0.00000
    213      10.2323      0.00000
    214      10.3164      0.00000
    215      10.4583      0.00000
    216      10.5450      0.00000
    217      10.6812      0.00000
    218      10.7319      0.00000
    219      10.7648      0.00000
    220      10.8243      0.00000
    221      10.9290      0.00000
    222      10.9734      0.00000
    223      11.0110      0.00000
    224      11.1197      0.00000
    225      11.1647      0.00000
    226      11.1811      0.00000
    227      11.2180      0.00000
    228      11.3338      0.00000
    229      11.3969      0.00000
    230      11.4765      0.00000
    231      11.8214      0.00000
    232      11.8515      0.00000
    233      11.9293      0.00000
    234      11.9604      0.00000
    235      12.1034      0.00000
    236      12.1229      0.00000
    237      12.1802      0.00000
    238      12.2148      0.00000
    239      12.3249      0.00000
    240      12.3867      0.00000
    241      12.4632      0.00000
    242      12.5227      0.00000
    243      12.5497      0.00000
    244      12.5672      0.00000
    245      12.6380      0.00000
    246      12.6485      0.00000
    247      12.7779      0.00000
    248      12.8168      0.00000
    249      12.8608      0.00000
    250      12.9183      0.00000
    251      13.0145      0.00000
    252      13.0982      0.00000
    253      13.1570      0.00000
    254      13.1966      0.00000
    255      13.2872      0.00000
    256      13.3351      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -2.510  -0.001  -0.001   0.000   0.000
 -0.001   0.007  -0.000   0.000   0.000
 -0.001  -0.000  -1.404  -0.000  -0.000
  0.000   0.000  -0.000  -1.408   0.000
  0.000   0.000  -0.000   0.000  -1.408
 total augmentation occupancy for first ion, spin component:           1
  1.637  -0.757   0.211  -0.008  -0.020
 -0.757   0.602  -0.126   0.005   0.013
  0.211  -0.126   0.031  -0.001  -0.002
 -0.008   0.005  -0.001   0.010   0.000
 -0.020   0.013  -0.002   0.000   0.010


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    8.2325: real time    8.2345
    FORLOC:  cpu time    0.0480: real time    0.0494
    FORNL :  cpu time   40.4145: real time   40.4311
    STRESS:  cpu time  120.7035: real time  120.7544
    FORCOR:  cpu time    0.5320: real time    0.5316
    FORHAR:  cpu time    0.0720: real time    0.0744
    MIXING:  cpu time    0.0040: real time    0.0046
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   739.10271   739.10271   739.10271
  Ewald   -5649.29539 -5160.68377 -5275.14621    -0.41640     1.19731  -128.99916
  Hartree  4629.49783  4729.12628  4893.19543    -0.18801     0.62584  -116.07664
  E(xc)   -2004.64295 -2003.55107 -2004.46641    -0.00134     0.00265     0.21706
  Local   -5159.82249 -5691.23801 -5807.25854     0.56424    -1.76198   265.55019
  n-local -2180.51400 -2177.78914 -2183.19503    -0.00353     0.00175     4.10275
  augment   250.46354   250.00299   251.11733     0.00069     0.00043    -0.73954
  Kinetic  9375.09432  9314.83685  9386.52189     0.04668    -0.05723   -24.04402
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.11643    -0.19316    -0.12883     0.00233     0.00877     0.01065
  in kB      -0.25956    -0.43061    -0.28720     0.00520     0.01955     0.02374
  external pressure =       -0.33 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :     1200.00
  volume of cell :      718.69
      direct lattice vectors                 reciprocal lattice vectors
    10.169023958 -0.000212935 -0.002890195     0.098350555  0.000000219  0.044684045
    -0.000194154  9.200445047  0.000382223     0.000002275  0.108690395 -0.000004518
    -3.490501043  0.000392416  7.682668604     0.000036999 -0.000005407  0.130179915

  length of vectors
    10.169024371  9.200445057  8.438423701     0.108025439  0.108690395  0.130179921


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.185E+01 0.107E+03 0.298E+00   -.106E+01 -.115E+03 0.170E-01   -.785E+00 0.818E+01 -.314E+00   -.244E-07 -.351E-07 -.574E-08
   0.454E+02 -.170E+02 0.229E+02   -.521E+02 0.182E+02 -.227E+02   0.665E+01 -.127E+01 -.141E+00   0.732E-07 0.265E-07 0.226E-07
   -.193E+02 -.654E+02 -.146E+02   0.229E+02 0.719E+02 0.181E+02   -.360E+01 -.648E+01 -.357E+01   -.225E-07 -.399E-07 -.423E-07
   0.543E+02 0.158E+02 0.149E+02   -.590E+02 -.173E+02 -.199E+02   0.473E+01 0.147E+01 0.503E+01   0.940E-07 -.225E-07 0.635E-07
   0.508E+02 0.643E+01 -.545E+02   -.541E+02 -.670E+01 0.617E+02   0.331E+01 0.272E+00 -.723E+01   0.604E-07 -.494E-07 -.495E-07
   -.183E+01 0.107E+03 -.300E+00   0.105E+01 -.115E+03 -.155E-01   0.786E+00 0.818E+01 0.315E+00   0.236E-07 -.353E-07 0.556E-08
   -.455E+02 -.170E+02 -.229E+02   0.521E+02 0.183E+02 0.227E+02   -.666E+01 -.127E+01 0.142E+00   -.714E-07 0.268E-07 -.229E-07
   0.193E+02 -.654E+02 0.145E+02   -.229E+02 0.719E+02 -.181E+02   0.360E+01 -.648E+01 0.356E+01   0.221E-07 -.388E-07 0.418E-07
   -.543E+02 0.158E+02 -.149E+02   0.590E+02 -.173E+02 0.200E+02   -.473E+01 0.148E+01 -.504E+01   -.920E-07 -.222E-07 -.622E-07
   -.508E+02 0.645E+01 0.545E+02   0.541E+02 -.673E+01 -.617E+02   -.331E+01 0.276E+00 0.723E+01   -.589E-07 -.489E-07 0.471E-07
   -.185E+01 -.107E+03 -.306E+00   0.106E+01 0.115E+03 -.770E-02   0.785E+00 -.818E+01 0.313E+00   0.234E-07 0.366E-07 0.667E-08
   -.454E+02 0.170E+02 -.229E+02   0.521E+02 -.182E+02 0.227E+02   -.665E+01 0.127E+01 0.141E+00   -.725E-07 -.266E-07 -.225E-07
   0.193E+02 0.654E+02 0.146E+02   -.229E+02 -.719E+02 -.181E+02   0.360E+01 0.648E+01 0.357E+01   0.208E-07 0.388E-07 0.416E-07
   -.543E+02 -.158E+02 -.149E+02   0.590E+02 0.173E+02 0.200E+02   -.473E+01 -.147E+01 -.504E+01   -.904E-07 0.230E-07 -.603E-07
   -.508E+02 -.643E+01 0.545E+02   0.541E+02 0.670E+01 -.617E+02   -.331E+01 -.273E+00 0.723E+01   -.572E-07 0.493E-07 0.434E-07
   0.184E+01 -.107E+03 0.304E+00   -.105E+01 0.115E+03 0.101E-01   -.786E+00 -.818E+01 -.314E+00   -.239E-07 0.327E-07 -.721E-08
   0.455E+02 0.170E+02 0.229E+02   -.521E+02 -.183E+02 -.227E+02   0.666E+01 0.127E+01 -.142E+00   0.700E-07 -.275E-07 0.232E-07
   -.193E+02 0.654E+02 -.145E+02   0.229E+02 -.719E+02 0.181E+02   -.360E+01 0.648E+01 -.356E+01   -.206E-07 0.369E-07 -.407E-07
   0.543E+02 -.158E+02 0.149E+02   -.590E+02 0.173E+02 -.200E+02   0.473E+01 -.148E+01 0.504E+01   0.903E-07 0.233E-07 0.607E-07
   0.508E+02 -.646E+01 -.545E+02   -.541E+02 0.673E+01 0.617E+02   0.331E+01 -.276E+00 -.723E+01   0.563E-07 0.496E-07 -.422E-07
   0.422E+02 -.129E+01 0.266E+02   -.431E+02 0.133E+01 -.268E+02   0.953E+00 -.408E-01 0.208E+00   0.805E-07 -.499E-07 0.187E-07
   -.953E+01 0.450E+01 -.633E+01   0.910E+01 -.444E+01 0.598E+01   0.436E+00 -.493E-01 0.349E+00   0.703E-07 0.357E-07 0.109E-06
   -.422E+02 -.124E+01 -.267E+02   0.432E+02 0.129E+01 0.269E+02   -.957E+00 -.411E-01 -.209E+00   -.802E-07 -.528E-07 -.196E-07
   0.949E+01 0.454E+01 0.634E+01   -.905E+01 -.449E+01 -.599E+01   -.436E+00 -.517E-01 -.348E+00   -.740E-07 0.318E-07 -.104E-06
   -.422E+02 0.126E+01 -.267E+02   0.431E+02 -.130E+01 0.269E+02   -.954E+00 0.395E-01 -.208E+00   -.818E-07 0.511E-07 -.189E-07
   0.954E+01 -.452E+01 0.634E+01   -.911E+01 0.447E+01 -.599E+01   -.436E+00 0.499E-01 -.348E+00   -.720E-07 -.375E-07 -.110E-06
   0.422E+02 0.123E+01 0.267E+02   -.432E+02 -.128E+01 -.269E+02   0.957E+00 0.400E-01 0.209E+00   0.809E-07 0.475E-07 0.229E-07
   -.948E+01 -.456E+01 -.634E+01   0.904E+01 0.451E+01 0.599E+01   0.435E+00 0.522E-01 0.349E+00   0.728E-07 -.363E-07 0.105E-06
   0.730E+02 0.115E+03 0.291E+02   -.788E+02 -.840E+02 -.313E+02   0.581E+01 -.308E+02 0.225E+01   -.326E-06 0.399E-06 -.949E-07
   0.368E+02 -.573E+02 0.187E+03   -.240E+02 0.258E+02 -.205E+03   -.128E+02 0.315E+02 0.181E+02   0.586E-06 0.214E-06 -.385E-08
   0.145E+03 0.936E+02 -.789E+02   -.112E+03 -.905E+02 0.711E+02   -.331E+02 -.308E+01 0.788E+01   0.262E-06 -.253E-06 0.350E-06
   0.119E+03 -.762E+01 0.359E+02   -.130E+03 -.199E+02 -.603E+02   0.116E+02 0.275E+02 0.244E+02   0.774E-07 0.112E-06 -.193E-06
   0.801E+02 -.269E+02 0.967E+02   -.104E+03 0.571E+02 -.904E+02   0.238E+02 -.302E+02 -.626E+01   -.124E-06 -.165E-06 0.266E-06
   0.310E+02 0.876E+00 0.192E+02   0.113E+01 -.262E+01 -.425E+01   -.321E+02 0.175E+01 -.149E+02   -.726E-07 0.324E-09 -.723E-07
   -.453E+02 0.458E+02 -.225E+02   0.364E+02 -.818E+02 0.192E+02   0.893E+01 0.360E+02 0.337E+01   0.353E-06 0.313E-06 0.131E-06
   -.512E+01 0.357E+01 -.708E+02   -.168E+01 0.134E+02 0.103E+03   0.681E+01 -.169E+02 -.320E+02   0.384E-07 -.559E-07 0.158E-06
   -.769E+02 0.101E+02 0.425E+02   0.985E+02 0.575E+01 -.687E+02   -.216E+02 -.159E+02 0.262E+02   0.908E-07 -.144E-06 0.772E-07
   -.729E+02 0.115E+03 -.291E+02   0.788E+02 -.839E+02 0.314E+02   -.582E+01 -.308E+02 -.225E+01   0.320E-06 0.398E-06 0.916E-07
   -.368E+02 -.574E+02 -.187E+03   0.240E+02 0.259E+02 0.205E+03   0.128E+02 0.315E+02 -.181E+02   -.585E-06 0.215E-06 0.121E-08
   -.145E+03 0.935E+02 0.790E+02   0.112E+03 -.904E+02 -.711E+02   0.331E+02 -.312E+01 -.788E+01   -.256E-06 -.249E-06 -.350E-06
   -.119E+03 -.724E+01 -.355E+02   0.131E+03 -.203E+02 0.598E+02   -.116E+02 0.275E+02 -.243E+02   -.771E-07 0.117E-06 0.188E-06
   -.799E+02 -.273E+02 -.972E+02   0.104E+03 0.575E+02 0.909E+02   -.237E+02 -.303E+02 0.623E+01   0.129E-06 -.171E-06 -.267E-06
   -.310E+02 0.929E+00 -.193E+02   -.110E+01 -.268E+01 0.435E+01   0.321E+02 0.175E+01 0.149E+02   0.729E-07 -.488E-08 0.724E-07
   0.453E+02 0.458E+02 0.226E+02   -.364E+02 -.817E+02 -.193E+02   -.892E+01 0.360E+02 -.337E+01   -.356E-06 0.313E-06 -.131E-06
   0.506E+01 0.358E+01 0.708E+02   0.175E+01 0.134E+02 -.103E+03   -.681E+01 -.169E+02 0.320E+02   -.414E-07 -.642E-07 -.154E-06
   0.769E+02 0.101E+02 -.425E+02   -.985E+02 0.578E+01 0.687E+02   0.216E+02 -.159E+02 -.262E+02   -.934E-07 -.148E-06 -.768E-07
   -.730E+02 -.115E+03 -.290E+02   0.788E+02 0.840E+02 0.313E+02   -.582E+01 0.308E+02 -.224E+01   0.322E-06 -.395E-06 0.991E-07
   -.368E+02 0.574E+02 -.187E+03   0.240E+02 -.258E+02 0.205E+03   0.128E+02 -.315E+02 -.181E+02   -.589E-06 -.213E-06 0.170E-08
   -.145E+03 -.936E+02 0.789E+02   0.112E+03 0.905E+02 -.710E+02   0.331E+02 0.308E+01 -.788E+01   -.254E-06 0.251E-06 -.352E-06
   -.119E+03 0.763E+01 -.359E+02   0.130E+03 0.198E+02 0.602E+02   -.116E+02 -.275E+02 -.244E+02   -.769E-07 -.117E-06 0.194E-06
   -.802E+02 0.269E+02 -.966E+02   0.104E+03 -.571E+02 0.904E+02   -.238E+02 0.302E+02 0.628E+01   0.128E-06 0.172E-06 -.266E-06
   -.310E+02 -.908E+00 -.193E+02   -.115E+01 0.265E+01 0.439E+01   0.321E+02 -.174E+01 0.149E+02   0.757E-07 0.668E-09 0.742E-07
   0.454E+02 -.457E+02 0.226E+02   -.364E+02 0.817E+02 -.192E+02   -.892E+01 -.360E+02 -.338E+01   -.357E-06 -.319E-06 -.132E-06
   0.519E+01 -.366E+01 0.709E+02   0.161E+01 -.133E+02 -.103E+03   -.680E+01 0.169E+02 0.320E+02   -.428E-07 0.592E-07 -.161E-06
   0.769E+02 -.101E+02 -.425E+02   -.984E+02 -.577E+01 0.687E+02   0.216E+02 0.159E+02 -.262E+02   -.896E-07 0.146E-06 -.772E-07
   0.730E+02 -.115E+03 0.291E+02   -.788E+02 0.839E+02 -.313E+02   0.582E+01 0.308E+02 0.225E+01   -.323E-06 -.400E-06 -.100E-06
   0.368E+02 0.574E+02 0.187E+03   -.240E+02 -.259E+02 -.205E+03   -.128E+02 -.315E+02 0.181E+02   0.586E-06 -.215E-06 0.585E-10
   0.145E+03 -.936E+02 -.790E+02   -.112E+03 0.905E+02 0.711E+02   -.331E+02 0.311E+01 0.788E+01   0.251E-06 0.252E-06 0.353E-06
   0.119E+03 0.724E+01 0.355E+02   -.130E+03 0.203E+02 -.599E+02   0.116E+02 -.275E+02 0.243E+02   0.822E-07 -.119E-06 -.188E-06
   0.799E+02 0.273E+02 0.972E+02   -.104E+03 -.576E+02 -.910E+02   0.237E+02 0.303E+02 -.623E+01   -.127E-06 0.167E-06 0.271E-06
   0.310E+02 -.961E+00 0.192E+02   0.112E+01 0.271E+01 -.425E+01   -.321E+02 -.175E+01 -.149E+02   -.753E-07 0.198E-08 -.728E-07
   -.453E+02 -.458E+02 -.226E+02   0.364E+02 0.817E+02 0.192E+02   0.892E+01 -.360E+02 0.337E+01   0.354E-06 -.314E-06 0.129E-06
   -.503E+01 -.359E+01 -.708E+02   -.178E+01 -.134E+02 0.103E+03   0.680E+01 0.169E+02 -.320E+02   0.420E-07 0.609E-07 0.155E-06
   -.769E+02 -.101E+02 0.425E+02   0.985E+02 -.578E+01 -.688E+02   -.216E+02 0.159E+02 0.262E+02   0.883E-07 0.144E-06 0.744E-07
   0.114E+03 0.363E+02 -.550E+02   -.116E+03 -.370E+02 0.522E+02   0.194E+01 0.746E+00 0.287E+01   -.866E-07 0.549E-07 -.633E-08
   0.412E+02 -.390E+02 0.132E+03   -.442E+02 0.385E+02 -.130E+03   0.298E+01 0.522E+00 -.208E+01   0.755E-07 0.981E-07 -.166E-06
   -.114E+03 0.362E+02 0.550E+02   0.116E+03 -.370E+02 -.521E+02   -.194E+01 0.744E+00 -.286E+01   0.837E-07 0.654E-07 0.829E-08
   -.411E+02 -.390E+02 -.132E+03   0.441E+02 0.385E+02 0.130E+03   -.298E+01 0.521E+00 0.208E+01   -.776E-07 0.835E-07 0.165E-06
   -.114E+03 -.363E+02 0.550E+02   0.116E+03 0.370E+02 -.522E+02   -.193E+01 -.746E+00 -.287E+01   0.691E-07 -.650E-07 0.517E-08
   -.411E+02 0.390E+02 -.132E+03   0.441E+02 -.385E+02 0.130E+03   -.298E+01 -.526E+00 0.208E+01   -.882E-07 -.884E-07 0.157E-06
   0.114E+03 -.363E+02 -.550E+02   -.116E+03 0.370E+02 0.521E+02   0.195E+01 -.744E+00 0.286E+01   -.756E-07 -.551E-07 -.149E-07
   0.411E+02 0.390E+02 0.132E+03   -.440E+02 -.384E+02 -.130E+03   0.298E+01 -.516E+00 -.208E+01   0.781E-07 -.917E-07 -.158E-06
   -.906E-03 0.221E-01 0.215E-01   0.193E-02 -.203E-01 -.218E-01   -.114E-02 -.143E-02 0.509E-03   0.369E-08 -.568E-09 0.107E-07
   -.282E-01 0.123E-01 -.171E-01   0.286E-01 -.124E-01 0.160E-01   -.720E-03 -.267E-04 0.123E-02   0.181E-07 0.705E-08 -.834E-08
 -----------------------------------------------------------------------------------------------
   -.846E-02 -.220E-01 -.960E-03   -.329E-12 0.359E-12 0.588E-12   0.795E-02 0.204E-01 0.325E-02   -.108E-07 -.153E-07 -.955E-08
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.98357      8.09323      0.93730         0.001749      0.000850      0.000892
      0.43312      5.77724      2.31424        -0.002221     -0.001012     -0.002253
      1.84215      6.34409      2.70550         0.004781      0.000639      0.001112
      0.12610      8.28132      2.80307        -0.002658     -0.004112     -0.004547
      0.38985      8.45802      4.38969         0.002490     -0.001268      0.001708
      6.43965      3.49328      2.90210        -0.001365      0.000798     -0.000817
      7.99075      1.17704      1.52370         0.003350     -0.001403      0.001870
      6.58175      1.74405      1.13284        -0.003518     -0.001512     -0.000119
      8.29702      3.68071      1.03626         0.004004     -0.004961      0.006511
      4.54298      3.85774      7.13237        -0.002300     -0.001220     -0.002922
      4.69485      1.10720      6.74311        -0.001437      0.000031     -0.001161
      6.24523      3.42333      5.36582         0.001440      0.001159      0.002051
      4.83613      2.85665      4.97442        -0.004558     -0.000758     -0.000888
      6.55205      0.91934      4.87707         0.003378      0.004524      0.004911
      6.28839      0.74287      3.29045        -0.002756      0.001132     -0.001365
      0.23843      5.70722      4.77790         0.001291     -0.001177      0.000743
     -1.31231      8.02365      6.15644        -0.001570      0.001972     -0.001931
      0.09673      7.45669      6.54719         0.003766      0.001823      0.000123
     -1.61868      5.51968      6.64357        -0.001987      0.004514     -0.004371
      2.13537      5.34272      0.54757         0.002856      0.001402      0.001325
     -0.18038      2.38283      2.15213        -0.000676     -0.001362     -0.001445
      3.97248      3.06388      1.81918        -0.000866      0.002159     -0.001860
      8.60383      6.98304      1.68658        -0.002293     -0.000558     -0.001991
      4.45116      7.66418      2.02004        -0.000061     -0.000183      0.001622
      6.85870      6.81770      5.52815        -0.000511     -0.001510     -0.001712
      2.70584      6.13688      5.86101        -0.000316     -0.001311      0.002583
     -1.92557      2.21759      5.99356         0.001988     -0.002817      0.003907
      2.22725      1.53655      5.66032        -0.000584     -0.000581     -0.001402
      1.88567      9.05687      0.89765        -0.004428     -0.001068     -0.003710
      1.42742      5.56657      2.28085        -0.000363     -0.001913     -0.003172
      0.81647      8.49267      3.50368         0.003237     -0.000793     -0.000663
     -0.55818      1.46223      1.34195        -0.005442     -0.007058      0.002605
     -0.97555      3.35944      2.39167        -0.001747     -0.001784      0.000330
      0.99510      2.34032      2.72101         0.001085      0.002343      0.001895
      3.60603      1.84103      1.65906        -0.003282     -0.006473     -0.000765
      3.68611      3.69110      2.92043         0.003179      0.003190     -0.001996
      4.64917      3.65976      0.88721        -0.002505      0.001772      0.003303
      6.53776      4.45689      2.94181         0.003696     -0.001163      0.002680
      6.99657      0.96630      1.55713        -0.000338     -0.000723      0.003084
      7.60689      3.89245      0.33569        -0.005518     -0.000033     -0.000057
      8.98265      6.06140      2.49523         0.001633      0.001129     -0.005054
      9.39780      7.96100      1.44810        -0.003644     -0.005366      0.002190
      7.42814      6.94031      1.11784         0.006086      0.001932      0.002446
      4.81742      6.44121      2.18022         0.002447     -0.004074     -0.000024
      4.73765      8.29141      0.91886        -0.001681      0.001473      0.000390
      3.77441      8.26014      2.95188         0.002651      0.001857     -0.000718
      4.79279      0.14358      6.78258         0.004600      0.000822      0.003770
      5.25090      3.63408      5.39919         0.000575      0.001726      0.002586
      5.86169      0.70817      4.17643        -0.004011      0.001153      0.000152
      7.23682      7.73825      6.33824         0.004784      0.006050     -0.004345
      7.65370      5.84102      5.28820         0.001756      0.003709      0.000890
      5.68300      6.86010      4.95955         0.000860     -0.000003      0.000686
      3.07226      7.35978      6.02134         0.002239      0.002819     -0.000528
      2.99198      5.50980      4.75959        -0.002811     -0.000558      0.002908
      2.02929      5.54080      6.79297         0.002627     -0.001682     -0.003659
      0.14040      4.74359      4.73829        -0.002182      0.000488     -0.001521
     -0.31809      8.23451      6.12305        -0.000012     -0.000024     -0.002532
     -0.92849      5.30802      7.34423         0.000938      0.001348     -0.000461
     -2.30448      3.13898      5.18479        -0.002324      0.003212      0.002830
     -2.71936      1.23952      6.23205         0.001348      0.003774     -0.002216
     -0.75005      2.26044      6.56251        -0.000910     -0.000993     -0.001484
      1.86089      2.75951      5.50025        -0.002329      0.003837      0.000108
      1.94098      0.90921      6.76149         0.000752     -0.001441      0.000883
      2.90387      0.94063      4.72841        -0.001086     -0.002194     -0.000590
      2.24842      0.63743      2.76619         0.002619      0.000441      0.001023
      1.78867      3.96955      3.77100         0.002585     -0.002217     -0.002415
      6.17501      5.23758      1.07266        -0.002370      0.000130     -0.000487
      6.63503      8.56955      0.06789        -0.003315     -0.001741      0.002081
      4.42977      8.56328      4.91400        -0.002176     -0.000538     -0.000676
      4.88970      5.23116      3.90934        -0.003164      0.001780      0.001780
      0.50342      3.96310      6.60759         0.001853     -0.000638     -0.000078
      0.04346      0.63111      7.61244         0.003023      0.001948     -0.002233
     -3.49058      9.20076      7.68303        -0.000112      0.000444      0.000128
      8.42364      4.60009      3.83854        -0.000239     -0.000156      0.000060
 -----------------------------------------------------------------------------------
    total drift:                               -0.000506     -0.001602      0.002294


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -460.47516547 eV

  energy  without entropy=     -460.47516547  energy(sigma->0) =     -460.47516547
 


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.1920: real time    0.2029


--------------------------------------------------------------------------------------------------------



(MLR_SYM_REDUCE) The static configuration has the point symmetry C_1 .
 
 KPOINTS: CaAl4Si2O12H2                           

Automatic generation of k-mesh.
 generate k-points for:    6    7    8
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    170 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.166667  0.000000 -0.000000      2.000000
  0.333333  0.000000 -0.000000      2.000000
  0.500000  0.000000 -0.000000      1.000000
  0.000000  0.142857 -0.000000      2.000000
  0.166667  0.142857 -0.000000      2.000000
  0.333333  0.142857 -0.000000      2.000000
  0.500000  0.142857 -0.000000      2.000000
 -0.333333  0.142857  0.000000      2.000000
 -0.166667  0.142857  0.000000      2.000000
  0.000000  0.285714 -0.000000      2.000000
  0.166667  0.285714 -0.000000      2.000000
  0.333333  0.285714 -0.000000      2.000000
  0.500000  0.285714 -0.000000      2.000000
 -0.333333  0.285714  0.000000      2.000000
 -0.166667  0.285714  0.000000      2.000000
  0.000000  0.428571 -0.000000      2.000000
  0.166667  0.428571 -0.000000      2.000000
  0.333333  0.428571 -0.000000      2.000000
  0.500000  0.428571 -0.000000      2.000000
 -0.333333  0.428571  0.000000      2.000000
 -0.166667  0.428571  0.000000      2.000000
 -0.000000  0.000000  0.125000      2.000000
  0.166667  0.000000  0.125000      2.000000
  0.333333  0.000000  0.125000      2.000000
  0.500000  0.000000  0.125000      2.000000
 -0.333333  0.000000  0.125000      2.000000
 -0.166667  0.000000  0.125000      2.000000
 -0.000000  0.142857  0.125000      2.000000
  0.166667  0.142857  0.125000      2.000000
  0.333333  0.142857  0.125000      2.000000
  0.500000  0.142857  0.125000      2.000000
 -0.333333  0.142857  0.125000      2.000000
 -0.166667  0.142857  0.125000      2.000000
 -0.000000  0.285714  0.125000      2.000000
  0.166667  0.285714  0.125000      2.000000
  0.333333  0.285714  0.125000      2.000000
  0.500000  0.285714  0.125000      2.000000
 -0.333333  0.285714  0.125000      2.000000
 -0.166667  0.285714  0.125000      2.000000
  0.000000  0.428571  0.125000      2.000000
  0.166667  0.428571  0.125000      2.000000
  0.333333  0.428571  0.125000      2.000000
  0.500000  0.428571  0.125000      2.000000
 -0.333333  0.428571  0.125000      2.000000
 -0.166667  0.428571  0.125000      2.000000
 -0.000000 -0.428571  0.125000      2.000000
  0.166667 -0.428571  0.125000      2.000000
  0.333333 -0.428571  0.125000      2.000000
  0.500000 -0.428571  0.125000      2.000000
 -0.333333 -0.428571  0.125000      2.000000
 -0.166667 -0.428571  0.125000      2.000000
 -0.000000 -0.285714  0.125000      2.000000
  0.166667 -0.285714  0.125000      2.000000
  0.333333 -0.285714  0.125000      2.000000
  0.500000 -0.285714  0.125000      2.000000
 -0.333333 -0.285714  0.125000      2.000000
 -0.166667 -0.285714  0.125000      2.000000
  0.000000 -0.142857  0.125000      2.000000
  0.166667 -0.142857  0.125000      2.000000
  0.333333 -0.142857  0.125000      2.000000
  0.500000 -0.142857  0.125000      2.000000
 -0.333333 -0.142857  0.125000      2.000000
 -0.166667 -0.142857  0.125000      2.000000
 -0.000000  0.000000  0.250000      2.000000
  0.166667  0.000000  0.250000      2.000000
  0.333333  0.000000  0.250000      2.000000
  0.500000  0.000000  0.250000      2.000000
 -0.333333  0.000000  0.250000      2.000000
 -0.166667  0.000000  0.250000      2.000000
 -0.000000  0.142857  0.250000      2.000000
  0.166667  0.142857  0.250000      2.000000
  0.333333  0.142857  0.250000      2.000000
  0.500000  0.142857  0.250000      2.000000
 -0.333333  0.142857  0.250000      2.000000
 -0.166667  0.142857  0.250000      2.000000
  0.000000  0.285714  0.250000      2.000000
  0.166667  0.285714  0.250000      2.000000
  0.333333  0.285714  0.250000      2.000000
  0.500000  0.285714  0.250000      2.000000
 -0.333333  0.285714  0.250000      2.000000
 -0.166667  0.285714  0.250000      2.000000
  0.000000  0.428571  0.250000      2.000000
  0.166667  0.428571  0.250000      2.000000
  0.333333  0.428571  0.250000      2.000000
  0.500000  0.428571  0.250000      2.000000
 -0.333333  0.428571  0.250000      2.000000
 -0.166667  0.428571  0.250000      2.000000
 -0.000000 -0.428571  0.250000      2.000000
  0.166667 -0.428571  0.250000      2.000000
  0.333333 -0.428571  0.250000      2.000000
  0.500000 -0.428571  0.250000      2.000000
 -0.333333 -0.428571  0.250000      2.000000
 -0.166667 -0.428571  0.250000      2.000000
 -0.000000 -0.285714  0.250000      2.000000
  0.166667 -0.285714  0.250000      2.000000
  0.333333 -0.285714  0.250000      2.000000
  0.500000 -0.285714  0.250000      2.000000
 -0.333333 -0.285714  0.250000      2.000000
 -0.166667 -0.285714  0.250000      2.000000
 -0.000000 -0.142857  0.250000      2.000000
  0.166667 -0.142857  0.250000      2.000000
  0.333333 -0.142857  0.250000      2.000000
  0.500000 -0.142857  0.250000      2.000000
 -0.333333 -0.142857  0.250000      2.000000
 -0.166667 -0.142857  0.250000      2.000000
 -0.000000 -0.000000  0.375000      2.000000
  0.166667  0.000000  0.375000      2.000000
  0.333333  0.000000  0.375000      2.000000
  0.500000  0.000000  0.375000      2.000000
 -0.333333  0.000000  0.375000      2.000000
 -0.166667  0.000000  0.375000      2.000000
 -0.000000  0.142857  0.375000      2.000000
  0.166667  0.142857  0.375000      2.000000
  0.333333  0.142857  0.375000      2.000000
  0.500000  0.142857  0.375000      2.000000
 -0.333333  0.142857  0.375000      2.000000
 -0.166667  0.142857  0.375000      2.000000
 -0.000000  0.285714  0.375000      2.000000
  0.166667  0.285714  0.375000      2.000000
  0.333333  0.285714  0.375000      2.000000
  0.500000  0.285714  0.375000      2.000000
 -0.333333  0.285714  0.375000      2.000000
 -0.166667  0.285714  0.375000      2.000000
  0.000000  0.428571  0.375000      2.000000
  0.166667  0.428571  0.375000      2.000000
  0.333333  0.428571  0.375000      2.000000
  0.500000  0.428571  0.375000      2.000000
 -0.333333  0.428571  0.375000      2.000000
 -0.166667  0.428571  0.375000      2.000000
 -0.000000 -0.428571  0.375000      2.000000
  0.166667 -0.428571  0.375000      2.000000
  0.333333 -0.428571  0.375000      2.000000
  0.500000 -0.428571  0.375000      2.000000
 -0.333333 -0.428571  0.375000      2.000000
 -0.166667 -0.428571  0.375000      2.000000
 -0.000000 -0.285714  0.375000      2.000000
  0.166667 -0.285714  0.375000      2.000000
  0.333333 -0.285714  0.375000      2.000000
  0.500000 -0.285714  0.375000      2.000000
 -0.333333 -0.285714  0.375000      2.000000
 -0.166667 -0.285714  0.375000      2.000000
 -0.000000 -0.142857  0.375000      2.000000
  0.166667 -0.142857  0.375000      2.000000
  0.333333 -0.142857  0.375000      2.000000
  0.500000 -0.142857  0.375000      2.000000
 -0.333333 -0.142857  0.375000      2.000000
 -0.166667 -0.142857  0.375000      2.000000
 -0.000000  0.000000  0.500000      1.000000
  0.166667  0.000000  0.500000      2.000000
  0.333333  0.000000  0.500000      2.000000
  0.500000  0.000000  0.500000      1.000000
 -0.000000  0.142857  0.500000      2.000000
  0.166667  0.142857  0.500000      2.000000
  0.333333  0.142857  0.500000      2.000000
  0.500000  0.142857  0.500000      2.000000
 -0.333333  0.142857  0.500000      2.000000
 -0.166667  0.142857  0.500000      2.000000
 -0.000000  0.285714  0.500000      2.000000
  0.166667  0.285714  0.500000      2.000000
  0.333333  0.285714  0.500000      2.000000
  0.500000  0.285714  0.500000      2.000000
 -0.333333  0.285714  0.500000      2.000000
 -0.166667  0.285714  0.500000      2.000000
 -0.000000  0.428571  0.500000      2.000000
  0.166667  0.428571  0.500000      2.000000
  0.333333  0.428571  0.500000      2.000000
  0.500000  0.428571  0.500000      2.000000
 -0.333333  0.428571  0.500000      2.000000
 -0.166667  0.428571  0.500000      2.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.016392  0.000000  0.007447      2.000000
  0.032784  0.000000  0.014895      2.000000
  0.049175  0.000000  0.022342      1.000000
  0.000000  0.015527 -0.000001      2.000000
  0.016392  0.015527  0.007447      2.000000
  0.032784  0.015527  0.014894      2.000000
  0.049176  0.015527  0.022341      2.000000
 -0.032783  0.015527 -0.014895      2.000000
 -0.016391  0.015527 -0.007448      2.000000
  0.000001  0.031054 -0.000001      2.000000
  0.016392  0.031054  0.007446      2.000000
  0.032784  0.031054  0.014893      2.000000
  0.049176  0.031055  0.022341      2.000000
 -0.032783  0.031054 -0.014896      2.000000
 -0.016391  0.031054 -0.007449      2.000000
  0.000001  0.046582 -0.000002      2.000000
  0.016393  0.046582  0.007445      2.000000
  0.032784  0.046582  0.014893      2.000000
  0.049176  0.046582  0.022340      2.000000
 -0.032783  0.046582 -0.014897      2.000000
 -0.016391  0.046582 -0.007449      2.000000
  0.000005 -0.000001  0.016272      2.000000
  0.016396 -0.000001  0.023720      2.000000
  0.032788 -0.000001  0.031167      2.000000
  0.049180 -0.000001  0.038615      2.000000
 -0.032779 -0.000001  0.001378      2.000000
 -0.016387 -0.000001  0.008825      2.000000
  0.000005  0.015527  0.016272      2.000000
  0.016397  0.015527  0.023719      2.000000
  0.032788  0.015527  0.031167      2.000000
  0.049180  0.015527  0.038614      2.000000
 -0.032779  0.015526  0.001377      2.000000
 -0.016387  0.015526  0.008825      2.000000
  0.000005  0.031054  0.016271      2.000000
  0.016397  0.031054  0.023719      2.000000
  0.032789  0.031054  0.031166      2.000000
  0.049181  0.031054  0.038613      2.000000
 -0.032778  0.031054  0.001377      2.000000
 -0.016386  0.031054  0.008824      2.000000
  0.000006  0.046581  0.016271      2.000000
  0.016397  0.046581  0.023718      2.000000
  0.032789  0.046581  0.031165      2.000000
  0.049181  0.046581  0.038613      2.000000
 -0.032778  0.046581  0.001376      2.000000
 -0.016386  0.046581  0.008823      2.000000
  0.000004 -0.046582  0.016274      2.000000
  0.016395 -0.046582  0.023722      2.000000
  0.032787 -0.046582  0.031169      2.000000
  0.049179 -0.046582  0.038616      2.000000
 -0.032780 -0.046582  0.001380      2.000000
 -0.016388 -0.046582  0.008827      2.000000
  0.000004 -0.031055  0.016274      2.000000
  0.016396 -0.031055  0.023721      2.000000
  0.032787 -0.031055  0.031168      2.000000
  0.049179 -0.031055  0.038616      2.000000
 -0.032780 -0.031055  0.001379      2.000000
 -0.016388 -0.031055  0.008826      2.000000
  0.000004 -0.015528  0.016273      2.000000
  0.016396 -0.015528  0.023720      2.000000
  0.032788 -0.015528  0.031168      2.000000
  0.049180 -0.015528  0.038615      2.000000
 -0.032779 -0.015528  0.001378      2.000000
 -0.016387 -0.015528  0.008826      2.000000
  0.000009 -0.000001  0.032545      2.000000
  0.016401 -0.000001  0.039992      2.000000
  0.032793 -0.000001  0.047440      2.000000
  0.049185 -0.000001  0.054887      2.000000
 -0.032774 -0.000001  0.017650      2.000000
 -0.016383 -0.000001  0.025098      2.000000
  0.000010  0.015526  0.032544      2.000000
  0.016401  0.015526  0.039992      2.000000
  0.032793  0.015526  0.047439      2.000000
  0.049185  0.015526  0.054886      2.000000
 -0.032774  0.015526  0.017650      2.000000
 -0.016382  0.015526  0.025097      2.000000
  0.000010  0.031053  0.032544      2.000000
  0.016402  0.031053  0.039991      2.000000
  0.032793  0.031053  0.047438      2.000000
  0.049185  0.031053  0.054886      2.000000
 -0.032774  0.031053  0.017649      2.000000
 -0.016382  0.031053  0.025096      2.000000
  0.000010  0.046580  0.032543      2.000000
  0.016402  0.046580  0.039990      2.000000
  0.032794  0.046580  0.047438      2.000000
  0.049186  0.046580  0.054885      2.000000
 -0.032773  0.046580  0.017648      2.000000
 -0.016382  0.046580  0.025096      2.000000
  0.000008 -0.046583  0.032547      2.000000
  0.016400 -0.046583  0.039994      2.000000
  0.032792 -0.046583  0.047442      2.000000
  0.049184 -0.046583  0.054889      2.000000
 -0.032775 -0.046583  0.017652      2.000000
 -0.016383 -0.046583  0.025100      2.000000
  0.000009 -0.031056  0.032546      2.000000
  0.016400 -0.031056  0.039994      2.000000
  0.032792 -0.031056  0.047441      2.000000
  0.049184 -0.031056  0.054888      2.000000
 -0.032775 -0.031056  0.017652      2.000000
 -0.016383 -0.031056  0.025099      2.000000
  0.000009 -0.015529  0.032546      2.000000
  0.016401 -0.015529  0.039993      2.000000
  0.032792 -0.015528  0.047440      2.000000
  0.049184 -0.015528  0.054888      2.000000
 -0.032775 -0.015529  0.017651      2.000000
 -0.016383 -0.015529  0.025098      2.000000
  0.000014 -0.000002  0.048817      2.000000
  0.016406 -0.000002  0.056265      2.000000
  0.032797 -0.000002  0.063712      2.000000
  0.049189 -0.000002  0.071159      2.000000
 -0.032770 -0.000002  0.033923      2.000000
 -0.016378 -0.000002  0.041370      2.000000
  0.000014  0.015525  0.048817      2.000000
  0.016406  0.015525  0.056264      2.000000
  0.032798  0.015525  0.063712      2.000000
  0.049189  0.015525  0.071159      2.000000
 -0.032769  0.015525  0.033922      2.000000
 -0.016378  0.015525  0.041369      2.000000
  0.000015  0.031052  0.048816      2.000000
  0.016406  0.031052  0.056264      2.000000
  0.032798  0.031052  0.063711      2.000000
  0.049190  0.031052  0.071158      2.000000
 -0.032769  0.031052  0.033921      2.000000
 -0.016377  0.031052  0.041369      2.000000
  0.000015  0.046580  0.048816      2.000000
  0.016407  0.046580  0.056263      2.000000
  0.032798  0.046580  0.063710      2.000000
  0.049190  0.046580  0.071158      2.000000
 -0.032769  0.046579  0.033921      2.000000
 -0.016377  0.046580  0.041368      2.000000
  0.000013 -0.046584  0.048819      2.000000
  0.016405 -0.046584  0.056267      2.000000
  0.032796 -0.046584  0.063714      2.000000
  0.049188 -0.046584  0.071161      2.000000
 -0.032771 -0.046584  0.033925      2.000000
 -0.016379 -0.046584  0.041372      2.000000
  0.000013 -0.031056  0.048819      2.000000
  0.016405 -0.031056  0.056266      2.000000
  0.032797 -0.031056  0.063713      2.000000
  0.049189 -0.031056  0.071161      2.000000
 -0.032770 -0.031056  0.033924      2.000000
 -0.016379 -0.031056  0.041371      2.000000
  0.000014 -0.015529  0.048818      2.000000
  0.016405 -0.015529  0.056265      2.000000
  0.032797 -0.015529  0.063713      2.000000
  0.049189 -0.015529  0.071160      2.000000
 -0.032770 -0.015529  0.033923      2.000000
 -0.016378 -0.015529  0.041371      2.000000
  0.000018 -0.000003  0.065090      1.000000
  0.016410 -0.000003  0.072537      2.000000
  0.032802 -0.000003  0.079985      2.000000
  0.049194 -0.000003  0.087432      1.000000
  0.000019  0.015524  0.065089      2.000000
  0.016411  0.015525  0.072537      2.000000
  0.032802  0.015525  0.079984      2.000000
  0.049194  0.015525  0.087431      2.000000
 -0.032765  0.015524  0.050195      2.000000
 -0.016373  0.015524  0.057642      2.000000
  0.000019  0.031052  0.065089      2.000000
  0.016411  0.031052  0.072536      2.000000
  0.032803  0.031052  0.079983      2.000000
  0.049194  0.031052  0.087431      2.000000
 -0.032764  0.031052  0.050194      2.000000
 -0.016373  0.031052  0.057641      2.000000
  0.000019  0.046579  0.065088      2.000000
  0.016411  0.046579  0.072535      2.000000
  0.032803  0.046579  0.079983      2.000000
  0.049195  0.046579  0.087430      2.000000
 -0.032764  0.046579  0.050193      2.000000
 -0.016372  0.046579  0.057641      2.000000
 
 TETIRR: Found   1008 inequivalent tetrahedra from     2016
 
 KPOINTS: CaAl4Si2O12H2                           

Automatic generation of k-mesh.
 generate k-points for:    6    7    8
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    170 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.166667  0.000000 -0.000000      2.000000
  0.333333  0.000000 -0.000000      2.000000
  0.500000  0.000000 -0.000000      1.000000
  0.000000  0.142857 -0.000000      2.000000
  0.166667  0.142857 -0.000000      2.000000
  0.333333  0.142857 -0.000000      2.000000
  0.500000  0.142857 -0.000000      2.000000
 -0.333333  0.142857  0.000000      2.000000
 -0.166667  0.142857  0.000000      2.000000
  0.000000  0.285714 -0.000000      2.000000
  0.166667  0.285714 -0.000000      2.000000
  0.333333  0.285714 -0.000000      2.000000
  0.500000  0.285714 -0.000000      2.000000
 -0.333333  0.285714  0.000000      2.000000
 -0.166667  0.285714  0.000000      2.000000
  0.000000  0.428571 -0.000000      2.000000
  0.166667  0.428571 -0.000000      2.000000
  0.333333  0.428571 -0.000000      2.000000
  0.500000  0.428571 -0.000000      2.000000
 -0.333333  0.428571  0.000000      2.000000
 -0.166667  0.428571  0.000000      2.000000
 -0.000000  0.000000  0.125000      2.000000
  0.166667  0.000000  0.125000      2.000000
  0.333333  0.000000  0.125000      2.000000
  0.500000  0.000000  0.125000      2.000000
 -0.333333  0.000000  0.125000      2.000000
 -0.166667  0.000000  0.125000      2.000000
 -0.000000  0.142857  0.125000      2.000000
  0.166667  0.142857  0.125000      2.000000
  0.333333  0.142857  0.125000      2.000000
  0.500000  0.142857  0.125000      2.000000
 -0.333333  0.142857  0.125000      2.000000
 -0.166667  0.142857  0.125000      2.000000
 -0.000000  0.285714  0.125000      2.000000
  0.166667  0.285714  0.125000      2.000000
  0.333333  0.285714  0.125000      2.000000
  0.500000  0.285714  0.125000      2.000000
 -0.333333  0.285714  0.125000      2.000000
 -0.166667  0.285714  0.125000      2.000000
  0.000000  0.428571  0.125000      2.000000
  0.166667  0.428571  0.125000      2.000000
  0.333333  0.428571  0.125000      2.000000
  0.500000  0.428571  0.125000      2.000000
 -0.333333  0.428571  0.125000      2.000000
 -0.166667  0.428571  0.125000      2.000000
 -0.000000 -0.428571  0.125000      2.000000
  0.166667 -0.428571  0.125000      2.000000
  0.333333 -0.428571  0.125000      2.000000
  0.500000 -0.428571  0.125000      2.000000
 -0.333333 -0.428571  0.125000      2.000000
 -0.166667 -0.428571  0.125000      2.000000
 -0.000000 -0.285714  0.125000      2.000000
  0.166667 -0.285714  0.125000      2.000000
  0.333333 -0.285714  0.125000      2.000000
  0.500000 -0.285714  0.125000      2.000000
 -0.333333 -0.285714  0.125000      2.000000
 -0.166667 -0.285714  0.125000      2.000000
  0.000000 -0.142857  0.125000      2.000000
  0.166667 -0.142857  0.125000      2.000000
  0.333333 -0.142857  0.125000      2.000000
  0.500000 -0.142857  0.125000      2.000000
 -0.333333 -0.142857  0.125000      2.000000
 -0.166667 -0.142857  0.125000      2.000000
 -0.000000  0.000000  0.250000      2.000000
  0.166667  0.000000  0.250000      2.000000
  0.333333  0.000000  0.250000      2.000000
  0.500000  0.000000  0.250000      2.000000
 -0.333333  0.000000  0.250000      2.000000
 -0.166667  0.000000  0.250000      2.000000
 -0.000000  0.142857  0.250000      2.000000
  0.166667  0.142857  0.250000      2.000000
  0.333333  0.142857  0.250000      2.000000
  0.500000  0.142857  0.250000      2.000000
 -0.333333  0.142857  0.250000      2.000000
 -0.166667  0.142857  0.250000      2.000000
  0.000000  0.285714  0.250000      2.000000
  0.166667  0.285714  0.250000      2.000000
  0.333333  0.285714  0.250000      2.000000
  0.500000  0.285714  0.250000      2.000000
 -0.333333  0.285714  0.250000      2.000000
 -0.166667  0.285714  0.250000      2.000000
  0.000000  0.428571  0.250000      2.000000
  0.166667  0.428571  0.250000      2.000000
  0.333333  0.428571  0.250000      2.000000
  0.500000  0.428571  0.250000      2.000000
 -0.333333  0.428571  0.250000      2.000000
 -0.166667  0.428571  0.250000      2.000000
 -0.000000 -0.428571  0.250000      2.000000
  0.166667 -0.428571  0.250000      2.000000
  0.333333 -0.428571  0.250000      2.000000
  0.500000 -0.428571  0.250000      2.000000
 -0.333333 -0.428571  0.250000      2.000000
 -0.166667 -0.428571  0.250000      2.000000
 -0.000000 -0.285714  0.250000      2.000000
  0.166667 -0.285714  0.250000      2.000000
  0.333333 -0.285714  0.250000      2.000000
  0.500000 -0.285714  0.250000      2.000000
 -0.333333 -0.285714  0.250000      2.000000
 -0.166667 -0.285714  0.250000      2.000000
 -0.000000 -0.142857  0.250000      2.000000
  0.166667 -0.142857  0.250000      2.000000
  0.333333 -0.142857  0.250000      2.000000
  0.500000 -0.142857  0.250000      2.000000
 -0.333333 -0.142857  0.250000      2.000000
 -0.166667 -0.142857  0.250000      2.000000
 -0.000000 -0.000000  0.375000      2.000000
  0.166667  0.000000  0.375000      2.000000
  0.333333  0.000000  0.375000      2.000000
  0.500000  0.000000  0.375000      2.000000
 -0.333333  0.000000  0.375000      2.000000
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 -0.000000  0.142857  0.375000      2.000000
  0.166667  0.142857  0.375000      2.000000
  0.333333  0.142857  0.375000      2.000000
  0.500000  0.142857  0.375000      2.000000
 -0.333333  0.142857  0.375000      2.000000
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 -0.000000  0.285714  0.375000      2.000000
  0.166667  0.285714  0.375000      2.000000
  0.333333  0.285714  0.375000      2.000000
  0.500000  0.285714  0.375000      2.000000
 -0.333333  0.285714  0.375000      2.000000
 -0.166667  0.285714  0.375000      2.000000
  0.000000  0.428571  0.375000      2.000000
  0.166667  0.428571  0.375000      2.000000
  0.333333  0.428571  0.375000      2.000000
  0.500000  0.428571  0.375000      2.000000
 -0.333333  0.428571  0.375000      2.000000
 -0.166667  0.428571  0.375000      2.000000
 -0.000000 -0.428571  0.375000      2.000000
  0.166667 -0.428571  0.375000      2.000000
  0.333333 -0.428571  0.375000      2.000000
  0.500000 -0.428571  0.375000      2.000000
 -0.333333 -0.428571  0.375000      2.000000
 -0.166667 -0.428571  0.375000      2.000000
 -0.000000 -0.285714  0.375000      2.000000
  0.166667 -0.285714  0.375000      2.000000
  0.333333 -0.285714  0.375000      2.000000
  0.500000 -0.285714  0.375000      2.000000
 -0.333333 -0.285714  0.375000      2.000000
 -0.166667 -0.285714  0.375000      2.000000
 -0.000000 -0.142857  0.375000      2.000000
  0.166667 -0.142857  0.375000      2.000000
  0.333333 -0.142857  0.375000      2.000000
  0.500000 -0.142857  0.375000      2.000000
 -0.333333 -0.142857  0.375000      2.000000
 -0.166667 -0.142857  0.375000      2.000000
 -0.000000  0.000000  0.500000      1.000000
  0.166667  0.000000  0.500000      2.000000
  0.333333  0.000000  0.500000      2.000000
  0.500000  0.000000  0.500000      1.000000
 -0.000000  0.142857  0.500000      2.000000
  0.166667  0.142857  0.500000      2.000000
  0.333333  0.142857  0.500000      2.000000
  0.500000  0.142857  0.500000      2.000000
 -0.333333  0.142857  0.500000      2.000000
 -0.166667  0.142857  0.500000      2.000000
 -0.000000  0.285714  0.500000      2.000000
  0.166667  0.285714  0.500000      2.000000
  0.333333  0.285714  0.500000      2.000000
  0.500000  0.285714  0.500000      2.000000
 -0.333333  0.285714  0.500000      2.000000
 -0.166667  0.285714  0.500000      2.000000
 -0.000000  0.428571  0.500000      2.000000
  0.166667  0.428571  0.500000      2.000000
  0.333333  0.428571  0.500000      2.000000
  0.500000  0.428571  0.500000      2.000000
 -0.333333  0.428571  0.500000      2.000000
 -0.166667  0.428571  0.500000      2.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.016392  0.000000  0.007447      2.000000
  0.032784  0.000000  0.014895      2.000000
  0.049175  0.000000  0.022342      1.000000
  0.000000  0.015527 -0.000001      2.000000
  0.016392  0.015527  0.007447      2.000000
  0.032784  0.015527  0.014894      2.000000
  0.049176  0.015527  0.022341      2.000000
 -0.032783  0.015527 -0.014895      2.000000
 -0.016391  0.015527 -0.007448      2.000000
  0.000001  0.031054 -0.000001      2.000000
  0.016392  0.031054  0.007446      2.000000
  0.032784  0.031054  0.014893      2.000000
  0.049176  0.031055  0.022341      2.000000
 -0.032783  0.031054 -0.014896      2.000000
 -0.016391  0.031054 -0.007449      2.000000
  0.000001  0.046582 -0.000002      2.000000
  0.016393  0.046582  0.007445      2.000000
  0.032784  0.046582  0.014893      2.000000
  0.049176  0.046582  0.022340      2.000000
 -0.032783  0.046582 -0.014897      2.000000
 -0.016391  0.046582 -0.007449      2.000000
  0.000005 -0.000001  0.016272      2.000000
  0.016396 -0.000001  0.023720      2.000000
  0.032788 -0.000001  0.031167      2.000000
  0.049180 -0.000001  0.038615      2.000000
 -0.032779 -0.000001  0.001378      2.000000
 -0.016387 -0.000001  0.008825      2.000000
  0.000005  0.015527  0.016272      2.000000
  0.016397  0.015527  0.023719      2.000000
  0.032788  0.015527  0.031167      2.000000
  0.049180  0.015527  0.038614      2.000000
 -0.032779  0.015526  0.001377      2.000000
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  0.000005  0.031054  0.016271      2.000000
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 -0.032778  0.031054  0.001377      2.000000
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  0.000009 -0.000001  0.032545      2.000000
  0.016401 -0.000001  0.039992      2.000000
  0.032793 -0.000001  0.047440      2.000000
  0.049185 -0.000001  0.054887      2.000000
 -0.032774 -0.000001  0.017650      2.000000
 -0.016383 -0.000001  0.025098      2.000000
  0.000010  0.015526  0.032544      2.000000
  0.016401  0.015526  0.039992      2.000000
  0.032793  0.015526  0.047439      2.000000
  0.049185  0.015526  0.054886      2.000000
 -0.032774  0.015526  0.017650      2.000000
 -0.016382  0.015526  0.025097      2.000000
  0.000010  0.031053  0.032544      2.000000
  0.016402  0.031053  0.039991      2.000000
  0.032793  0.031053  0.047438      2.000000
  0.049185  0.031053  0.054886      2.000000
 -0.032774  0.031053  0.017649      2.000000
 -0.016382  0.031053  0.025096      2.000000
  0.000010  0.046580  0.032543      2.000000
  0.016402  0.046580  0.039990      2.000000
  0.032794  0.046580  0.047438      2.000000
  0.049186  0.046580  0.054885      2.000000
 -0.032773  0.046580  0.017648      2.000000
 -0.016382  0.046580  0.025096      2.000000
  0.000008 -0.046583  0.032547      2.000000
  0.016400 -0.046583  0.039994      2.000000
  0.032792 -0.046583  0.047442      2.000000
  0.049184 -0.046583  0.054889      2.000000
 -0.032775 -0.046583  0.017652      2.000000
 -0.016383 -0.046583  0.025100      2.000000
  0.000009 -0.031056  0.032546      2.000000
  0.016400 -0.031056  0.039994      2.000000
  0.032792 -0.031056  0.047441      2.000000
  0.049184 -0.031056  0.054888      2.000000
 -0.032775 -0.031056  0.017652      2.000000
 -0.016383 -0.031056  0.025099      2.000000
  0.000009 -0.015529  0.032546      2.000000
  0.016401 -0.015529  0.039993      2.000000
  0.032792 -0.015528  0.047440      2.000000
  0.049184 -0.015528  0.054888      2.000000
 -0.032775 -0.015529  0.017651      2.000000
 -0.016383 -0.015529  0.025098      2.000000
  0.000014 -0.000002  0.048817      2.000000
  0.016406 -0.000002  0.056265      2.000000
  0.032797 -0.000002  0.063712      2.000000
  0.049189 -0.000002  0.071159      2.000000
 -0.032770 -0.000002  0.033923      2.000000
 -0.016378 -0.000002  0.041370      2.000000
  0.000014  0.015525  0.048817      2.000000
  0.016406  0.015525  0.056264      2.000000
  0.032798  0.015525  0.063712      2.000000
  0.049189  0.015525  0.071159      2.000000
 -0.032769  0.015525  0.033922      2.000000
 -0.016378  0.015525  0.041369      2.000000
  0.000015  0.031052  0.048816      2.000000
  0.016406  0.031052  0.056264      2.000000
  0.032798  0.031052  0.063711      2.000000
  0.049190  0.031052  0.071158      2.000000
 -0.032769  0.031052  0.033921      2.000000
 -0.016377  0.031052  0.041369      2.000000
  0.000015  0.046580  0.048816      2.000000
  0.016407  0.046580  0.056263      2.000000
  0.032798  0.046580  0.063710      2.000000
  0.049190  0.046580  0.071158      2.000000
 -0.032769  0.046579  0.033921      2.000000
 -0.016377  0.046580  0.041368      2.000000
  0.000013 -0.046584  0.048819      2.000000
  0.016405 -0.046584  0.056267      2.000000
  0.032796 -0.046584  0.063714      2.000000
  0.049188 -0.046584  0.071161      2.000000
 -0.032771 -0.046584  0.033925      2.000000
 -0.016379 -0.046584  0.041372      2.000000
  0.000013 -0.031056  0.048819      2.000000
  0.016405 -0.031056  0.056266      2.000000
  0.032797 -0.031056  0.063713      2.000000
  0.049189 -0.031056  0.071161      2.000000
 -0.032770 -0.031056  0.033924      2.000000
 -0.016379 -0.031056  0.041371      2.000000
  0.000014 -0.015529  0.048818      2.000000
  0.016405 -0.015529  0.056265      2.000000
  0.032797 -0.015529  0.063713      2.000000
  0.049189 -0.015529  0.071160      2.000000
 -0.032770 -0.015529  0.033923      2.000000
 -0.016378 -0.015529  0.041371      2.000000
  0.000018 -0.000003  0.065090      1.000000
  0.016410 -0.000003  0.072537      2.000000
  0.032802 -0.000003  0.079985      2.000000
  0.049194 -0.000003  0.087432      1.000000
  0.000019  0.015524  0.065089      2.000000
  0.016411  0.015525  0.072537      2.000000
  0.032802  0.015525  0.079984      2.000000
  0.049194  0.015525  0.087431      2.000000
 -0.032765  0.015524  0.050195      2.000000
 -0.016373  0.015524  0.057642      2.000000
  0.000019  0.031052  0.065089      2.000000
  0.016411  0.031052  0.072536      2.000000
  0.032803  0.031052  0.079983      2.000000
  0.049194  0.031052  0.087431      2.000000
 -0.032764  0.031052  0.050194      2.000000
 -0.016373  0.031052  0.057641      2.000000
  0.000019  0.046579  0.065088      2.000000
  0.016411  0.046579  0.072535      2.000000
  0.032803  0.046579  0.079983      2.000000
  0.049195  0.046579  0.087430      2.000000
 -0.032764  0.046579  0.050193      2.000000
 -0.016372  0.046579  0.057641      2.000000
 
 TETIRR: Found   1008 inequivalent tetrahedra from     2016


----------------------------------------- Iteration    3(   1)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  381.4558: real time  381.8587

  free energy    TOTEN  =     -1152.94916051 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   2)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  320.0840: real time  320.2291

  free energy    TOTEN  =     -1220.25966671 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   3)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  444.8838: real time  445.0684

  free energy    TOTEN  =     -1224.09693255 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   4)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  410.4337: real time  410.6010

  free energy    TOTEN  =     -1224.27279387 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   5)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  475.9137: real time  476.1102

  free energy    TOTEN  =     -1224.28187326 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   6)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  487.0624: real time  487.2724

  free energy    TOTEN  =     -1224.28247952 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   7)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  479.1619: real time  479.3650

  free energy    TOTEN  =     -1224.28252641 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   8)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  432.4670: real time  432.6539

  free energy    TOTEN  =     -1224.28252995 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   9)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  416.0260: real time  416.2107

  free energy    TOTEN  =     -1224.28253031 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  10)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  364.2988: real time  364.4540

  free energy    TOTEN  =     -1224.28253034 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  11)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  354.4302: real time  354.5794

  free energy    TOTEN  =     -1224.28253034 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  12)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  350.9299: real time  351.0796

  free energy    TOTEN  =     -1224.28253034 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  13)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  335.3490: real time  335.4929

  free energy    TOTEN  =     -1224.28253034 eV
  ---------------------------------------------------


------------------------ aborting loop because EDIFF is reached ----------------------------------------




----------------------------------------- Iteration    3(   1)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  358.2464: real time  358.5016

  free energy    TOTEN  =     -1152.95156916 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   2)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  303.1069: real time  303.2374

  free energy    TOTEN  =     -1220.26259778 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   3)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  311.6595: real time  311.8081

  free energy    TOTEN  =     -1224.10025316 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   4)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  307.2112: real time  307.3431

  free energy    TOTEN  =     -1224.27606161 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   5)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  309.3113: real time  309.4429

  free energy    TOTEN  =     -1224.28513619 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   6)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  308.2313: real time  308.3666

  free energy    TOTEN  =     -1224.28574158 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   7)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  314.6517: real time  314.7872

  free energy    TOTEN  =     -1224.28578839 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   8)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  314.4637: real time  314.5996

  free energy    TOTEN  =     -1224.28579192 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   9)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  312.0835: real time  312.2187

  free energy    TOTEN  =     -1224.28579228 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  10)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  273.2811: real time  273.3978

  free energy    TOTEN  =     -1224.28579231 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  11)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  251.7477: real time  251.8558

  free energy    TOTEN  =     -1224.28579231 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  12)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  247.6555: real time  247.7621

  free energy    TOTEN  =     -1224.28579231 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  13)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  240.1510: real time  240.2529

  free energy    TOTEN  =     -1224.28579231 eV
  ---------------------------------------------------


------------------------ aborting loop because EDIFF is reached ----------------------------------------




----------------------------------------- Iteration    3(   1)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  350.3419: real time  350.5674

  free energy    TOTEN  =     -1152.94867486 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   2)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  310.1274: real time  310.2594

  free energy    TOTEN  =     -1220.25956627 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   3)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  319.5840: real time  319.7378

  free energy    TOTEN  =     -1224.09661364 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   4)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  318.4799: real time  318.6218

  free energy    TOTEN  =     -1224.27242251 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   5)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  319.6640: real time  319.8013

  free energy    TOTEN  =     -1224.28149168 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   6)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  316.1398: real time  316.2732

  free energy    TOTEN  =     -1224.28209674 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   7)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  315.8237: real time  315.9576

  free energy    TOTEN  =     -1224.28214349 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   8)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  310.4034: real time  310.5357

  free energy    TOTEN  =     -1224.28214701 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   9)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  311.8355: real time  311.9668

  free energy    TOTEN  =     -1224.28214737 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  10)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  268.2848: real time  268.4005

  free energy    TOTEN  =     -1224.28214740 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  11)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  243.9512: real time  244.0559

  free energy    TOTEN  =     -1224.28214740 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  12)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  246.6074: real time  246.7133

  free energy    TOTEN  =     -1224.28214740 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  13)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  237.2748: real time  237.3755

  free energy    TOTEN  =     -1224.28214740 eV
  ---------------------------------------------------


------------------------ aborting loop because EDIFF is reached ----------------------------------------




----------------------------------------- Iteration    2(   1)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  340.7373: real time  340.9720

  free energy    TOTEN  =     -1151.59222283 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   2)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  293.7584: real time  293.8836

  free energy    TOTEN  =     -1220.58937709 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   3)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  408.0575: real time  408.2300

  free energy    TOTEN  =     -1224.34087918 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   4)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  404.8093: real time  405.0057

  free energy    TOTEN  =     -1224.52872777 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   5)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  406.3934: real time  406.5640

  free energy    TOTEN  =     -1224.53803863 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   6)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  303.2109: real time  303.3420

  free energy    TOTEN  =     -1224.53866265 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   7)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  305.0791: real time  305.2089

  free energy    TOTEN  =     -1224.53870430 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   8)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  302.1749: real time  302.3019

  free energy    TOTEN  =     -1224.53870713 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   9)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  398.8569: real time  399.0275

  free energy    TOTEN  =     -1224.53870738 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  10)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  361.2826: real time  361.4360

  free energy    TOTEN  =     -1224.53870740 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  11)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  347.1177: real time  347.2666

  free energy    TOTEN  =     -1224.53870741 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  12)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  235.3427: real time  235.4432

  free energy    TOTEN  =     -1224.53870741 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  13)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  328.1205: real time  328.2617

  free energy    TOTEN  =     -1224.53870741 eV
  ---------------------------------------------------


------------------------ aborting loop because EDIFF is reached ----------------------------------------




----------------------------------------- Iteration    2(   1)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  330.6967: real time  330.9370

  free energy    TOTEN  =     -1151.59587422 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   2)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  287.9180: real time  288.0459

  free energy    TOTEN  =     -1220.59426814 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   3)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  398.9889: real time  399.1618

  free energy    TOTEN  =     -1224.34401925 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   4)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  396.1368: real time  396.3088

  free energy    TOTEN  =     -1224.53183679 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   5)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  400.9171: real time  401.0947

  free energy    TOTEN  =     -1224.54114078 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   6)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  398.6929: real time  398.8643

  free energy    TOTEN  =     -1224.54176478 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   7)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  406.4014: real time  406.5780

  free energy    TOTEN  =     -1224.54180635 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   8)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  411.8097: real time  411.9869

  free energy    TOTEN  =     -1224.54180917 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   9)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  413.5978: real time  413.7722

  free energy    TOTEN  =     -1224.54180943 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  10)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  371.0272: real time  371.1846

  free energy    TOTEN  =     -1224.54180945 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  11)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  349.8899: real time  350.0376

  free energy    TOTEN  =     -1224.54180945 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  12)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  335.0249: real time  335.1656

  free energy    TOTEN  =     -1224.54180945 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  13)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  326.8564: real time  326.9969

  free energy    TOTEN  =     -1224.54180945 eV
  ---------------------------------------------------


------------------------ aborting loop because EDIFF is reached ----------------------------------------




----------------------------------------- Iteration    2(   1)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  338.1051: real time  338.3334

  free energy    TOTEN  =     -1151.59385801 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   2)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  288.4100: real time  288.5356

  free energy    TOTEN  =     -1220.58977592 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   3)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  301.9749: real time  302.1084

  free energy    TOTEN  =     -1224.34028516 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   4)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  299.6547: real time  299.7888

  free energy    TOTEN  =     -1224.52803283 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   5)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  305.7391: real time  305.8711

  free energy    TOTEN  =     -1224.53732839 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   6)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  302.0549: real time  302.1862

  free energy    TOTEN  =     -1224.53795132 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   7)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  300.7308: real time  300.8614

  free energy    TOTEN  =     -1224.53799278 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   8)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  301.2788: real time  301.4078

  free energy    TOTEN  =     -1224.53799560 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   9)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  301.6989: real time  301.8269

  free energy    TOTEN  =     -1224.53799585 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  10)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  260.1443: real time  260.2546

  free energy    TOTEN  =     -1224.53799587 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  11)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  246.4714: real time  246.5757

  free energy    TOTEN  =     -1224.53799587 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  12)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  233.7226: real time  233.8248

  free energy    TOTEN  =     -1224.53799587 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  13)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  231.0064: real time  231.1037

  free energy    TOTEN  =     -1224.53799587 eV
  ---------------------------------------------------


------------------------ aborting loop because EDIFF is reached ----------------------------------------




----------------------------------------- Iteration (   1)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  257.5361: real time  257.8017

  free energy    TOTEN  =        -7.00037005 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   2)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  272.5490: real time  272.6649

  free energy    TOTEN  =        -7.68854793 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   3)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  284.6618: real time  284.7836

  free energy    TOTEN  =        -7.71726317 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   4)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  285.9939: real time  286.1175

  free energy    TOTEN  =        -7.71841336 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   5)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  284.7298: real time  284.8552

  free energy    TOTEN  =        -7.71848970 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   6)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  286.2459: real time  286.3695

  free energy    TOTEN  =        -7.71849402 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   7)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  282.9857: real time  283.1071

  free energy    TOTEN  =        -7.71849435 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   8)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  255.3360: real time  255.4462

  free energy    TOTEN  =        -7.71849438 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   9)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  243.6112: real time  243.7149

  free energy    TOTEN  =        -7.71849438 eV
  ---------------------------------------------------


----------------------------------------- Iteration (  10)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  227.0182: real time  227.1176

  free energy    TOTEN  =        -7.71849438 eV
  ---------------------------------------------------


----------------------------------------- Iteration (  11)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  213.2813: real time  213.3736

  free energy    TOTEN  =        -7.71849438 eV
  ---------------------------------------------------


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 
 -------------------------------------------------------------
  EXTERNAL FIELD APPLIED IN DIRECTION           1
 -------------------------------------------------------------
                        MAGNETIC FIELD (mu_B/Angstrom3/1e6)
  ATOM                 X                 Y                 Z
 -------------------------------------------------------------
     1     -0.204083E+02      0.161477E+01     -0.135768E+00
     2     -0.328610E+02      0.352007E+01     -0.438191E-01
     3     -0.193233E+02     -0.522401E+01     -0.310942E+01
     4     -0.153540E+02     -0.495166E+01     -0.144405E+02
     5     -0.118074E+02     -0.178465E+01      0.103498E+02
     6     -0.204103E+02     -0.161827E+01     -0.134975E+00
     7     -0.328542E+02     -0.351673E+01     -0.405768E-01
     8     -0.193200E+02      0.522391E+01     -0.310564E+01
     9     -0.153486E+02      0.495755E+01     -0.144344E+02
    10     -0.118049E+02      0.178871E+01      0.103505E+02
    11     -0.204086E+02      0.161537E+01     -0.135204E+00
    12     -0.328588E+02      0.352343E+01     -0.439788E-01
    13     -0.193232E+02     -0.522380E+01     -0.310999E+01
    14     -0.153566E+02     -0.494929E+01     -0.144408E+02
    15     -0.118093E+02     -0.178528E+01      0.103511E+02
    16     -0.204106E+02     -0.161736E+01     -0.134802E+00
    17     -0.328515E+02     -0.352042E+01     -0.398204E-01
    18     -0.193226E+02      0.522448E+01     -0.310425E+01
    19     -0.153475E+02      0.495630E+01     -0.144323E+02
    20     -0.118055E+02      0.178919E+01      0.103492E+02
    21      0.216089E+03     -0.116912E+02      0.214988E+02
    22      0.177372E+03      0.195850E+02     -0.233745E+02
    23      0.216145E+03      0.116727E+02      0.215502E+02
    24      0.177375E+03     -0.195864E+02     -0.233766E+02
    25      0.216116E+03     -0.116875E+02      0.214888E+02
    26      0.177373E+03      0.195907E+02     -0.233668E+02
    27      0.216116E+03      0.116850E+02      0.215496E+02
    28      0.177363E+03     -0.195857E+02     -0.233701E+02
    29      0.291085E+02      0.598503E+00     -0.105910E+01
    30     -0.504916E+00     -0.856838E+01     -0.577116E+01
    31      0.158894E+02     -0.426681E+01      0.600797E+00
    32      0.266927E+03     -0.583907E+02      0.326593E+02
    33      0.231678E+03      0.546702E+01      0.739691E+02
    34      0.127704E+03     -0.357472E+02      0.246184E+01
    35      0.146604E+03      0.196626E+02     -0.860752E+02
    36      0.147415E+03      0.692520E+02     -0.487775E+02
    37      0.119441E+03      0.297374E+02     -0.286406E+02
    38      0.290874E+02     -0.597210E+00     -0.105823E+01
    39     -0.460413E+00      0.859299E+01     -0.577221E+01
    40      0.158903E+02      0.425877E+01      0.620128E+00
    41      0.266864E+03      0.584330E+02      0.327500E+02
    42      0.231793E+03     -0.555864E+01      0.740189E+02
    43      0.127752E+03      0.356113E+02      0.256651E+01
    44      0.146624E+03     -0.196322E+02     -0.860987E+02
    45      0.147438E+03     -0.692471E+02     -0.487809E+02
    46      0.119432E+03     -0.297394E+02     -0.287058E+02
    47      0.290960E+02      0.592322E+00     -0.105744E+01
    48     -0.496327E+00     -0.856097E+01     -0.577333E+01
    49      0.158901E+02     -0.426431E+01      0.598730E+00
    50      0.266945E+03     -0.583845E+02      0.326246E+02
    51      0.231761E+03      0.546815E+01      0.739497E+02
    52      0.127708E+03     -0.356897E+02      0.245638E+01
    53      0.146588E+03      0.196739E+02     -0.860522E+02
    54      0.147410E+03      0.692552E+02     -0.487554E+02
    55      0.119453E+03      0.297571E+02     -0.286171E+02
    56      0.290807E+02     -0.588277E+00     -0.104791E+01
    57     -0.465629E+00      0.858898E+01     -0.576590E+01
    58      0.159023E+02      0.425740E+01      0.624305E+00
    59      0.266752E+03      0.584455E+02      0.327692E+02
    60      0.231746E+03     -0.554736E+01      0.740200E+02
    61      0.127732E+03      0.355784E+02      0.259730E+01
    62      0.146581E+03     -0.196233E+02     -0.860696E+02
    63      0.147424E+03     -0.692437E+02     -0.487731E+02
    64      0.119415E+03     -0.297603E+02     -0.286816E+02
    65     -0.134068E+03     -0.541820E+00     -0.944553E-02
    66     -0.142441E+03      0.288637E+01      0.667589E+01
    67     -0.134070E+03      0.520457E+00     -0.168399E-01
    68     -0.142420E+03     -0.287671E+01      0.667290E+01
    69     -0.134062E+03     -0.545490E+00     -0.169085E-01
    70     -0.142420E+03      0.288473E+01      0.666422E+01
    71     -0.134076E+03      0.534471E+00     -0.105862E-01
    72     -0.142439E+03     -0.287715E+01      0.667283E+01
    73     -0.153781E+03      0.888055E+00     -0.850429E+01
    74     -0.153803E+03     -0.887630E+00     -0.851539E+01
 
 -------------------------------------------------------------
   plane wave contribution
 -------------------------------------------------------------
     1     -0.198195E+02      0.161747E+01     -0.135862E+00
     2     -0.323807E+02      0.352809E+01     -0.420265E-01
     3     -0.187595E+02     -0.523517E+01     -0.311556E+01
     4     -0.148347E+02     -0.495730E+01     -0.144646E+02
     5     -0.112530E+02     -0.178521E+01      0.103656E+02
     6     -0.198216E+02     -0.162098E+01     -0.135069E+00
     7     -0.323738E+02     -0.352474E+01     -0.387800E-01
     8     -0.187563E+02      0.523507E+01     -0.311178E+01
     9     -0.148292E+02      0.496320E+01     -0.144584E+02
    10     -0.112505E+02      0.178928E+01      0.103663E+02
    11     -0.198199E+02      0.161808E+01     -0.135297E+00
    12     -0.323786E+02      0.353144E+01     -0.421866E-01
    13     -0.187594E+02     -0.523496E+01     -0.311613E+01
    14     -0.148373E+02     -0.495492E+01     -0.144649E+02
    15     -0.112549E+02     -0.178584E+01      0.103669E+02
    16     -0.198219E+02     -0.162007E+01     -0.134897E+00
    17     -0.323712E+02     -0.352843E+01     -0.380242E-01
    18     -0.187588E+02      0.523564E+01     -0.311039E+01
    19     -0.148282E+02      0.496195E+01     -0.144564E+02
    20     -0.112511E+02      0.178976E+01      0.103650E+02
    21      0.124292E+03     -0.615784E+01      0.115857E+02
    22      0.103107E+03      0.107615E+02     -0.129407E+02
    23      0.124331E+03      0.614938E+01      0.116171E+02
    24      0.103109E+03     -0.107628E+02     -0.129417E+02
    25      0.124309E+03     -0.615658E+01      0.115802E+02
    26      0.103108E+03      0.107648E+02     -0.129367E+02
    27      0.124313E+03      0.615703E+01      0.116158E+02
    28      0.103101E+03     -0.107620E+02     -0.129379E+02
    29     -0.571516E+02      0.261187E+00     -0.573045E+00
    30     -0.692226E+02     -0.318824E+01     -0.187365E+01
    31     -0.624269E+02     -0.279444E+01      0.524613E+00
    32      0.450757E+02     -0.247168E+02      0.133906E+02
    33      0.304657E+02      0.348562E+01      0.307980E+02
    34     -0.138392E+02     -0.148749E+02      0.355017E+00
    35     -0.462924E+01      0.775471E+01     -0.362379E+02
    36     -0.539742E+01      0.293349E+02     -0.203401E+02
    37     -0.167599E+02      0.117366E+02     -0.124236E+02
    38     -0.571609E+02     -0.260345E+00     -0.572387E+00
    39     -0.692031E+02      0.319884E+01     -0.187441E+01
    40     -0.624256E+02      0.279195E+01      0.532495E+00
    41      0.450474E+02      0.247355E+02      0.134292E+02
    42      0.305150E+02     -0.352323E+01      0.308167E+02
    43     -0.138177E+02      0.148168E+02      0.401189E+00
    44     -0.462068E+01     -0.774181E+01     -0.362477E+02
    45     -0.538776E+01     -0.293327E+02     -0.203413E+02
    46     -0.167634E+02     -0.117378E+02     -0.124513E+02
    47     -0.571569E+02      0.258363E+00     -0.572385E+00
    48     -0.692188E+02     -0.318526E+01     -0.187427E+01
    49     -0.624267E+02     -0.279338E+01      0.523600E+00
    50      0.450835E+02     -0.247146E+02      0.133760E+02
    51      0.305007E+02      0.348590E+01      0.307898E+02
    52     -0.138379E+02     -0.148502E+02      0.353363E+00
    53     -0.463603E+01      0.775966E+01     -0.362283E+02
    54     -0.539930E+01      0.293358E+02     -0.203312E+02
    55     -0.167544E+02      0.117450E+02     -0.124136E+02
    56     -0.571639E+02     -0.256574E+00     -0.568048E+00
    57     -0.692055E+02      0.319725E+01     -0.187177E+01
    58     -0.624206E+02      0.279151E+01      0.534209E+00
    59      0.449991E+02      0.247409E+02      0.134372E+02
    60      0.304947E+02     -0.351817E+01      0.308170E+02
    61     -0.138259E+02      0.148020E+02      0.413972E+00
    62     -0.463956E+01     -0.773778E+01     -0.362357E+02
    63     -0.539329E+01     -0.293311E+02     -0.203381E+02
    64     -0.167708E+02     -0.117467E+02     -0.124408E+02
    65     -0.103559E+03     -0.114335E+00     -0.755336E-03
    66     -0.105559E+03      0.615574E+00      0.166682E+01
    67     -0.103558E+03      0.110633E+00     -0.170743E-02
    68     -0.105556E+03     -0.614425E+00      0.166673E+01
    69     -0.103558E+03     -0.114974E+00     -0.201421E-02
    70     -0.105557E+03      0.616289E+00      0.166531E+01
    71     -0.103561E+03      0.112898E+00     -0.161788E-02
    72     -0.105557E+03     -0.614731E+00      0.166635E+01
    73     -0.108146E+03      0.617864E+00     -0.138778E+01
    74     -0.108148E+03     -0.617986E+00     -0.139032E+01
 
 -------------------------------------------------------------
   one center paramagnetic contribution
 -------------------------------------------------------------
     1     -0.317803E-01     -0.282897E-02      0.984349E-04
     2     -0.406314E-02     -0.836437E-02     -0.187369E-02
     3     -0.303188E-01      0.116574E-01      0.640123E-02
     4     -0.330377E-01      0.585497E-02      0.249475E-01
     5     -0.394765E-01      0.551832E-03     -0.163854E-01
     6     -0.317805E-01      0.283510E-02      0.990753E-04
     7     -0.406604E-02      0.836358E-02     -0.187812E-02
     8     -0.303125E-01     -0.116594E-01      0.639423E-02
     9     -0.330520E-01     -0.586528E-02      0.249415E-01
    10     -0.394825E-01     -0.558395E-03     -0.163863E-01
    11     -0.317828E-01     -0.282996E-02      0.979400E-04
    12     -0.406452E-02     -0.836912E-02     -0.187333E-02
    13     -0.303180E-01      0.116573E-01      0.640353E-02
    14     -0.330343E-01      0.585000E-02      0.249480E-01
    15     -0.394713E-01      0.552811E-03     -0.163873E-01
    16     -0.317798E-01      0.283277E-02      0.993226E-04
    17     -0.406743E-02      0.836909E-02     -0.187741E-02
    18     -0.303105E-01     -0.116601E-01      0.639185E-02
    19     -0.330425E-01     -0.586129E-02      0.249355E-01
    20     -0.394742E-01     -0.558436E-03     -0.163838E-01
    21      0.951619E+02     -0.551498E+01      0.989299E+01
    22      0.776646E+02      0.880061E+01     -0.104050E+02
    23      0.951796E+02      0.550492E+01      0.991305E+01
    24      0.776658E+02     -0.880067E+01     -0.104061E+02
    25      0.951724E+02     -0.551252E+01      0.988855E+01
    26      0.776643E+02      0.880292E+01     -0.104013E+02
    27      0.951682E+02      0.550962E+01      0.991369E+01
    28      0.776609E+02     -0.880080E+01     -0.104033E+02
    29      0.949085E+02      0.285487E+00     -0.472315E+00
    30      0.778032E+02     -0.523554E+01     -0.376184E+01
    31      0.872979E+02     -0.133832E+01      0.819318E-01
    32      0.230425E+03     -0.334078E+02      0.193001E+02
    33      0.209988E+03      0.166296E+01      0.429751E+02
    34      0.150655E+03     -0.208351E+02      0.234612E+01
    35      0.159978E+03      0.120286E+02     -0.496979E+02
    36      0.161579E+03      0.397461E+02     -0.284733E+02
    37      0.145096E+03      0.181253E+02     -0.163639E+02
    38      0.948967E+02     -0.284864E+00     -0.472089E+00
    39      0.778284E+02      0.524954E+01     -0.376224E+01
    40      0.872978E+02      0.133252E+01      0.933769E-01
    41      0.230390E+03      0.334308E+02      0.193520E+02
    42      0.210052E+03     -0.171682E+01      0.430065E+02
    43      0.150681E+03      0.207575E+02      0.240441E+01
    44      0.159989E+03     -0.120110E+02     -0.497116E+02
    45      0.161592E+03     -0.397435E+02     -0.284756E+02
    46      0.145091E+03     -0.181261E+02     -0.164014E+02
    47      0.949013E+02      0.282085E+00     -0.471330E+00
    48      0.778081E+02     -0.523116E+01     -0.376330E+01
    49      0.872983E+02     -0.133693E+01      0.808699E-01
    50      0.230436E+03     -0.334036E+02      0.192802E+02
    51      0.210035E+03      0.166382E+01      0.429638E+02
    52      0.150658E+03     -0.208022E+02      0.234233E+01
    53      0.159969E+03      0.120349E+02     -0.496845E+02
    54      0.161576E+03      0.397485E+02     -0.284601E+02
    55      0.145103E+03      0.181366E+02     -0.163504E+02
    56      0.948929E+02     -0.279754E+00     -0.466072E+00
    57      0.778255E+02      0.524712E+01     -0.375856E+01
    58      0.873046E+02      0.133162E+01      0.958615E-01
    59      0.230327E+03      0.334378E+02      0.193632E+02
    60      0.210025E+03     -0.171071E+01      0.430073E+02
    61      0.150670E+03      0.207394E+02      0.242246E+01
    62      0.159965E+03     -0.120062E+02     -0.496947E+02
    63      0.161584E+03     -0.397418E+02     -0.284708E+02
    64      0.145081E+03     -0.181381E+02     -0.163876E+02
    65      0.137691E+03     -0.448374E+00     -0.674470E-02
    66      0.131181E+03      0.229153E+01      0.505954E+01
    67      0.137689E+03      0.430514E+00     -0.132146E-01
    68      0.131199E+03     -0.228296E+01      0.505661E+01
    69      0.137696E+03     -0.451442E+00     -0.130087E-01
    70      0.131199E+03      0.228919E+01      0.504928E+01
    71      0.137685E+03      0.442392E+00     -0.700724E-02
    72      0.131181E+03     -0.228312E+01      0.505691E+01
    73      0.122551E+03      0.257116E+00     -0.712977E+01
    74      0.122530E+03     -0.256476E+00     -0.713845E+01
 
 -------------------------------------------------------------
   one center diamagnetic contribution
 -------------------------------------------------------------
     1     -0.556947E+00      0.123883E-03     -0.436610E-05
     2     -0.476188E+00      0.352509E-03      0.811185E-04
     3     -0.533529E+00     -0.495806E-03     -0.257535E-03
     4     -0.486241E+00     -0.215304E-03     -0.860566E-03
     5     -0.514920E+00      0.104409E-04      0.636151E-03
     6     -0.556950E+00     -0.124134E-03     -0.438792E-05
     7     -0.476300E+00     -0.352615E-03      0.812428E-04
     8     -0.533460E+00      0.495871E-03     -0.257257E-03
     9     -0.486340E+00      0.215714E-03     -0.860571E-03
    10     -0.514929E+00     -0.102126E-04      0.636219E-03
    11     -0.556966E+00      0.123931E-03     -0.434738E-05
    12     -0.476150E+00      0.352635E-03      0.811070E-04
    13     -0.533523E+00     -0.495800E-03     -0.257623E-03
    14     -0.486261E+00     -0.215133E-03     -0.860623E-03
    15     -0.514909E+00      0.103843E-04      0.636211E-03
    16     -0.556941E+00     -0.124032E-03     -0.436585E-05
    17     -0.476245E+00     -0.352765E-03      0.811838E-04
    18     -0.533470E+00      0.495911E-03     -0.257145E-03
    19     -0.486263E+00      0.215550E-03     -0.860293E-03
    20     -0.514897E+00     -0.102098E-04      0.636122E-03
    21     -0.336531E+01     -0.184253E-01      0.200857E-01
    22     -0.339931E+01      0.229358E-01     -0.288625E-01
    23     -0.336510E+01      0.183943E-01      0.201286E-01
    24     -0.339929E+01     -0.229237E-01     -0.288757E-01
    25     -0.336523E+01     -0.184107E-01      0.200731E-01
    26     -0.339923E+01      0.229361E-01     -0.288503E-01
    27     -0.336525E+01      0.183981E-01      0.201437E-01
    28     -0.339934E+01     -0.229292E-01     -0.288730E-01
    29     -0.864842E+01      0.518296E-01     -0.137448E-01
    30     -0.908556E+01     -0.144604E+00     -0.135675E+00
    31     -0.898158E+01     -0.134061E+00     -0.574722E-02
    32     -0.857370E+01     -0.266196E+00     -0.314060E-01
    33     -0.877503E+01      0.318444E+00      0.196025E+00
    34     -0.911164E+01     -0.372275E-01     -0.239292E+00
    35     -0.874479E+01     -0.120669E+00     -0.139390E+00
    36     -0.876683E+01      0.170946E+00      0.359596E-01
    37     -0.889531E+01     -0.124444E+00      0.146923E+00
    38     -0.864838E+01     -0.520009E-01     -0.137545E-01
    39     -0.908579E+01      0.144615E+00     -0.135562E+00
    40     -0.898180E+01      0.134305E+00     -0.574456E-02
    41     -0.857373E+01      0.266662E+00     -0.312322E-01
    42     -0.877352E+01     -0.318586E+00      0.195710E+00
    43     -0.911149E+01      0.369980E-01     -0.239081E+00
    44     -0.874443E+01      0.120613E+00     -0.139398E+00
    45     -0.876685E+01     -0.170920E+00      0.359445E-01
    46     -0.889554E+01      0.124546E+00      0.146848E+00
    47     -0.864844E+01      0.518735E-01     -0.137279E-01
    48     -0.908559E+01     -0.144547E+00     -0.135763E+00
    49     -0.898150E+01     -0.133996E+00     -0.573941E-02
    50     -0.857372E+01     -0.266295E+00     -0.315911E-01
    51     -0.877469E+01      0.318430E+00      0.196131E+00
    52     -0.911155E+01     -0.373235E-01     -0.239310E+00
    53     -0.874457E+01     -0.120626E+00     -0.139365E+00
    54     -0.876664E+01      0.170885E+00      0.358757E-01
    55     -0.889526E+01     -0.124459E+00      0.146893E+00
    56     -0.864829E+01     -0.519485E-01     -0.137859E-01
    57     -0.908564E+01      0.144603E+00     -0.135569E+00
    58     -0.898171E+01      0.134265E+00     -0.576570E-02
    59     -0.857415E+01      0.266723E+00     -0.312601E-01
    60     -0.877361E+01     -0.318477E+00      0.195734E+00
    61     -0.911150E+01      0.370477E-01     -0.239134E+00
    62     -0.874456E+01      0.120659E+00     -0.139326E+00
    63     -0.876689E+01     -0.170881E+00      0.358540E-01
    64     -0.889558E+01      0.124477E+00      0.146801E+00
    65     -0.168201E+03      0.208890E-01     -0.194549E-02
    66     -0.168063E+03     -0.207361E-01     -0.504618E-01
    67     -0.168201E+03     -0.206902E-01     -0.191784E-02
    68     -0.168063E+03      0.206771E-01     -0.504312E-01
    69     -0.168201E+03      0.209257E-01     -0.188561E-02
    70     -0.168063E+03     -0.207443E-01     -0.503681E-01
    71     -0.168200E+03     -0.208188E-01     -0.196110E-02
    72     -0.168063E+03      0.206956E-01     -0.504189E-01
    73     -0.168186E+03      0.130753E-01      0.132707E-01
    74     -0.168186E+03     -0.131680E-01      0.133857E-01
 -------------------------------------------------------------
 
 
 KPOINTS: CaAl4Si2O12H2                           

Automatic generation of k-mesh.
 generate k-points for:    6    7    8
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    170 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.166667  0.000000 -0.000000      2.000000
  0.333333  0.000000 -0.000000      2.000000
  0.500000  0.000000 -0.000000      1.000000
  0.000000  0.142857 -0.000000      2.000000
  0.166667  0.142857 -0.000000      2.000000
  0.333333  0.142857 -0.000000      2.000000
  0.500000  0.142857 -0.000000      2.000000
 -0.333333  0.142857  0.000000      2.000000
 -0.166667  0.142857  0.000000      2.000000
  0.000000  0.285714 -0.000000      2.000000
  0.166667  0.285714 -0.000000      2.000000
  0.333333  0.285714 -0.000000      2.000000
  0.500000  0.285714 -0.000000      2.000000
 -0.333333  0.285714  0.000000      2.000000
 -0.166667  0.285714  0.000000      2.000000
  0.000000  0.428571 -0.000000      2.000000
  0.166667  0.428571 -0.000000      2.000000
  0.333333  0.428571 -0.000000      2.000000
  0.500000  0.428571 -0.000000      2.000000
 -0.333333  0.428571  0.000000      2.000000
 -0.166667  0.428571  0.000000      2.000000
 -0.000000  0.000000  0.125000      2.000000
  0.166667  0.000000  0.125000      2.000000
  0.333333  0.000000  0.125000      2.000000
  0.500000  0.000000  0.125000      2.000000
 -0.333333  0.000000  0.125000      2.000000
 -0.166667  0.000000  0.125000      2.000000
 -0.000000  0.142857  0.125000      2.000000
  0.166667  0.142857  0.125000      2.000000
  0.333333  0.142857  0.125000      2.000000
  0.500000  0.142857  0.125000      2.000000
 -0.333333  0.142857  0.125000      2.000000
 -0.166667  0.142857  0.125000      2.000000
 -0.000000  0.285714  0.125000      2.000000
  0.166667  0.285714  0.125000      2.000000
  0.333333  0.285714  0.125000      2.000000
  0.500000  0.285714  0.125000      2.000000
 -0.333333  0.285714  0.125000      2.000000
 -0.166667  0.285714  0.125000      2.000000
  0.000000  0.428571  0.125000      2.000000
  0.166667  0.428571  0.125000      2.000000
  0.333333  0.428571  0.125000      2.000000
  0.500000  0.428571  0.125000      2.000000
 -0.333333  0.428571  0.125000      2.000000
 -0.166667  0.428571  0.125000      2.000000
 -0.000000 -0.428571  0.125000      2.000000
  0.166667 -0.428571  0.125000      2.000000
  0.333333 -0.428571  0.125000      2.000000
  0.500000 -0.428571  0.125000      2.000000
 -0.333333 -0.428571  0.125000      2.000000
 -0.166667 -0.428571  0.125000      2.000000
 -0.000000 -0.285714  0.125000      2.000000
  0.166667 -0.285714  0.125000      2.000000
  0.333333 -0.285714  0.125000      2.000000
  0.500000 -0.285714  0.125000      2.000000
 -0.333333 -0.285714  0.125000      2.000000
 -0.166667 -0.285714  0.125000      2.000000
  0.000000 -0.142857  0.125000      2.000000
  0.166667 -0.142857  0.125000      2.000000
  0.333333 -0.142857  0.125000      2.000000
  0.500000 -0.142857  0.125000      2.000000
 -0.333333 -0.142857  0.125000      2.000000
 -0.166667 -0.142857  0.125000      2.000000
 -0.000000  0.000000  0.250000      2.000000
  0.166667  0.000000  0.250000      2.000000
  0.333333  0.000000  0.250000      2.000000
  0.500000  0.000000  0.250000      2.000000
 -0.333333  0.000000  0.250000      2.000000
 -0.166667  0.000000  0.250000      2.000000
 -0.000000  0.142857  0.250000      2.000000
  0.166667  0.142857  0.250000      2.000000
  0.333333  0.142857  0.250000      2.000000
  0.500000  0.142857  0.250000      2.000000
 -0.333333  0.142857  0.250000      2.000000
 -0.166667  0.142857  0.250000      2.000000
  0.000000  0.285714  0.250000      2.000000
  0.166667  0.285714  0.250000      2.000000
  0.333333  0.285714  0.250000      2.000000
  0.500000  0.285714  0.250000      2.000000
 -0.333333  0.285714  0.250000      2.000000
 -0.166667  0.285714  0.250000      2.000000
  0.000000  0.428571  0.250000      2.000000
  0.166667  0.428571  0.250000      2.000000
  0.333333  0.428571  0.250000      2.000000
  0.500000  0.428571  0.250000      2.000000
 -0.333333  0.428571  0.250000      2.000000
 -0.166667  0.428571  0.250000      2.000000
 -0.000000 -0.428571  0.250000      2.000000
  0.166667 -0.428571  0.250000      2.000000
  0.333333 -0.428571  0.250000      2.000000
  0.500000 -0.428571  0.250000      2.000000
 -0.333333 -0.428571  0.250000      2.000000
 -0.166667 -0.428571  0.250000      2.000000
 -0.000000 -0.285714  0.250000      2.000000
  0.166667 -0.285714  0.250000      2.000000
  0.333333 -0.285714  0.250000      2.000000
  0.500000 -0.285714  0.250000      2.000000
 -0.333333 -0.285714  0.250000      2.000000
 -0.166667 -0.285714  0.250000      2.000000
 -0.000000 -0.142857  0.250000      2.000000
  0.166667 -0.142857  0.250000      2.000000
  0.333333 -0.142857  0.250000      2.000000
  0.500000 -0.142857  0.250000      2.000000
 -0.333333 -0.142857  0.250000      2.000000
 -0.166667 -0.142857  0.250000      2.000000
 -0.000000 -0.000000  0.375000      2.000000
  0.166667  0.000000  0.375000      2.000000
  0.333333  0.000000  0.375000      2.000000
  0.500000  0.000000  0.375000      2.000000
 -0.333333  0.000000  0.375000      2.000000
 -0.166667  0.000000  0.375000      2.000000
 -0.000000  0.142857  0.375000      2.000000
  0.166667  0.142857  0.375000      2.000000
  0.333333  0.142857  0.375000      2.000000
  0.500000  0.142857  0.375000      2.000000
 -0.333333  0.142857  0.375000      2.000000
 -0.166667  0.142857  0.375000      2.000000
 -0.000000  0.285714  0.375000      2.000000
  0.166667  0.285714  0.375000      2.000000
  0.333333  0.285714  0.375000      2.000000
  0.500000  0.285714  0.375000      2.000000
 -0.333333  0.285714  0.375000      2.000000
 -0.166667  0.285714  0.375000      2.000000
  0.000000  0.428571  0.375000      2.000000
  0.166667  0.428571  0.375000      2.000000
  0.333333  0.428571  0.375000      2.000000
  0.500000  0.428571  0.375000      2.000000
 -0.333333  0.428571  0.375000      2.000000
 -0.166667  0.428571  0.375000      2.000000
 -0.000000 -0.428571  0.375000      2.000000
  0.166667 -0.428571  0.375000      2.000000
  0.333333 -0.428571  0.375000      2.000000
  0.500000 -0.428571  0.375000      2.000000
 -0.333333 -0.428571  0.375000      2.000000
 -0.166667 -0.428571  0.375000      2.000000
 -0.000000 -0.285714  0.375000      2.000000
  0.166667 -0.285714  0.375000      2.000000
  0.333333 -0.285714  0.375000      2.000000
  0.500000 -0.285714  0.375000      2.000000
 -0.333333 -0.285714  0.375000      2.000000
 -0.166667 -0.285714  0.375000      2.000000
 -0.000000 -0.142857  0.375000      2.000000
  0.166667 -0.142857  0.375000      2.000000
  0.333333 -0.142857  0.375000      2.000000
  0.500000 -0.142857  0.375000      2.000000
 -0.333333 -0.142857  0.375000      2.000000
 -0.166667 -0.142857  0.375000      2.000000
 -0.000000  0.000000  0.500000      1.000000
  0.166667  0.000000  0.500000      2.000000
  0.333333  0.000000  0.500000      2.000000
  0.500000  0.000000  0.500000      1.000000
 -0.000000  0.142857  0.500000      2.000000
  0.166667  0.142857  0.500000      2.000000
  0.333333  0.142857  0.500000      2.000000
  0.500000  0.142857  0.500000      2.000000
 -0.333333  0.142857  0.500000      2.000000
 -0.166667  0.142857  0.500000      2.000000
 -0.000000  0.285714  0.500000      2.000000
  0.166667  0.285714  0.500000      2.000000
  0.333333  0.285714  0.500000      2.000000
  0.500000  0.285714  0.500000      2.000000
 -0.333333  0.285714  0.500000      2.000000
 -0.166667  0.285714  0.500000      2.000000
 -0.000000  0.428571  0.500000      2.000000
  0.166667  0.428571  0.500000      2.000000
  0.333333  0.428571  0.500000      2.000000
  0.500000  0.428571  0.500000      2.000000
 -0.333333  0.428571  0.500000      2.000000
 -0.166667  0.428571  0.500000      2.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.016392  0.000000  0.007447      2.000000
  0.032784  0.000000  0.014895      2.000000
  0.049175  0.000000  0.022342      1.000000
  0.000000  0.015527 -0.000001      2.000000
  0.016392  0.015527  0.007447      2.000000
  0.032784  0.015527  0.014894      2.000000
  0.049176  0.015527  0.022341      2.000000
 -0.032783  0.015527 -0.014895      2.000000
 -0.016391  0.015527 -0.007448      2.000000
  0.000001  0.031054 -0.000001      2.000000
  0.016392  0.031054  0.007446      2.000000
  0.032784  0.031054  0.014893      2.000000
  0.049176  0.031055  0.022341      2.000000
 -0.032783  0.031054 -0.014896      2.000000
 -0.016391  0.031054 -0.007449      2.000000
  0.000001  0.046582 -0.000002      2.000000
  0.016393  0.046582  0.007445      2.000000
  0.032784  0.046582  0.014893      2.000000
  0.049176  0.046582  0.022340      2.000000
 -0.032783  0.046582 -0.014897      2.000000
 -0.016391  0.046582 -0.007449      2.000000
  0.000005 -0.000001  0.016272      2.000000
  0.016396 -0.000001  0.023720      2.000000
  0.032788 -0.000001  0.031167      2.000000
  0.049180 -0.000001  0.038615      2.000000
 -0.032779 -0.000001  0.001378      2.000000
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  0.000005  0.015527  0.016272      2.000000
  0.016397  0.015527  0.023719      2.000000
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 -0.032779  0.015526  0.001377      2.000000
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  0.000005  0.031054  0.016271      2.000000
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 -0.032778  0.031054  0.001377      2.000000
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 -0.016379 -0.046584  0.041372      2.000000
  0.000013 -0.031056  0.048819      2.000000
  0.016405 -0.031056  0.056266      2.000000
  0.032797 -0.031056  0.063713      2.000000
  0.049189 -0.031056  0.071161      2.000000
 -0.032770 -0.031056  0.033924      2.000000
 -0.016379 -0.031056  0.041371      2.000000
  0.000014 -0.015529  0.048818      2.000000
  0.016405 -0.015529  0.056265      2.000000
  0.032797 -0.015529  0.063713      2.000000
  0.049189 -0.015529  0.071160      2.000000
 -0.032770 -0.015529  0.033923      2.000000
 -0.016378 -0.015529  0.041371      2.000000
  0.000018 -0.000003  0.065090      1.000000
  0.016410 -0.000003  0.072537      2.000000
  0.032802 -0.000003  0.079985      2.000000
  0.049194 -0.000003  0.087432      1.000000
  0.000019  0.015524  0.065089      2.000000
  0.016411  0.015525  0.072537      2.000000
  0.032802  0.015525  0.079984      2.000000
  0.049194  0.015525  0.087431      2.000000
 -0.032765  0.015524  0.050195      2.000000
 -0.016373  0.015524  0.057642      2.000000
  0.000019  0.031052  0.065089      2.000000
  0.016411  0.031052  0.072536      2.000000
  0.032803  0.031052  0.079983      2.000000
  0.049194  0.031052  0.087431      2.000000
 -0.032764  0.031052  0.050194      2.000000
 -0.016373  0.031052  0.057641      2.000000
  0.000019  0.046579  0.065088      2.000000
  0.016411  0.046579  0.072535      2.000000
  0.032803  0.046579  0.079983      2.000000
  0.049195  0.046579  0.087430      2.000000
 -0.032764  0.046579  0.050193      2.000000
 -0.016372  0.046579  0.057641      2.000000
 
 TETIRR: Found   1008 inequivalent tetrahedra from     2016


----------------------------------------- Iteration    3(   1)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  315.0477: real time  315.2673

  free energy    TOTEN  =     -1152.93119541 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   2)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  274.9292: real time  275.0473

  free energy    TOTEN  =     -1220.22735418 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   3)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  287.5100: real time  287.6356

  free energy    TOTEN  =     -1224.06329329 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   4)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  287.4180: real time  287.5394

  free energy    TOTEN  =     -1224.23900637 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   5)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  287.3260: real time  287.4511

  free energy    TOTEN  =     -1224.24806849 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   6)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  285.8219: real time  285.9467

  free energy    TOTEN  =     -1224.24867309 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   7)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  286.2979: real time  286.4246

  free energy    TOTEN  =     -1224.24871975 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   8)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  285.1658: real time  285.2871

  free energy    TOTEN  =     -1224.24872327 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   9)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  282.6737: real time  282.7937

  free energy    TOTEN  =     -1224.24872363 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  10)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  242.3151: real time  242.4209

  free energy    TOTEN  =     -1224.24872366 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  11)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  225.3301: real time  225.4303

  free energy    TOTEN  =     -1224.24872366 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  12)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  216.8936: real time  216.9893

  free energy    TOTEN  =     -1224.24872366 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  13)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  214.1854: real time  214.2788

  free energy    TOTEN  =     -1224.24872366 eV
  ---------------------------------------------------


------------------------ aborting loop because EDIFF is reached ----------------------------------------




----------------------------------------- Iteration    3(   1)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  310.9754: real time  311.2042

  free energy    TOTEN  =     -1152.95156916 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   2)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  275.0092: real time  275.1305

  free energy    TOTEN  =     -1220.26259778 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   3)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  287.3620: real time  287.4829

  free energy    TOTEN  =     -1224.10025316 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   4)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  285.9379: real time  286.0629

  free energy    TOTEN  =     -1224.27606161 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   5)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  289.5181: real time  289.6447

  free energy    TOTEN  =     -1224.28513619 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   6)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  285.6659: real time  285.7888

  free energy    TOTEN  =     -1224.28574158 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   7)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  286.1659: real time  286.2909

  free energy    TOTEN  =     -1224.28578839 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   8)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  284.8938: real time  285.0168

  free energy    TOTEN  =     -1224.28579192 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   9)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  282.7857: real time  282.9062

  free energy    TOTEN  =     -1224.28579228 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  10)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  242.0631: real time  242.1665

  free energy    TOTEN  =     -1224.28579231 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  11)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  225.3861: real time  225.4820

  free energy    TOTEN  =     -1224.28579231 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  12)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  216.9936: real time  217.0873

  free energy    TOTEN  =     -1224.28579231 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  13)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  214.4454: real time  214.5378

  free energy    TOTEN  =     -1224.28579231 eV
  ---------------------------------------------------


------------------------ aborting loop because EDIFF is reached ----------------------------------------




----------------------------------------- Iteration    3(   1)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  312.0795: real time  312.2991

  free energy    TOTEN  =     -1152.96779606 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   2)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  274.9892: real time  275.1074

  free energy    TOTEN  =     -1220.29006699 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   3)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  287.2019: real time  287.3231

  free energy    TOTEN  =     -1224.13041692 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   4)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  286.1059: real time  286.2265

  free energy    TOTEN  =     -1224.30641463 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   5)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  287.2660: real time  287.3874

  free energy    TOTEN  =     -1224.31550721 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   6)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  285.7179: real time  285.8413

  free energy    TOTEN  =     -1224.31611434 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   7)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  286.0379: real time  286.1613

  free energy    TOTEN  =     -1224.31616133 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   8)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  284.7218: real time  284.8448

  free energy    TOTEN  =     -1224.31616488 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(   9)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  284.9058: real time  285.0310

  free energy    TOTEN  =     -1224.31616524 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  10)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  241.9391: real time  242.0449

  free energy    TOTEN  =     -1224.31616527 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  11)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  225.6661: real time  225.7661

  free energy    TOTEN  =     -1224.31616527 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  12)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  217.0616: real time  217.1527

  free energy    TOTEN  =     -1224.31616527 eV
  ---------------------------------------------------


----------------------------------------- Iteration    3(  13)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  214.4494: real time  214.5409

  free energy    TOTEN  =     -1224.31616527 eV
  ---------------------------------------------------


------------------------ aborting loop because EDIFF is reached ----------------------------------------




----------------------------------------- Iteration    1(   1)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  313.1836: real time  313.4430

  free energy    TOTEN  =     -1153.80901643 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   2)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  281.0296: real time  281.1500

  free energy    TOTEN  =     -1220.15766961 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   3)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  380.1638: real time  380.3258

  free energy    TOTEN  =     -1223.94538771 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   4)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  378.2116: real time  378.3716

  free energy    TOTEN  =     -1224.11474126 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   5)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  380.7518: real time  380.9123

  free energy    TOTEN  =     -1224.12324954 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   6)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  378.0276: real time  378.1876

  free energy    TOTEN  =     -1224.12381123 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   7)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  379.8317: real time  379.9919

  free energy    TOTEN  =     -1224.12385354 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   8)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  377.7716: real time  377.9338

  free energy    TOTEN  =     -1224.12385680 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   9)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  375.6155: real time  375.7762

  free energy    TOTEN  =     -1224.12385712 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  10)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  340.6693: real time  340.8146

  free energy    TOTEN  =     -1224.12385715 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  11)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  230.0384: real time  230.1397

  free energy    TOTEN  =     -1224.12385715 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  12)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  311.0634: real time  311.1984

  free energy    TOTEN  =     -1224.12385715 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  13)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  307.6192: real time  307.7537

  free energy    TOTEN  =     -1224.12385715 eV
  ---------------------------------------------------


------------------------ aborting loop because EDIFF is reached ----------------------------------------




----------------------------------------- Iteration    1(   1)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  313.6396: real time  313.8924

  free energy    TOTEN  =     -1153.80346002 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   2)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  281.4496: real time  281.5710

  free energy    TOTEN  =     -1220.14548163 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   3)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  381.3598: real time  381.5248

  free energy    TOTEN  =     -1223.93168786 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   4)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  383.2520: real time  383.4144

  free energy    TOTEN  =     -1224.10089438 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   5)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  404.4573: real time  404.6297

  free energy    TOTEN  =     -1224.10938464 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   6)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  397.2088: real time  397.3811

  free energy    TOTEN  =     -1224.10994434 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   7)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  380.7278: real time  380.8877

  free energy    TOTEN  =     -1224.10998637 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   8)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  378.3436: real time  378.5041

  free energy    TOTEN  =     -1224.10998960 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   9)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  377.7996: real time  377.9606

  free energy    TOTEN  =     -1224.10998992 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  10)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  345.6456: real time  345.7950

  free energy    TOTEN  =     -1224.10998995 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  11)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  331.5127: real time  331.6521

  free energy    TOTEN  =     -1224.10998995 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  12)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  311.4755: real time  311.6078

  free energy    TOTEN  =     -1224.10998995 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  13)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  313.2916: real time  313.4239

  free energy    TOTEN  =     -1224.10998995 eV
  ---------------------------------------------------


------------------------ aborting loop because EDIFF is reached ----------------------------------------




----------------------------------------- Iteration    1(   1)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  312.9396: real time  313.1608

  free energy    TOTEN  =     -1153.79170029 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   2)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  281.2136: real time  281.3361

  free energy    TOTEN  =     -1220.12493338 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   3)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  287.4180: real time  287.5421

  free energy    TOTEN  =     -1223.91114055 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   4)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  286.0859: real time  286.2131

  free energy    TOTEN  =     -1224.08034431 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   5)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  288.6340: real time  288.7600

  free energy    TOTEN  =     -1224.08881710 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   6)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  285.1658: real time  285.2920

  free energy    TOTEN  =     -1224.08937489 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   7)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  287.7940: real time  287.9220

  free energy    TOTEN  =     -1224.08941665 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   8)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  284.9018: real time  285.0257

  free energy    TOTEN  =     -1224.08941985 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   9)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  283.3337: real time  283.4575

  free energy    TOTEN  =     -1224.08942017 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  10)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  247.5395: real time  247.6472

  free energy    TOTEN  =     -1224.08942020 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  11)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  230.1624: real time  230.2609

  free energy    TOTEN  =     -1224.08942020 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  12)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  217.1336: real time  217.2258

  free energy    TOTEN  =     -1224.08942020 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  13)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  214.5894: real time  214.6811

  free energy    TOTEN  =     -1224.08942020 eV
  ---------------------------------------------------


------------------------ aborting loop because EDIFF is reached ----------------------------------------




----------------------------------------- Iteration (   1)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  248.1755: real time  248.4454

  free energy    TOTEN  =        -6.98606663 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   2)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  277.4693: real time  277.5903

  free energy    TOTEN  =        -7.69819681 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   3)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  285.5898: real time  285.7118

  free energy    TOTEN  =        -7.73012873 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   4)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  287.7220: real time  287.8469

  free energy    TOTEN  =        -7.73134136 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   5)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  286.2579: real time  286.3818

  free energy    TOTEN  =        -7.73143362 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   6)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  286.9419: real time  287.0646

  free energy    TOTEN  =        -7.73143820 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   7)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  282.6137: real time  282.7354

  free energy    TOTEN  =        -7.73143853 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   8)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  257.4561: real time  257.5644

  free energy    TOTEN  =        -7.73143855 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   9)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  247.6795: real time  247.7848

  free energy    TOTEN  =        -7.73143855 eV
  ---------------------------------------------------


----------------------------------------- Iteration (  10)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  229.3903: real time  229.4887

  free energy    TOTEN  =        -7.73143855 eV
  ---------------------------------------------------


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 
 -------------------------------------------------------------
  EXTERNAL FIELD APPLIED IN DIRECTION           2
 -------------------------------------------------------------
                        MAGNETIC FIELD (mu_B/Angstrom3/1e6)
  ATOM                 X                 Y                 Z
 -------------------------------------------------------------
     1      0.749816E+00     -0.328132E+02      0.544445E+00
     2      0.644200E+01     -0.531207E+01      0.986020E+00
     3     -0.612225E+01     -0.251970E+02     -0.452028E+01
     4     -0.590433E+01     -0.558918E+01     -0.478730E+01
     5     -0.158363E+01     -0.830517E+01      0.118385E+01
     6     -0.752929E+00     -0.328119E+02     -0.544686E+00
     7     -0.644001E+01     -0.533388E+01     -0.985904E+00
     8      0.612257E+01     -0.252013E+02      0.451738E+01
     9      0.591194E+01     -0.560404E+01      0.479827E+01
    10      0.158727E+01     -0.830406E+01     -0.119142E+01
    11      0.750779E+00     -0.328142E+02      0.541108E+00
    12      0.644518E+01     -0.530975E+01      0.985411E+00
    13     -0.612179E+01     -0.251944E+02     -0.452140E+01
    14     -0.590177E+01     -0.558940E+01     -0.478290E+01
    15     -0.158396E+01     -0.830578E+01      0.118432E+01
    16     -0.751250E+00     -0.328118E+02     -0.542677E+00
    17     -0.644376E+01     -0.533142E+01     -0.985532E+00
    18      0.612347E+01     -0.252037E+02      0.451562E+01
    19      0.591110E+01     -0.560257E+01      0.479524E+01
    20      0.158788E+01     -0.830486E+01     -0.119195E+01
    21     -0.125528E+02      0.197911E+03      0.229806E+02
    22      0.155909E+02      0.214540E+03      0.895747E+01
    23      0.125282E+02      0.198027E+03     -0.229411E+02
    24     -0.155905E+02      0.214557E+03     -0.895329E+01
    25     -0.125492E+02      0.197914E+03      0.229811E+02
    26      0.155984E+02      0.214548E+03      0.895016E+01
    27      0.125389E+02      0.198017E+03     -0.229376E+02
    28     -0.155908E+02      0.214554E+03     -0.895806E+01
    29     -0.438104E+00     -0.597666E+01     -0.145008E+01
    30     -0.100446E+01      0.295058E+02     -0.494820E+01
    31     -0.861013E+01      0.316850E+02     -0.959800E+01
    32     -0.751358E+02      0.187053E+03      0.370392E+02
    33      0.136873E+02      0.183804E+03      0.760357E+02
    34     -0.277705E+02      0.236266E+03      0.736153E+02
    35      0.244420E+02      0.179675E+03      0.153307E+02
    36      0.738354E+02      0.247034E+03     -0.209580E+02
    37      0.324081E+02      0.253081E+03      0.704487E+02
    38      0.440204E+00     -0.597832E+01      0.143425E+01
    39      0.102359E+01      0.294681E+02      0.497283E+01
    40      0.860492E+01      0.316520E+02      0.962512E+01
    41      0.751783E+02      0.187321E+03     -0.369758E+02
    42     -0.137872E+02      0.184066E+03     -0.760032E+02
    43      0.276503E+02      0.236726E+03     -0.735126E+02
    44     -0.244217E+02      0.179641E+03     -0.153249E+02
    45     -0.738285E+02      0.247086E+03      0.209452E+02
    46     -0.324004E+02      0.253099E+03     -0.704282E+02
    47     -0.442356E+00     -0.598095E+01     -0.145695E+01
    48     -0.100263E+01      0.295189E+02     -0.495148E+01
    49     -0.861080E+01      0.316836E+02     -0.959518E+01
    50     -0.751386E+02      0.187036E+03      0.370706E+02
    51      0.137226E+02      0.183856E+03      0.760516E+02
    52     -0.277269E+02      0.236307E+03      0.736330E+02
    53      0.244562E+02      0.179674E+03      0.153182E+02
    54      0.738320E+02      0.247081E+03     -0.209553E+02
    55      0.324327E+02      0.253095E+03      0.704586E+02
    56      0.447648E+00     -0.598116E+01      0.143303E+01
    57      0.102181E+01      0.294827E+02      0.496528E+01
    58      0.860418E+01      0.316725E+02      0.961842E+01
    59      0.751711E+02      0.187268E+03     -0.369709E+02
    60     -0.137764E+02      0.184037E+03     -0.759799E+02
    61      0.276354E+02      0.236667E+03     -0.735181E+02
    62     -0.244142E+02      0.179601E+03     -0.153139E+02
    63     -0.738268E+02      0.247065E+03      0.209575E+02
    64     -0.324298E+02      0.253109E+03     -0.704096E+02
    65     -0.361901E+01     -0.139273E+03     -0.611927E+01
    66      0.626055E+01     -0.140397E+03     -0.400186E+01
    67      0.360355E+01     -0.139277E+03      0.610983E+01
    68     -0.625400E+01     -0.140408E+03      0.400831E+01
    69     -0.362186E+01     -0.139264E+03     -0.611903E+01
    70      0.625799E+01     -0.140408E+03     -0.399975E+01
    71      0.361753E+01     -0.139269E+03      0.609673E+01
    72     -0.625501E+01     -0.140421E+03      0.400279E+01
    73      0.527357E+01     -0.132211E+03      0.291330E+01
    74     -0.527095E+01     -0.132195E+03     -0.292773E+01
 
 -------------------------------------------------------------
   plane wave contribution
 -------------------------------------------------------------
     1      0.752438E+00     -0.322529E+02      0.545569E+00
     2      0.645133E+01     -0.478576E+01      0.985717E+00
     3     -0.613402E+01     -0.246468E+02     -0.453086E+01
     4     -0.591075E+01     -0.505225E+01     -0.479542E+01
     5     -0.158379E+01     -0.774561E+01      0.118568E+01
     6     -0.755558E+00     -0.322517E+02     -0.545811E+00
     7     -0.644935E+01     -0.480749E+01     -0.985597E+00
     8      0.613434E+01     -0.246511E+02      0.452796E+01
     9      0.591838E+01     -0.506703E+01      0.480641E+01
    10      0.158744E+01     -0.774449E+01     -0.119327E+01
    11      0.753403E+00     -0.322539E+02      0.542226E+00
    12      0.645452E+01     -0.478349E+01      0.985109E+00
    13     -0.613356E+01     -0.246441E+02     -0.453199E+01
    14     -0.590819E+01     -0.505245E+01     -0.479101E+01
    15     -0.158412E+01     -0.774624E+01      0.118616E+01
    16     -0.753876E+00     -0.322516E+02     -0.543799E+00
    17     -0.645310E+01     -0.480509E+01     -0.985225E+00
    18      0.613524E+01     -0.246536E+02      0.452620E+01
    19      0.591753E+01     -0.506565E+01      0.480338E+01
    20      0.158804E+01     -0.774533E+01     -0.119379E+01
    21     -0.668754E+01      0.113460E+03      0.120321E+02
    22      0.790846E+01      0.123488E+03      0.472563E+01
    23      0.667433E+01      0.113526E+03     -0.120107E+02
    24     -0.790866E+01      0.123498E+03     -0.472283E+01
    25     -0.668631E+01      0.113462E+03      0.120320E+02
    26      0.791295E+01      0.123493E+03      0.472131E+01
    27      0.668064E+01      0.113519E+03     -0.120082E+02
    28     -0.790861E+01      0.123496E+03     -0.472593E+01
    29     -0.541101E+00     -0.701264E+02     -0.823468E+00
    30      0.144627E+00     -0.563863E+02     -0.192418E+01
    31     -0.483264E+01     -0.548121E+02     -0.394466E+01
    32     -0.318813E+02      0.112238E+02      0.143069E+02
    33      0.690277E+01      0.977047E+01      0.313373E+02
    34     -0.114510E+02      0.321941E+02      0.304569E+02
    35      0.942831E+01      0.789824E+01      0.612687E+01
    36      0.312149E+02      0.376362E+02     -0.980058E+01
    37      0.130372E+02      0.402060E+02      0.303492E+02
    38      0.543014E+00     -0.701273E+02      0.815893E+00
    39     -0.136561E+00     -0.564030E+02      0.193397E+01
    40      0.483162E+01     -0.548273E+02      0.395624E+01
    41      0.319012E+02      0.113379E+02     -0.142802E+02
    42     -0.694523E+01      0.988026E+01     -0.313256E+02
    43      0.113997E+02      0.323903E+02     -0.304134E+02
    44     -0.941967E+01      0.788370E+01     -0.612416E+01
    45     -0.312121E+02      0.376586E+02      0.979551E+01
    46     -0.130342E+02      0.402132E+02     -0.303403E+02
    47     -0.543150E+00     -0.701285E+02     -0.826438E+00
    48      0.145162E+00     -0.563807E+02     -0.192583E+01
    49     -0.483301E+01     -0.548127E+02     -0.394341E+01
    50     -0.318829E+02      0.112164E+02      0.143203E+02
    51      0.691790E+01      0.979276E+01      0.313440E+02
    52     -0.114326E+02      0.322119E+02      0.304643E+02
    53      0.943448E+01      0.789783E+01      0.612155E+01
    54      0.312132E+02      0.376562E+02     -0.979949E+01
    55      0.130477E+02      0.402116E+02      0.303535E+02
    56      0.546310E+00     -0.701283E+02      0.815284E+00
    57     -0.137126E+00     -0.563966E+02      0.193079E+01
    58      0.483159E+01     -0.548179E+02      0.395314E+01
    59      0.318980E+02      0.113154E+02     -0.142778E+02
    60     -0.694073E+01      0.986776E+01     -0.313152E+02
    61      0.113930E+02      0.323648E+02     -0.304158E+02
    62     -0.941640E+01      0.786667E+01     -0.611981E+01
    63     -0.312114E+02      0.376497E+02      0.980079E+01
    64     -0.130467E+02      0.402173E+02     -0.303325E+02
    65     -0.890944E+00     -0.105104E+03     -0.108766E+01
    66      0.125706E+01     -0.105627E+03     -0.694679E+00
    67      0.888590E+00     -0.105104E+03      0.108574E+01
    68     -0.125633E+01     -0.105627E+03      0.694495E+00
    69     -0.891344E+00     -0.105104E+03     -0.108715E+01
    70      0.125756E+01     -0.105629E+03     -0.694705E+00
    71      0.890996E+00     -0.105102E+03      0.108449E+01
    72     -0.125676E+01     -0.105627E+03      0.693673E+00
    73      0.603940E+00     -0.102581E+03      0.127283E+00
    74     -0.600294E+00     -0.102579E+03     -0.136181E+00
 
 -------------------------------------------------------------
   one center paramagnetic contribution
 -------------------------------------------------------------
     1     -0.274598E-02     -0.208172E-02     -0.117511E-02
     2     -0.968775E-02     -0.517145E-01      0.274356E-03
     3      0.122682E-01     -0.160249E-01      0.110452E-01
     4      0.664177E-02     -0.512758E-01      0.839503E-02
     5      0.148545E-03     -0.448180E-01     -0.190844E-02
     6      0.275274E-02     -0.208304E-02      0.117642E-02
     7      0.968590E-02     -0.516846E-01     -0.279504E-03
     8     -0.122696E-01     -0.160109E-01     -0.110368E-01
     9     -0.665195E-02     -0.512662E-01     -0.841425E-02
    10     -0.155021E-03     -0.448253E-01      0.192511E-02
    11     -0.274763E-02     -0.208169E-02     -0.116923E-02
    12     -0.969263E-02     -0.517139E-01      0.274223E-03
    13      0.122677E-01     -0.160293E-01      0.110468E-01
    14      0.663610E-02     -0.512765E-01      0.838907E-02
    15      0.149450E-03     -0.448149E-01     -0.191018E-02
    16      0.274998E-02     -0.208210E-02      0.117263E-02
    17      0.969195E-02     -0.516808E-01     -0.279257E-03
    18     -0.122703E-01     -0.160058E-01     -0.110331E-01
    19     -0.664758E-02     -0.512544E-01     -0.840939E-02
    20     -0.154993E-03     -0.448167E-01      0.192442E-02
    21     -0.584680E+01      0.878193E+02      0.109125E+02
    22      0.765950E+01      0.943960E+02      0.422180E+01
    23      0.583551E+01      0.878690E+02     -0.108944E+02
    24     -0.765896E+01      0.944024E+02     -0.422043E+01
    25     -0.584447E+01      0.878203E+02      0.109131E+02
    26      0.766250E+01      0.943983E+02      0.421882E+01
    27      0.583983E+01      0.878654E+02     -0.108933E+02
    28     -0.765929E+01      0.944017E+02     -0.422210E+01
    29      0.511680E-01      0.734635E+02     -0.651939E+00
    30     -0.100449E+01      0.947990E+02     -0.280475E+01
    31     -0.364344E+01      0.950974E+02     -0.559681E+01
    32     -0.429882E+02      0.184705E+03      0.229549E+02
    33      0.646609E+01      0.182968E+03      0.446507E+02
    34     -0.162823E+02      0.212633E+03      0.430494E+02
    35      0.151344E+02      0.180964E+03      0.925746E+01
    36      0.424496E+02      0.218021E+03     -0.108408E+02
    37      0.194953E+02      0.221471E+03      0.397710E+02
    38     -0.508083E-01      0.734626E+02      0.643722E+00
    39      0.101553E+01      0.947781E+02      0.281970E+01
    40      0.363899E+01      0.950800E+02      0.561247E+01
    41      0.430105E+02      0.184859E+03     -0.229183E+02
    42     -0.652341E+01      0.183120E+03     -0.446299E+02
    43      0.162135E+02      0.212896E+03     -0.429905E+02
    44     -0.151227E+02      0.180945E+03     -0.925442E+01
    45     -0.424454E+02      0.218050E+03      0.108331E+02
    46     -0.194907E+02      0.221482E+03     -0.397592E+02
    47      0.489208E-01      0.734612E+02     -0.655726E+00
    48     -0.100325E+01      0.948064E+02     -0.280634E+01
    49     -0.364380E+01      0.950964E+02     -0.559536E+01
    50     -0.429894E+02      0.184695E+03      0.229727E+02
    51      0.648626E+01      0.182998E+03      0.446601E+02
    52     -0.162570E+02      0.212656E+03      0.430598E+02
    53      0.151423E+02      0.180963E+03      0.925048E+01
    54      0.424479E+02      0.218047E+03     -0.108392E+02
    55      0.195094E+02      0.221480E+03      0.397764E+02
    56     -0.467141E-01      0.734607E+02      0.643046E+00
    57      0.101433E+01      0.947862E+02      0.281540E+01
    58      0.363833E+01      0.950908E+02      0.560886E+01
    59      0.430063E+02      0.184828E+03     -0.229157E+02
    60     -0.651723E+01      0.183104E+03     -0.446171E+02
    61      0.162054E+02      0.212862E+03     -0.429936E+02
    62     -0.151185E+02      0.180921E+03     -0.924774E+01
    63     -0.424445E+02      0.218039E+03      0.108400E+02
    64     -0.195076E+02      0.221488E+03     -0.397485E+02
    65     -0.274895E+01      0.134002E+03     -0.505288E+01
    66      0.502423E+01      0.133309E+03     -0.333971E+01
    67      0.273565E+01      0.133997E+03      0.504529E+01
    68     -0.501835E+01      0.133297E+03      0.334642E+01
    69     -0.275144E+01      0.134010E+03     -0.505312E+01
    70      0.502117E+01      0.133299E+03     -0.333756E+01
    71      0.274735E+01      0.134004E+03      0.503336E+01
    72     -0.501895E+01      0.133285E+03      0.334166E+01
    73      0.465656E+01      0.138647E+03      0.277791E+01
    74     -0.465749E+01      0.138660E+03     -0.278376E+01
 
 -------------------------------------------------------------
   one center diamagnetic contribution
 -------------------------------------------------------------
     1      0.123883E-03     -0.558158E+00      0.511866E-04
     2      0.352509E-03     -0.474590E+00      0.277703E-04
     3     -0.495806E-03     -0.534231E+00     -0.461119E-03
     4     -0.215304E-03     -0.485646E+00     -0.272224E-03
     5      0.104409E-04     -0.514741E+00      0.760685E-04
     6     -0.124134E-03     -0.558160E+00     -0.512644E-04
     7     -0.352615E-03     -0.474703E+00     -0.277322E-04
     8      0.495871E-03     -0.534162E+00      0.460726E-03
     9      0.215714E-03     -0.485746E+00      0.272904E-03
    10     -0.102126E-04     -0.514750E+00     -0.767138E-04
    11      0.123931E-03     -0.558177E+00      0.509759E-04
    12      0.352635E-03     -0.474553E+00      0.277640E-04
    13     -0.495800E-03     -0.534225E+00     -0.461191E-03
    14     -0.215133E-03     -0.485666E+00     -0.272033E-03
    15      0.103843E-04     -0.514730E+00      0.761170E-04
    16     -0.124032E-03     -0.558151E+00     -0.511362E-04
    17     -0.352765E-03     -0.474648E+00     -0.277022E-04
    18      0.495911E-03     -0.534173E+00      0.460589E-03
    19      0.215550E-03     -0.485669E+00      0.272707E-03
    20     -0.102098E-04     -0.514718E+00     -0.766699E-04
    21     -0.184253E-01     -0.336819E+01      0.360158E-01
    22      0.229358E-01     -0.334324E+01      0.100404E-01
    23      0.183943E-01     -0.336781E+01     -0.359701E-01
    24     -0.229237E-01     -0.334323E+01     -0.100403E-01
    25     -0.184107E-01     -0.336811E+01      0.360228E-01
    26      0.229361E-01     -0.334316E+01      0.100380E-01
    27      0.183981E-01     -0.336795E+01     -0.359747E-01
    28     -0.229292E-01     -0.334328E+01     -0.100328E-01
    29      0.518296E-01     -0.931376E+01      0.253303E-01
    30     -0.144604E+00     -0.890688E+01     -0.219270E+00
    31     -0.134061E+00     -0.860026E+01     -0.565223E-01
    32     -0.266196E+00     -0.887592E+01     -0.222584E+00
    33      0.318444E+00     -0.893490E+01      0.477070E-01
    34     -0.372275E-01     -0.856130E+01      0.108961E+00
    35     -0.120669E+00     -0.918719E+01     -0.536321E-01
    36      0.170946E+00     -0.862306E+01     -0.316645E+00
    37     -0.124444E+00     -0.859633E+01      0.328569E+00
    38     -0.520009E-01     -0.931365E+01     -0.253640E-01
    39      0.144615E+00     -0.890700E+01      0.219159E+00
    40      0.134305E+00     -0.860067E+01      0.564161E-01
    41      0.266662E+00     -0.887566E+01      0.222679E+00
    42     -0.318586E+00     -0.893496E+01     -0.477040E-01
    43      0.369980E-01     -0.856034E+01     -0.108705E+00
    44      0.120613E+00     -0.918710E+01      0.536540E-01
    45     -0.170920E+00     -0.862312E+01      0.316633E+00
    46      0.124546E+00     -0.859646E+01     -0.328619E+00
    47      0.518735E-01     -0.931374E+01      0.252120E-01
    48     -0.144547E+00     -0.890682E+01     -0.219312E+00
    49     -0.133996E+00     -0.860015E+01     -0.564130E-01
    50     -0.266295E+00     -0.887579E+01     -0.222496E+00
    51      0.318430E+00     -0.893494E+01      0.475274E-01
    52     -0.373235E-01     -0.856109E+01      0.108925E+00
    53     -0.120626E+00     -0.918707E+01     -0.537861E-01
    54      0.170885E+00     -0.862292E+01     -0.316690E+00
    55     -0.124459E+00     -0.859642E+01      0.328644E+00
    56     -0.519485E-01     -0.931357E+01     -0.253046E-01
    57      0.144603E+00     -0.890700E+01      0.219089E+00
    58      0.134265E+00     -0.860041E+01      0.564198E-01
    59      0.266723E+00     -0.887568E+01      0.222647E+00
    60     -0.318477E+00     -0.893528E+01     -0.476458E-01
    61      0.370477E-01     -0.856048E+01     -0.108705E+00
    62      0.120659E+00     -0.918716E+01      0.536307E-01
    63     -0.170881E+00     -0.862326E+01      0.316720E+00
    64      0.124477E+00     -0.859657E+01     -0.328643E+00
    65      0.208890E-01     -0.168171E+03      0.212609E-01
    66     -0.207361E-01     -0.168079E+03      0.325293E-01
    67     -0.206902E-01     -0.168171E+03     -0.211981E-01
    68      0.206771E-01     -0.168078E+03     -0.326084E-01
    69      0.209257E-01     -0.168171E+03      0.212407E-01
    70     -0.207443E-01     -0.168078E+03      0.325150E-01
    71     -0.208188E-01     -0.168171E+03     -0.211160E-01
    72      0.206956E-01     -0.168079E+03     -0.325461E-01
    73      0.130753E-01     -0.168276E+03      0.811214E-02
    74     -0.131680E-01     -0.168277E+03     -0.778666E-02
 -------------------------------------------------------------
 
 
 KPOINTS: CaAl4Si2O12H2                           

Automatic generation of k-mesh.
 generate k-points for:    6    7    8
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    170 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.166667  0.000000 -0.000000      2.000000
  0.333333  0.000000 -0.000000      2.000000
  0.500000  0.000000 -0.000000      1.000000
  0.000000  0.142857 -0.000000      2.000000
  0.166667  0.142857 -0.000000      2.000000
  0.333333  0.142857 -0.000000      2.000000
  0.500000  0.142857 -0.000000      2.000000
 -0.333333  0.142857  0.000000      2.000000
 -0.166667  0.142857  0.000000      2.000000
  0.000000  0.285714 -0.000000      2.000000
  0.166667  0.285714 -0.000000      2.000000
  0.333333  0.285714 -0.000000      2.000000
  0.500000  0.285714 -0.000000      2.000000
 -0.333333  0.285714  0.000000      2.000000
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 Following cartesian coordinates:
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 -0.032764  0.046579  0.050193      2.000000
 -0.016372  0.046579  0.057641      2.000000
 
 TETIRR: Found   1008 inequivalent tetrahedra from     2016


----------------------------------------- Iteration    2(   1)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  329.3126: real time  329.5375

  free energy    TOTEN  =     -1151.59324788 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   2)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  302.9829: real time  303.1150

  free energy    TOTEN  =     -1220.58931909 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   3)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  306.1511: real time  306.2827

  free energy    TOTEN  =     -1224.34046693 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   4)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  304.7990: real time  304.9297

  free energy    TOTEN  =     -1224.52824996 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   5)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  306.1471: real time  306.2796

  free energy    TOTEN  =     -1224.53754944 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   6)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  315.8757: real time  316.0145

  free energy    TOTEN  =     -1224.53817251 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   7)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  315.8397: real time  315.9771

  free energy    TOTEN  =     -1224.53821403 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   8)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  303.6670: real time  303.8019

  free energy    TOTEN  =     -1224.53821685 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   9)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  305.7711: real time  305.9052

  free energy    TOTEN  =     -1224.53821711 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  10)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  256.2000: real time  256.3100

  free energy    TOTEN  =     -1224.53821713 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  11)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  229.5863: real time  229.6824

  free energy    TOTEN  =     -1224.53821713 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  12)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  216.5095: real time  216.6028

  free energy    TOTEN  =     -1224.53821713 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  13)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  213.1133: real time  213.2126

  free energy    TOTEN  =     -1224.53821713 eV
  ---------------------------------------------------


------------------------ aborting loop because EDIFF is reached ----------------------------------------




----------------------------------------- Iteration    2(   1)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  312.0195: real time  312.2382

  free energy    TOTEN  =     -1151.59587422 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   2)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  273.4011: real time  273.5206

  free energy    TOTEN  =     -1220.59426814 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   3)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  287.6060: real time  287.7439

  free energy    TOTEN  =     -1224.34401925 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   4)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  284.7578: real time  284.8825

  free energy    TOTEN  =     -1224.53183679 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   5)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  287.4420: real time  287.5660

  free energy    TOTEN  =     -1224.54114078 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   6)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  285.5178: real time  285.6406

  free energy    TOTEN  =     -1224.54176478 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   7)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  287.4740: real time  287.5970

  free energy    TOTEN  =     -1224.54180635 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   8)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  285.7739: real time  285.8964

  free energy    TOTEN  =     -1224.54180917 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   9)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  284.0618: real time  284.1849

  free energy    TOTEN  =     -1224.54180943 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  10)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  245.7634: real time  245.8672

  free energy    TOTEN  =     -1224.54180945 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  11)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  229.2063: real time  229.3044

  free energy    TOTEN  =     -1224.54180945 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  12)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  216.5695: real time  216.6643

  free energy    TOTEN  =     -1224.54180945 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  13)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  212.7733: real time  212.8629

  free energy    TOTEN  =     -1224.54180945 eV
  ---------------------------------------------------


------------------------ aborting loop because EDIFF is reached ----------------------------------------




----------------------------------------- Iteration    2(   1)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  313.1796: real time  313.3995

  free energy    TOTEN  =     -1151.59247518 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   2)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  275.9412: real time  276.0636

  free energy    TOTEN  =     -1220.59019304 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   3)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  289.1541: real time  289.2900

  free energy    TOTEN  =     -1224.34072516 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   4)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  287.0659: real time  287.1871

  free energy    TOTEN  =     -1224.52857670 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   5)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  289.1461: real time  289.2717

  free energy    TOTEN  =     -1224.53788278 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   6)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  286.3219: real time  286.4484

  free energy    TOTEN  =     -1224.53850697 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   7)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  289.0341: real time  289.1574

  free energy    TOTEN  =     -1224.53854857 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   8)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  286.3699: real time  286.4939

  free energy    TOTEN  =     -1224.53855139 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(   9)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  284.8298: real time  284.9560

  free energy    TOTEN  =     -1224.53855165 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  10)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  247.7915: real time  247.8953

  free energy    TOTEN  =     -1224.53855167 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  11)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  245.5513: real time  245.6570

  free energy    TOTEN  =     -1224.53855167 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  12)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  218.2176: real time  218.3129

  free energy    TOTEN  =     -1224.53855167 eV
  ---------------------------------------------------


----------------------------------------- Iteration    2(  13)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  213.8454: real time  213.9378

  free energy    TOTEN  =     -1224.53855167 eV
  ---------------------------------------------------


------------------------ aborting loop because EDIFF is reached ----------------------------------------




----------------------------------------- Iteration    1(   1)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  336.9131: real time  337.1635

  free energy    TOTEN  =     -1153.80191052 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   2)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  299.9427: real time  300.0716

  free energy    TOTEN  =     -1220.14160270 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   3)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  306.8192: real time  306.9534

  free energy    TOTEN  =     -1223.92867709 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   4)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  304.2550: real time  304.3856

  free energy    TOTEN  =     -1224.09792184 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   5)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  297.6026: real time  297.7314

  free energy    TOTEN  =     -1224.10641545 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   6)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  285.7059: real time  285.8302

  free energy    TOTEN  =     -1224.10697560 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   7)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  317.2958: real time  317.4354

  free energy    TOTEN  =     -1224.10701770 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   8)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  301.9629: real time  302.0937

  free energy    TOTEN  =     -1224.10702093 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   9)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  385.0041: real time  385.1753

  free energy    TOTEN  =     -1224.10702125 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  10)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  361.6106: real time  361.7784

  free energy    TOTEN  =     -1224.10702128 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  11)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  258.1161: real time  258.2349

  free energy    TOTEN  =     -1224.10702128 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  12)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  226.3341: real time  226.4381

  free energy    TOTEN  =     -1224.10702128 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  13)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  218.0256: real time  218.1190

  free energy    TOTEN  =     -1224.10702128 eV
  ---------------------------------------------------


------------------------ aborting loop because EDIFF is reached ----------------------------------------




----------------------------------------- Iteration    1(   1)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  326.4724: real time  326.7186

  free energy    TOTEN  =     -1153.80346002 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   2)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  289.6861: real time  289.8146

  free energy    TOTEN  =     -1220.14548162 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   3)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  296.5545: real time  296.6807

  free energy    TOTEN  =     -1223.93168785 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   4)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  293.7784: real time  293.9048

  free energy    TOTEN  =     -1224.10089437 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   5)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  297.8106: real time  297.9416

  free energy    TOTEN  =     -1224.10938464 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   6)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  296.4145: real time  296.5449

  free energy    TOTEN  =     -1224.10994434 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   7)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  299.8787: real time  300.0086

  free energy    TOTEN  =     -1224.10998637 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   8)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  295.6265: real time  295.7574

  free energy    TOTEN  =     -1224.10998960 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   9)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  292.0062: real time  292.1318

  free energy    TOTEN  =     -1224.10998992 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  10)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  257.0561: real time  257.1695

  free energy    TOTEN  =     -1224.10998994 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  11)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  239.8630: real time  239.9843

  free energy    TOTEN  =     -1224.10998995 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  12)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  227.4982: real time  227.5997

  free energy    TOTEN  =     -1224.10998995 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  13)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  224.2340: real time  224.3321

  free energy    TOTEN  =     -1224.10998995 eV
  ---------------------------------------------------


------------------------ aborting loop because EDIFF is reached ----------------------------------------




----------------------------------------- Iteration    1(   1)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  330.5407: real time  330.7698

  free energy    TOTEN  =     -1153.80204169 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   2)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  298.4987: real time  298.6263

  free energy    TOTEN  =     -1220.14038296 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   3)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  341.5053: real time  341.6534

  free energy    TOTEN  =     -1223.92790814 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   4)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  306.8832: real time  307.0163

  free energy    TOTEN  =     -1224.09702956 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   5)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  298.2146: real time  298.3424

  free energy    TOTEN  =     -1224.10551508 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   6)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  296.8666: real time  296.9932

  free energy    TOTEN  =     -1224.10607404 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   7)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  335.7170: real time  335.8597

  free energy    TOTEN  =     -1224.10611601 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   8)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  349.9859: real time  350.1353

  free energy    TOTEN  =     -1224.10611924 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(   9)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  323.7682: real time  323.9068

  free energy    TOTEN  =     -1224.10611955 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  10)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  275.6532: real time  275.7738

  free energy    TOTEN  =     -1224.10611958 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  11)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  258.1841: real time  258.2922

  free energy    TOTEN  =     -1224.10611958 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  12)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  246.5594: real time  246.6716

  free energy    TOTEN  =     -1224.10611958 eV
  ---------------------------------------------------


----------------------------------------- Iteration    1(  13)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  240.7070: real time  240.8119

  free energy    TOTEN  =     -1224.10611958 eV
  ---------------------------------------------------


------------------------ aborting loop because EDIFF is reached ----------------------------------------




----------------------------------------- Iteration (   1)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  274.1691: real time  274.4632

  free energy    TOTEN  =        -6.97813642 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   2)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  296.7185: real time  296.8465

  free energy    TOTEN  =        -7.68298642 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   3)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  299.9227: real time  300.0523

  free energy    TOTEN  =        -7.71409207 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   4)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  312.7515: real time  312.8841

  free energy    TOTEN  =        -7.71535316 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   5)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  286.0059: real time  286.1320

  free energy    TOTEN  =        -7.71543247 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   6)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  287.3980: real time  287.5217

  free energy    TOTEN  =        -7.71543659 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   7)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  281.7736: real time  281.8944

  free energy    TOTEN  =        -7.71543690 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   8)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  261.2483: real time  261.3612

  free energy    TOTEN  =        -7.71543692 eV
  ---------------------------------------------------


----------------------------------------- Iteration (   9)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  244.5313: real time  244.6547

  free energy    TOTEN  =        -7.71543692 eV
  ---------------------------------------------------


----------------------------------------- Iteration (  10)  ---------------------------------------


    --------------------------------------------
      LOOP:  cpu time  224.5180: real time  224.6159

  free energy    TOTEN  =        -7.71543692 eV
  ---------------------------------------------------


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 
 -------------------------------------------------------------
  EXTERNAL FIELD APPLIED IN DIRECTION           3
 -------------------------------------------------------------
                        MAGNETIC FIELD (mu_B/Angstrom3/1e6)
  ATOM                 X                 Y                 Z
 -------------------------------------------------------------
     1      0.137579E-01      0.636513E+00     -0.205124E+02
     2      0.161559E+01      0.963492E+00     -0.261393E+01
     3     -0.354802E+01     -0.461835E+01     -0.170740E+02
     4     -0.139250E+02     -0.377023E+01     -0.221825E+02
     5      0.878609E+01      0.137978E+01     -0.330654E+02
     6      0.141217E-01     -0.636334E+00     -0.205121E+02
     7      0.161595E+01     -0.964164E+00     -0.263212E+01
     8     -0.354307E+01      0.461612E+01     -0.170621E+02
     9     -0.139177E+02      0.377845E+01     -0.221885E+02
    10      0.878792E+01     -0.138680E+01     -0.330651E+02
    11      0.142385E-01      0.633681E+00     -0.205128E+02
    12      0.161590E+01      0.962964E+00     -0.261110E+01
    13     -0.354857E+01     -0.461936E+01     -0.170751E+02
    14     -0.139242E+02     -0.376629E+01     -0.221839E+02
    15      0.878728E+01      0.138038E+01     -0.330625E+02
    16      0.142811E-01     -0.634470E+00     -0.205121E+02
    17      0.161648E+01     -0.963688E+00     -0.262803E+01
    18     -0.354178E+01      0.461399E+01     -0.170610E+02
    19     -0.139154E+02      0.377603E+01     -0.221848E+02
    20      0.878583E+01     -0.138725E+01     -0.330623E+02
    21      0.214977E+02      0.223567E+02      0.184771E+03
    22     -0.235047E+02      0.100359E+02      0.216108E+03
    23      0.215504E+02     -0.223175E+02      0.184722E+03
    24     -0.235097E+02     -0.100313E+02      0.216099E+03
    25      0.214894E+02      0.223559E+02      0.184763E+03
    26     -0.234964E+02      0.100330E+02      0.216131E+03
    27      0.215519E+02     -0.223149E+02      0.184717E+03
    28     -0.234990E+02     -0.100366E+02      0.216097E+03
    29     -0.107091E+01     -0.235699E+01      0.276765E+02
    30     -0.226215E+01     -0.103047E+02      0.234799E+02
    31     -0.302184E+01     -0.666242E+01     -0.278171E+02
    32      0.411843E+02      0.353858E+02      0.149765E+03
    33      0.683534E+02      0.588850E+02      0.194298E+03
    34      0.211696E+01      0.885670E+02      0.136534E+03
    35     -0.857856E+02      0.137810E+02      0.292120E+03
    36     -0.508373E+02     -0.220898E+02      0.176275E+03
    37     -0.263253E+02      0.693006E+02      0.209843E+03
    38     -0.106954E+01      0.234313E+01      0.276944E+02
    39     -0.227280E+01      0.103133E+02      0.234836E+02
    40     -0.300240E+01      0.666155E+01     -0.278116E+02
    41      0.412802E+02     -0.353007E+02      0.149641E+03
    42      0.684071E+02     -0.588298E+02      0.194131E+03
    43      0.220885E+01     -0.884823E+02      0.136447E+03
    44     -0.857905E+02     -0.137622E+02      0.292112E+03
    45     -0.508407E+02      0.220916E+02      0.176269E+03
    46     -0.263709E+02     -0.692883E+02      0.209865E+03
    47     -0.106906E+01     -0.236149E+01      0.276680E+02
    48     -0.226118E+01     -0.103099E+02      0.234821E+02
    49     -0.302245E+01     -0.665776E+01     -0.278147E+02
    50      0.411419E+02      0.354016E+02      0.149715E+03
    51      0.683390E+02      0.589004E+02      0.194302E+03
    52      0.210504E+01      0.885986E+02      0.136575E+03
    53     -0.857676E+02      0.137644E+02      0.292191E+03
    54     -0.508165E+02     -0.220832E+02      0.176277E+03
    55     -0.262998E+02      0.693072E+02      0.209916E+03
    56     -0.105731E+01      0.234168E+01      0.276986E+02
    57     -0.226275E+01      0.103039E+02      0.234967E+02
    58     -0.300510E+01      0.666004E+01     -0.277979E+02
    59      0.413100E+02     -0.352922E+02      0.149603E+03
    60      0.684103E+02     -0.588017E+02      0.194163E+03
    61      0.223416E+01     -0.884913E+02      0.136441E+03
    62     -0.857682E+02     -0.137699E+02      0.292098E+03
    63     -0.508351E+02      0.221014E+02      0.176276E+03
    64     -0.263629E+02     -0.692685E+02      0.209858E+03
    65     -0.949613E+00     -0.323530E+01     -0.148759E+03
    66      0.890651E+01     -0.545242E+01     -0.138112E+03
    67     -0.954136E+00      0.322799E+01     -0.148750E+03
    68      0.890019E+01      0.546309E+01     -0.138109E+03
    69     -0.955614E+00     -0.323349E+01     -0.148773E+03
    70      0.889626E+01     -0.545098E+01     -0.138115E+03
    71     -0.948684E+00      0.321840E+01     -0.148737E+03
    72      0.890096E+01      0.545594E+01     -0.138124E+03
    73     -0.849747E+01      0.460163E+00     -0.139557E+03
    74     -0.852746E+01     -0.473284E+00     -0.139547E+03
 
 -------------------------------------------------------------
   plane wave contribution
 -------------------------------------------------------------
     1      0.136666E-01      0.637682E+00     -0.199232E+02
     2      0.161730E+01      0.963111E+00     -0.208684E+01
     3     -0.355440E+01     -0.462880E+01     -0.165110E+02
     4     -0.139483E+02     -0.377810E+01     -0.216701E+02
     5      0.880121E+01      0.138183E+01     -0.325395E+02
     6      0.140295E-01     -0.637504E+00     -0.199229E+02
     7      0.161766E+01     -0.963779E+00     -0.210495E+01
     8     -0.354944E+01      0.462656E+01     -0.164992E+02
     9     -0.139410E+02      0.378634E+01     -0.216760E+02
    10      0.880304E+01     -0.138886E+01     -0.325392E+02
    11      0.141475E-01      0.634845E+00     -0.199237E+02
    12      0.161760E+01      0.962583E+00     -0.208405E+01
    13     -0.355495E+01     -0.462982E+01     -0.165121E+02
    14     -0.139476E+02     -0.377415E+01     -0.216716E+02
    15      0.880240E+01      0.138243E+01     -0.325366E+02
    16      0.141884E-01     -0.635636E+00     -0.199230E+02
    17      0.161819E+01     -0.963302E+00     -0.210092E+01
    18     -0.354815E+01      0.462444E+01     -0.164981E+02
    19     -0.139388E+02      0.378392E+01     -0.216724E+02
    20      0.880095E+01     -0.138932E+01     -0.325364E+02
    21      0.116260E+02      0.116997E+02      0.107424E+03
    22     -0.130436E+02      0.557807E+01      0.124672E+03
    23      0.116582E+02     -0.116796E+02      0.107399E+03
    24     -0.130465E+02     -0.557500E+01      0.124666E+03
    25      0.116217E+02      0.116988E+02      0.107419E+03
    26     -0.130392E+02      0.557640E+01      0.124685E+03
    27      0.116582E+02     -0.116776E+02      0.107395E+03
    28     -0.130398E+02     -0.557845E+01      0.124665E+03
    29     -0.498353E+00     -0.109028E+01     -0.576329E+02
    30     -0.288988E+00     -0.416928E+01     -0.586113E+02
    31     -0.119185E+01     -0.260750E+01     -0.813266E+02
    32      0.172732E+02      0.134276E+02     -0.359596E+01
    33      0.282751E+02      0.240197E+02      0.148997E+02
    34      0.171907E+00      0.370336E+02     -0.875170E+01
    35     -0.361693E+02      0.557599E+01      0.569668E+02
    36     -0.213468E+02     -0.104464E+02      0.727636E+01
    37     -0.113959E+02      0.300629E+02      0.210692E+02
    38     -0.497385E+00      0.108477E+01     -0.576247E+02
    39     -0.293736E+00      0.417213E+01     -0.586076E+02
    40     -0.118370E+01      0.260689E+01     -0.813238E+02
    41      0.173134E+02     -0.133925E+02     -0.364611E+01
    42      0.282965E+02     -0.239979E+02      0.148297E+02
    43      0.212781E+00     -0.369980E+02     -0.878885E+01
    44     -0.361709E+02     -0.556770E+01      0.569640E+02
    45     -0.213477E+02      0.104472E+02      0.727349E+01
    46     -0.114155E+02     -0.300575E+02      0.210782E+02
    47     -0.497592E+00     -0.109205E+01     -0.576366E+02
    48     -0.288197E+00     -0.417158E+01     -0.586107E+02
    49     -0.119215E+01     -0.260561E+01     -0.813253E+02
    50      0.172556E+02      0.134345E+02     -0.361704E+01
    51      0.282693E+02      0.240260E+02      0.149016E+02
    52      0.167293E+00      0.370472E+02     -0.873430E+01
    53     -0.361619E+02      0.556885E+01      0.569977E+02
    54     -0.213382E+02     -0.104432E+02      0.727683E+01
    55     -0.113851E+02      0.300657E+02      0.211004E+02
    56     -0.492174E+00      0.108413E+01     -0.576227E+02
    57     -0.289538E+00      0.416815E+01     -0.586019E+02
    58     -0.118493E+01      0.260601E+01     -0.813177E+02
    59      0.173261E+02     -0.133883E+02     -0.366280E+01
    60      0.282978E+02     -0.239854E+02      0.148438E+02
    61      0.223065E+00     -0.370022E+02     -0.879177E+01
    62     -0.361616E+02     -0.557113E+01      0.569577E+02
    63     -0.213453E+02      0.104513E+02      0.727619E+01
    64     -0.114116E+02     -0.300488E+02      0.210750E+02
    65      0.106573E+00     -0.707789E+00     -0.106642E+03
    66      0.172728E+01     -0.934942E+00     -0.104470E+03
    67      0.106635E+00      0.706467E+00     -0.106640E+03
    68      0.172628E+01      0.936790E+00     -0.104470E+03
    69      0.105573E+00     -0.706878E+00     -0.106645E+03
    70      0.172585E+01     -0.934938E+00     -0.104471E+03
    71      0.106830E+00      0.705750E+00     -0.106639E+03
    72      0.172609E+01      0.935537E+00     -0.104470E+03
    73     -0.138129E+01      0.172366E+00     -0.105942E+03
    74     -0.138465E+01     -0.174956E+00     -0.105941E+03
 
 -------------------------------------------------------------
   one center paramagnetic contribution
 -------------------------------------------------------------
     1      0.956494E-04     -0.121948E-02     -0.322071E-01
     2     -0.178607E-02      0.353211E-03     -0.524924E-01
     3      0.663786E-02      0.109164E-01     -0.292876E-01
     4      0.242324E-01      0.814293E-02     -0.260109E-01
     5     -0.157532E-01     -0.212587E-02     -0.996551E-02
     6      0.965865E-04      0.122122E-02     -0.322049E-01
     7     -0.178903E-02     -0.357526E-03     -0.524556E-01
     8      0.662956E-02     -0.109092E-01     -0.292954E-01
     9      0.242247E-01     -0.816264E-02     -0.260078E-01
    10     -0.157552E-01      0.214090E-02     -0.996797E-02
    11      0.953472E-04     -0.121435E-02     -0.322098E-01
    12     -0.178585E-02      0.353517E-03     -0.524943E-01
    13      0.664033E-02      0.109179E-01     -0.292846E-01
    14      0.242328E-01      0.813713E-02     -0.260082E-01
    15     -0.157551E-01     -0.212738E-02     -0.996808E-02
    16      0.969921E-04      0.121789E-02     -0.322034E-01
    17     -0.178809E-02     -0.357386E-03     -0.524555E-01
    18      0.662737E-02     -0.109055E-01     -0.292981E-01
    19      0.242191E-01     -0.815866E-02     -0.259999E-01
    20     -0.157526E-01      0.214036E-02     -0.996691E-02
    21      0.985168E+01      0.106209E+02      0.807413E+02
    22     -0.104323E+02      0.444781E+01      0.947892E+02
    23      0.987205E+01     -0.106019E+02      0.807173E+02
    24     -0.104343E+02     -0.444627E+01      0.947853E+02
    25      0.984759E+01      0.106211E+02      0.807377E+02
    26     -0.104284E+02      0.444661E+01      0.947980E+02
    27      0.987354E+01     -0.106013E+02      0.807165E+02
    28     -0.104303E+02     -0.444810E+01      0.947851E+02
    29     -0.558817E+00     -0.129204E+01      0.939300E+02
    30     -0.183749E+01     -0.591619E+01      0.906387E+02
    31     -0.182424E+01     -0.399840E+01      0.628837E+02
    32      0.239424E+02      0.221808E+02      0.162298E+03
    33      0.398822E+02      0.348176E+02      0.188079E+03
    34      0.218434E+01      0.514245E+02      0.154029E+03
    35     -0.494769E+02      0.825860E+01      0.243675E+03
    36     -0.295264E+02     -0.113267E+02      0.178045E+03
    37     -0.150764E+02      0.389091E+02      0.197694E+03
    38     -0.558398E+00      0.128372E+01      0.939397E+02
    39     -0.184350E+01      0.592199E+01      0.906383E+02
    40     -0.181295E+01      0.399825E+01      0.628868E+02
    41      0.239979E+02     -0.221309E+02      0.162224E+03
    42      0.399148E+02     -0.347842E+02      0.187982E+03
    43      0.223515E+01     -0.513756E+02      0.153979E+03
    44     -0.494802E+02     -0.824814E+01      0.243671E+03
    45     -0.295289E+02      0.113277E+02      0.178042E+03
    46     -0.151023E+02     -0.389023E+02      0.197707E+03
    47     -0.557740E+00     -0.129465E+01      0.939252E+02
    48     -0.183722E+01     -0.591903E+01      0.906404E+02
    49     -0.182456E+01     -0.399574E+01      0.628848E+02
    50      0.239179E+02      0.221896E+02      0.162270E+03
    51      0.398735E+02      0.348268E+02      0.188082E+03
    52      0.217706E+01      0.514424E+02      0.154052E+03
    53     -0.494663E+02      0.824929E+01      0.243716E+03
    54     -0.295142E+02     -0.113233E+02      0.178046E+03
    55     -0.150616E+02      0.389128E+02      0.197735E+03
    56     -0.551351E+00      0.128285E+01      0.939419E+02
    57     -0.183765E+01      0.591665E+01      0.906455E+02
    58     -0.181440E+01      0.399761E+01      0.628943E+02
    59      0.240152E+02     -0.221265E+02      0.162202E+03
    60      0.399167E+02     -0.347687E+02      0.188001E+03
    61      0.225022E+01     -0.513805E+02      0.153976E+03
    62     -0.494673E+02     -0.825238E+01      0.243662E+03
    63     -0.295256E+02      0.113334E+02      0.178046E+03
    64     -0.150981E+02     -0.388911E+02      0.197703E+03
    65     -0.105424E+01     -0.254877E+01      0.125988E+03
    66      0.722969E+01     -0.455001E+01      0.134455E+03
    67     -0.105885E+01      0.254272E+01      0.125996E+03
    68      0.722434E+01      0.455891E+01      0.134458E+03
    69     -0.105930E+01     -0.254786E+01      0.125977E+03
    70      0.722078E+01     -0.454856E+01      0.134453E+03
    71     -0.105355E+01      0.253376E+01      0.126007E+03
    72      0.722530E+01      0.455295E+01      0.134443E+03
    73     -0.712945E+01      0.279685E+00      0.134595E+03
    74     -0.715620E+01     -0.290542E+00      0.134604E+03
 
 -------------------------------------------------------------
   one center diamagnetic contribution
 -------------------------------------------------------------
     1     -0.436610E-05      0.511866E-04     -0.556938E+00
     2      0.811185E-04      0.277703E-04     -0.474597E+00
     3     -0.257535E-03     -0.461119E-03     -0.533660E+00
     4     -0.860566E-03     -0.272224E-03     -0.486369E+00
     5      0.636151E-03      0.760685E-04     -0.515948E+00
     6     -0.438792E-05     -0.512644E-04     -0.556940E+00
     7      0.812428E-04     -0.277322E-04     -0.474710E+00
     8     -0.257257E-03      0.460726E-03     -0.533590E+00
     9     -0.860571E-03      0.272904E-03     -0.486469E+00
    10      0.636219E-03     -0.767138E-04     -0.515958E+00
    11     -0.434738E-05      0.509759E-04     -0.556957E+00
    12      0.811070E-04      0.277640E-04     -0.474559E+00
    13     -0.257623E-03     -0.461191E-03     -0.533654E+00
    14     -0.860623E-03     -0.272033E-03     -0.486389E+00
    15      0.636211E-03      0.761170E-04     -0.515937E+00
    16     -0.436585E-05     -0.511362E-04     -0.556932E+00
    17      0.811838E-04     -0.277022E-04     -0.474655E+00
    18     -0.257145E-03      0.460589E-03     -0.533600E+00
    19     -0.860293E-03      0.272707E-03     -0.486392E+00
    20      0.636122E-03     -0.766699E-04     -0.515925E+00
    21      0.200857E-01      0.360158E-01     -0.339437E+01
    22     -0.288625E-01      0.100404E-01     -0.335273E+01
    23      0.201286E-01     -0.359701E-01     -0.339424E+01
    24     -0.288757E-01     -0.100403E-01     -0.335271E+01
    25      0.200731E-01      0.360228E-01     -0.339430E+01
    26     -0.288503E-01      0.100380E-01     -0.335263E+01
    27      0.201437E-01     -0.359747E-01     -0.339437E+01
    28     -0.288730E-01     -0.100328E-01     -0.335275E+01
    29     -0.137448E-01      0.253303E-01     -0.862062E+01
    30     -0.135675E+00     -0.219270E+00     -0.854747E+01
    31     -0.574722E-02     -0.565223E-01     -0.937431E+01
    32     -0.314060E-01     -0.222584E+00     -0.893774E+01
    33      0.196025E+00      0.477070E-01     -0.868126E+01
    34     -0.239292E+00      0.108961E+00     -0.874322E+01
    35     -0.139390E+00     -0.536321E-01     -0.852239E+01
    36      0.359596E-01     -0.316645E+00     -0.904634E+01
    37      0.146923E+00      0.328569E+00     -0.891984E+01
    38     -0.137545E-01     -0.253640E-01     -0.862060E+01
    39     -0.135562E+00      0.219159E+00     -0.854711E+01
    40     -0.574456E-02      0.564161E-01     -0.937465E+01
    41     -0.312322E-01      0.222679E+00     -0.893647E+01
    42      0.195710E+00     -0.477040E-01     -0.868101E+01
    43     -0.239081E+00     -0.108705E+00     -0.874329E+01
    44     -0.139398E+00      0.536540E-01     -0.852223E+01
    45      0.359445E-01      0.316633E+00     -0.904626E+01
    46      0.146848E+00     -0.328619E+00     -0.891983E+01
    47     -0.137279E-01      0.252120E-01     -0.862065E+01
    48     -0.135763E+00     -0.219312E+00     -0.854757E+01
    49     -0.573941E-02     -0.564130E-01     -0.937424E+01
    50     -0.315911E-01     -0.222496E+00     -0.893764E+01
    51      0.196131E+00      0.475274E-01     -0.868135E+01
    52     -0.239310E+00      0.108925E+00     -0.874297E+01
    53     -0.139365E+00     -0.537861E-01     -0.852216E+01
    54      0.358757E-01     -0.316690E+00     -0.904623E+01
    55      0.146893E+00      0.328644E+00     -0.891972E+01
    56     -0.137859E-01     -0.253046E-01     -0.862051E+01
    57     -0.135569E+00      0.219089E+00     -0.854688E+01
    58     -0.576570E-02      0.564198E-01     -0.937454E+01
    59     -0.312601E-01      0.222647E+00     -0.893678E+01
    60      0.195734E+00     -0.476458E-01     -0.868114E+01
    61     -0.239134E+00     -0.108705E+00     -0.874355E+01
    62     -0.139326E+00      0.536307E-01     -0.852225E+01
    63      0.358540E-01      0.316720E+00     -0.904621E+01
    64      0.146801E+00     -0.328643E+00     -0.891991E+01
    65     -0.194549E-02      0.212609E-01     -0.168105E+03
    66     -0.504618E-01      0.325293E-01     -0.168097E+03
    67     -0.191784E-02     -0.211981E-01     -0.168105E+03
    68     -0.504312E-01     -0.326084E-01     -0.168097E+03
    69     -0.188561E-02      0.212407E-01     -0.168105E+03
    70     -0.503681E-01      0.325150E-01     -0.168097E+03
    71     -0.196110E-02     -0.211160E-01     -0.168105E+03
    72     -0.504189E-01     -0.325461E-01     -0.168098E+03
    73      0.132707E-01      0.811214E-02     -0.168210E+03
    74      0.133857E-01     -0.778666E-02     -0.168210E+03
 -------------------------------------------------------------
 

 -------------------------------------------------------------
  Absolute Chemical Shift tensors
 -------------------------------------------------------------
  UNSYMMETRIZED TENSORS 
 ion    1
        -20.408256          1.614767         -0.135768
          0.749816        -32.813171          0.544445
          0.013758          0.636513        -20.512376
 ion    2
        -32.860979          3.520075         -0.043819
          6.441995         -5.312067          0.986020
          1.615591          0.963492         -2.613932
 ion    3
        -19.323327         -5.224005         -3.109418
         -6.122250        -25.197012         -4.520276
         -3.548023         -4.618348        -17.073987
 ion    4
        -15.353970         -4.951662        -14.440484
         -5.904326         -5.589175         -4.787296
        -13.924963         -3.770229        -22.182475
 ion    5
        -11.807439         -1.784648         10.349848
         -1.583631         -8.305168          1.183852
          8.786094          1.379782        -33.065378
 ion    6
        -20.410317         -1.618272         -0.134975
         -0.752929        -32.811924         -0.544686
          0.014122         -0.636334        -20.512070
 ion    7
        -32.854211         -3.516728         -0.040577
         -6.440013         -5.333880         -0.985904
          1.615949         -0.964164         -2.632119
 ion    8
        -19.320027          5.223906         -3.105640
          6.122567        -25.201295          4.517384
         -3.543072          4.616116        -17.062086
 ion    9
        -15.348556          4.957548        -14.434355
          5.911941         -5.604042          4.798267
        -13.917674          3.778446        -22.188475
 ion   10
        -11.804939          1.788713         10.350527
          1.587270         -8.304062         -1.191419
          8.787923         -1.386795        -33.065096
 ion   11
        -20.408624          1.615374         -0.135204
          0.750779        -32.814170          0.541108
          0.014239          0.633681        -20.512826
 ion   12
        -32.858810          3.523428         -0.043979
          6.445184         -5.309753          0.985411
          1.615895          0.962964         -2.611100
 ion   13
        -19.323241         -5.223800         -3.109988
         -6.121792        -25.194403         -4.521400
         -3.548569         -4.619363        -17.075068
 ion   14
        -15.356626         -4.949287        -14.440801
         -5.901771         -5.589396         -4.782897
        -13.924232         -3.766287        -22.183950
 ion   15
        -11.809330         -1.785275         10.351116
         -1.583956         -8.305781          1.184324
          8.787282          1.380375        -33.062523
 ion   16
        -20.410623         -1.617359         -0.134802
         -0.751250        -32.811830         -0.542677
          0.014281         -0.634470        -20.512143
 ion   17
        -32.851529         -3.520417         -0.039820
         -6.443763         -5.331420         -0.985532
          1.616480         -0.963688         -2.628031
 ion   18
        -19.322604          5.224477         -3.104254
          6.123466        -25.203742          4.515625
         -3.541782          4.613991        -17.061045
 ion   19
        -15.347480          4.956300        -14.432298
          5.911095         -5.602569          4.795241
        -13.915442          3.776032        -22.184765
 ion   20
        -11.805485          1.789194         10.349242
          1.587878         -8.304863         -1.191945
          8.785829         -1.387252        -33.062269
 ion   21
        216.088540        -11.691239         21.498818
        -12.552769        197.911207         22.980602
         21.497735         22.356668        184.770586
 ion   22
        177.371890         19.585034        -23.374541
         15.590895        214.540271          8.957466
        -23.504703         10.035916        216.108292
 ion   23
        216.145499         11.672687         21.550241
         12.528238        198.026819        -22.941058
         21.550377        -22.317511        184.722296
 ion   24
        177.375408        -19.586406        -23.376625
        -15.590544        214.556933         -8.953292
        -23.509667        -10.031308        216.098709
 ion   25
        216.115983        -11.687517         21.488842
        -12.549190        197.914156         22.981087
         21.489389         22.355878        184.762722
 ion   26
        177.373020         19.590667        -23.366787
         15.598386        214.548044          8.950162
        -23.496447         10.033046        216.130823
 ion   27
        216.115501         11.685041         21.549640
         12.538869        198.016614        -22.937562
         21.551859        -22.314900        184.717076
 ion   28
        177.362946        -19.585717        -23.370116
        -15.590830        214.554450         -8.958060
        -23.499041        -10.036574        216.097098
 ion   29
         29.108541          0.598503         -1.059105
         -0.438104         -5.976661         -1.450076
         -1.070914         -2.356993         27.676465
 ion   30
         -0.504916         -8.568378         -5.771161
         -1.004464         29.505826         -4.948204
         -2.262151        -10.304744         23.479874
 ion   31
         15.889396         -4.266813          0.600797
         -8.610132         31.685028         -9.598000
         -3.021841         -6.662423        -27.817131
 ion   32
        266.926875        -58.390749         32.659260
        -75.135753        187.053110         37.039165
         41.184287         35.385775        149.764606
 ion   33
        231.678341          5.467024         73.969112
         13.687305        183.803852         76.035695
         68.353360         58.885003        194.297890
 ion   34
        127.704210        -35.747239          2.461841
        -27.770480        236.265519         73.615330
          2.116957         88.567038        136.534315
 ion   35
        146.603635         19.662626        -86.075220
         24.442003        179.675309         15.330697
        -85.785593         13.780961        292.119703
 ion   36
        147.415055         69.251966        -48.777519
         73.835403        247.034467        -20.958002
        -50.837274        -22.089770        176.275140
 ion   37
        119.440581         29.737402        -28.640554
         32.408100        253.080956         70.448734
        -26.325320         69.300581        209.842964
 ion   38
         29.087378         -0.597210         -1.058230
          0.440204         -5.978318          1.434250
         -1.069538          2.343128         27.694381
 ion   39
         -0.460413          8.592995         -5.772212
          1.023585         29.468142          4.972834
         -2.272801         10.313283         23.483620
 ion   40
         15.890318          4.258770          0.620128
          8.604915         31.652046          9.625124
         -3.002397          6.661550        -27.811645
 ion   41
        266.864108         58.432968         32.749990
         75.178343        187.321431        -36.975831
         41.280151        -35.300726        149.641355
 ion   42
        231.793329         -5.558644         74.018876
        -13.787232        184.065553        -76.003211
         68.407053        -58.829772        194.130799
 ion   43
        127.751800         35.611299          2.566515
         27.650281        236.726272        -73.512597
          2.208848        -88.482323        136.447270
 ion   44
        146.624251        -19.632250        -86.098691
        -24.421741        179.641273        -15.324923
        -85.790508        -13.762190        292.112371
 ion   45
        147.437824        -69.247128        -48.780885
        -73.828485        247.085838         20.945214
        -50.840713         22.091552        176.269212
 ion   46
        119.432486        -29.739385        -28.705845
        -32.400352        253.099001        -70.428165
        -26.370876        -69.288347        209.865019
 ion   47
         29.095986          0.592322         -1.057443
         -0.442356         -5.980954         -1.456952
         -1.069060         -2.361489         27.668031
 ion   48
         -0.496327         -8.560970         -5.773334
         -1.002631         29.518874         -4.951479
         -2.261179        -10.309922         23.482127
 ion   49
         15.890097         -4.264305          0.598730
         -8.610804         31.683561         -9.595183
         -3.022449         -6.657763        -27.814695
 ion   50
        266.945313        -58.384535         32.624603
        -75.138595        187.035974         37.070556
         41.141854         35.401553        149.715235
 ion   51
        231.761334          5.468155         73.949735
         13.722599        183.855599         76.051600
         68.338992         58.900375        194.302220
 ion   52
        127.708192        -35.689712          2.456383
        -27.726908        236.307232         73.633032
          2.105041         88.598573        136.574542
 ion   53
        146.588188         19.673890        -86.052200
         24.456169        179.673628         15.318239
        -85.767569         13.764358        292.191359
 ion   54
        147.410351         69.255207        -48.755405
         73.831978        247.080599        -20.955333
        -50.816491        -22.083153        176.276979
 ion   55
        119.452894         29.757132        -28.617084
         32.432698        253.095009         70.458577
        -26.299828         69.307184        209.915609
 ion   56
         29.080721         -0.588277         -1.047906
          0.447648         -5.981164          1.433026
         -1.057310          2.341680         27.698648
 ion   57
         -0.465629          8.588979         -5.765903
          1.021810         29.482678          4.965276
         -2.262752         10.303895         23.496718
 ion   58
         15.902316          4.257399          0.624305
          8.604185         31.672517          9.618418
         -3.005095          6.660043        -27.797932
 ion   59
        266.751679         58.445463         32.769195
         75.171102        187.268062        -36.970873
         41.309979        -35.292187        149.602882
 ion   60
        231.745958         -5.547358         74.019986
        -13.776433        184.036595        -75.979886
         68.410257        -58.801701        194.163237
 ion   61
        127.732359         35.578441          2.597297
         27.635392        236.666542        -73.518142
          2.234155        -88.491340        136.440594
 ion   62
        146.580595        -19.623326        -86.069632
        -24.414212        179.600651        -15.313913
        -85.768199        -13.769884        292.097703
 ion   63
        147.424043        -69.243747        -48.773131
        -73.826761        247.064954         20.957503
        -50.835105         22.101390        176.276101
 ion   64
        119.414753        -29.760320        -28.681599
        -32.429753        253.108650        -70.409632
        -26.362903        -69.268483        209.857800
 ion   65
       -134.068481         -0.541820         -0.009446
         -3.619010       -139.272805         -6.119273
         -0.949613         -3.235297       -148.758661
 ion   66
       -142.440501          2.886367          6.675890
          6.260548       -140.396793         -4.001861
          8.906512         -5.452421       -138.112215
 ion   67
       -134.069863          0.520457         -0.016840
          3.603555       -139.277498          6.109833
         -0.954136          3.227985       -148.749753
 ion   68
       -142.419776         -2.876707          6.672902
         -6.253999       -140.408384          4.008308
          8.900188          5.463094       -138.109091
 ion   69
       -134.062124         -0.545490         -0.016908
         -3.621857       -139.264423         -6.119027
         -0.955614         -3.233493       -148.772745
 ion   70
       -142.420203          2.884731          6.664220
          6.257987       -140.407670         -3.999754
          8.896259         -5.450981       -138.114756
 ion   71
       -134.076217          0.534471         -0.010586
          3.617528       -139.269409          6.096728
         -0.948684          3.218395       -148.737390
 ion   72
       -142.439254         -2.877151          6.672833
         -6.255011       -140.421359          4.002791
          8.900961          5.455944       -138.123991
 ion   73
       -153.781288          0.888055         -8.504286
          5.273574       -132.210699          2.913303
         -8.497466          0.460163       -139.557285
 ion   74
       -153.803459         -0.887630         -8.515392
         -5.270950       -132.195369         -2.927726
         -8.527458         -0.473284       -139.547450
  SYMMETRIZED TENSORS 
 ion    1
        -20.408256          1.614767         -0.135768
          0.749816        -32.813171          0.544445
          0.013758          0.636513        -20.512376
 ion    2
        -32.860979          3.520075         -0.043819
          6.441995         -5.312067          0.986020
          1.615591          0.963492         -2.613932
 ion    3
        -19.323327         -5.224005         -3.109418
         -6.122250        -25.197012         -4.520276
         -3.548023         -4.618348        -17.073987
 ion    4
        -15.353970         -4.951662        -14.440484
         -5.904326         -5.589175         -4.787296
        -13.924963         -3.770229        -22.182475
 ion    5
        -11.807439         -1.784648         10.349848
         -1.583631         -8.305168          1.183852
          8.786094          1.379782        -33.065378
 ion    6
        -20.410317         -1.618272         -0.134975
         -0.752929        -32.811924         -0.544686
          0.014122         -0.636334        -20.512070
 ion    7
        -32.854211         -3.516728         -0.040577
         -6.440013         -5.333880         -0.985904
          1.615949         -0.964164         -2.632119
 ion    8
        -19.320027          5.223906         -3.105640
          6.122567        -25.201295          4.517384
         -3.543072          4.616116        -17.062086
 ion    9
        -15.348556          4.957548        -14.434355
          5.911941         -5.604042          4.798267
        -13.917674          3.778446        -22.188475
 ion   10
        -11.804939          1.788713         10.350527
          1.587270         -8.304062         -1.191419
          8.787923         -1.386795        -33.065096
 ion   11
        -20.408624          1.615374         -0.135204
          0.750779        -32.814170          0.541108
          0.014239          0.633681        -20.512826
 ion   12
        -32.858810          3.523428         -0.043979
          6.445184         -5.309753          0.985411
          1.615895          0.962964         -2.611100
 ion   13
        -19.323241         -5.223800         -3.109988
         -6.121792        -25.194403         -4.521400
         -3.548569         -4.619363        -17.075068
 ion   14
        -15.356626         -4.949287        -14.440801
         -5.901771         -5.589396         -4.782897
        -13.924232         -3.766287        -22.183950
 ion   15
        -11.809330         -1.785275         10.351116
         -1.583956         -8.305781          1.184324
          8.787282          1.380375        -33.062523
 ion   16
        -20.410623         -1.617359         -0.134802
         -0.751250        -32.811830         -0.542677
          0.014281         -0.634470        -20.512143
 ion   17
        -32.851529         -3.520417         -0.039820
         -6.443763         -5.331420         -0.985532
          1.616480         -0.963688         -2.628031
 ion   18
        -19.322604          5.224477         -3.104254
          6.123466        -25.203742          4.515625
         -3.541782          4.613991        -17.061045
 ion   19
        -15.347480          4.956300        -14.432298
          5.911095         -5.602569          4.795241
        -13.915442          3.776032        -22.184765
 ion   20
        -11.805485          1.789194         10.349242
          1.587878         -8.304863         -1.191945
          8.785829         -1.387252        -33.062269
 ion   21
        216.088540        -11.691239         21.498818
        -12.552769        197.911207         22.980602
         21.497735         22.356668        184.770586
 ion   22
        177.371890         19.585034        -23.374541
         15.590895        214.540271          8.957466
        -23.504703         10.035916        216.108292
 ion   23
        216.145499         11.672687         21.550241
         12.528238        198.026819        -22.941058
         21.550377        -22.317511        184.722296
 ion   24
        177.375408        -19.586406        -23.376625
        -15.590544        214.556933         -8.953292
        -23.509667        -10.031308        216.098709
 ion   25
        216.115983        -11.687517         21.488842
        -12.549190        197.914156         22.981087
         21.489389         22.355878        184.762722
 ion   26
        177.373020         19.590667        -23.366787
         15.598386        214.548044          8.950162
        -23.496447         10.033046        216.130823
 ion   27
        216.115501         11.685041         21.549640
         12.538869        198.016614        -22.937562
         21.551859        -22.314900        184.717076
 ion   28
        177.362946        -19.585717        -23.370116
        -15.590830        214.554450         -8.958060
        -23.499041        -10.036574        216.097098
 ion   29
         29.108541          0.598503         -1.059105
         -0.438104         -5.976661         -1.450076
         -1.070914         -2.356993         27.676465
 ion   30
         -0.504916         -8.568378         -5.771161
         -1.004464         29.505826         -4.948204
         -2.262151        -10.304744         23.479874
 ion   31
         15.889396         -4.266813          0.600797
         -8.610132         31.685028         -9.598000
         -3.021841         -6.662423        -27.817131
 ion   32
        266.926875        -58.390749         32.659260
        -75.135753        187.053110         37.039165
         41.184287         35.385775        149.764606
 ion   33
        231.678341          5.467024         73.969112
         13.687305        183.803852         76.035695
         68.353360         58.885003        194.297890
 ion   34
        127.704210        -35.747239          2.461841
        -27.770480        236.265519         73.615330
          2.116957         88.567038        136.534315
 ion   35
        146.603635         19.662626        -86.075220
         24.442003        179.675309         15.330697
        -85.785593         13.780961        292.119703
 ion   36
        147.415055         69.251966        -48.777519
         73.835403        247.034467        -20.958002
        -50.837274        -22.089770        176.275140
 ion   37
        119.440581         29.737402        -28.640554
         32.408100        253.080956         70.448734
        -26.325320         69.300581        209.842964
 ion   38
         29.087378         -0.597210         -1.058230
          0.440204         -5.978318          1.434250
         -1.069538          2.343128         27.694381
 ion   39
         -0.460413          8.592995         -5.772212
          1.023585         29.468142          4.972834
         -2.272801         10.313283         23.483620
 ion   40
         15.890318          4.258770          0.620128
          8.604915         31.652046          9.625124
         -3.002397          6.661550        -27.811645
 ion   41
        266.864108         58.432968         32.749990
         75.178343        187.321431        -36.975831
         41.280151        -35.300726        149.641355
 ion   42
        231.793329         -5.558644         74.018876
        -13.787232        184.065553        -76.003211
         68.407053        -58.829772        194.130799
 ion   43
        127.751800         35.611299          2.566515
         27.650281        236.726272        -73.512597
          2.208848        -88.482323        136.447270
 ion   44
        146.624251        -19.632250        -86.098691
        -24.421741        179.641273        -15.324923
        -85.790508        -13.762190        292.112371
 ion   45
        147.437824        -69.247128        -48.780885
        -73.828485        247.085838         20.945214
        -50.840713         22.091552        176.269212
 ion   46
        119.432486        -29.739385        -28.705845
        -32.400352        253.099001        -70.428165
        -26.370876        -69.288347        209.865019
 ion   47
         29.095986          0.592322         -1.057443
         -0.442356         -5.980954         -1.456952
         -1.069060         -2.361489         27.668031
 ion   48
         -0.496327         -8.560970         -5.773334
         -1.002631         29.518874         -4.951479
         -2.261179        -10.309922         23.482127
 ion   49
         15.890097         -4.264305          0.598730
         -8.610804         31.683561         -9.595183
         -3.022449         -6.657763        -27.814695
 ion   50
        266.945313        -58.384535         32.624603
        -75.138595        187.035974         37.070556
         41.141854         35.401553        149.715235
 ion   51
        231.761334          5.468155         73.949735
         13.722599        183.855599         76.051600
         68.338992         58.900375        194.302220
 ion   52
        127.708192        -35.689712          2.456383
        -27.726908        236.307232         73.633032
          2.105041         88.598573        136.574542
 ion   53
        146.588188         19.673890        -86.052200
         24.456169        179.673628         15.318239
        -85.767569         13.764358        292.191359
 ion   54
        147.410351         69.255207        -48.755405
         73.831978        247.080599        -20.955333
        -50.816491        -22.083153        176.276979
 ion   55
        119.452894         29.757132        -28.617084
         32.432698        253.095009         70.458577
        -26.299828         69.307184        209.915609
 ion   56
         29.080721         -0.588277         -1.047906
          0.447648         -5.981164          1.433026
         -1.057310          2.341680         27.698648
 ion   57
         -0.465629          8.588979         -5.765903
          1.021810         29.482678          4.965276
         -2.262752         10.303895         23.496718
 ion   58
         15.902316          4.257399          0.624305
          8.604185         31.672517          9.618418
         -3.005095          6.660043        -27.797932
 ion   59
        266.751679         58.445463         32.769195
         75.171102        187.268062        -36.970873
         41.309979        -35.292187        149.602882
 ion   60
        231.745958         -5.547358         74.019986
        -13.776433        184.036595        -75.979886
         68.410257        -58.801701        194.163237
 ion   61
        127.732359         35.578441          2.597297
         27.635392        236.666542        -73.518142
          2.234155        -88.491340        136.440594
 ion   62
        146.580595        -19.623326        -86.069632
        -24.414212        179.600651        -15.313913
        -85.768199        -13.769884        292.097703
 ion   63
        147.424043        -69.243747        -48.773131
        -73.826761        247.064954         20.957503
        -50.835105         22.101390        176.276101
 ion   64
        119.414753        -29.760320        -28.681599
        -32.429753        253.108650        -70.409632
        -26.362903        -69.268483        209.857800
 ion   65
       -134.068481         -0.541820         -0.009446
         -3.619010       -139.272805         -6.119273
         -0.949613         -3.235297       -148.758661
 ion   66
       -142.440501          2.886367          6.675890
          6.260548       -140.396793         -4.001861
          8.906512         -5.452421       -138.112215
 ion   67
       -134.069863          0.520457         -0.016840
          3.603555       -139.277498          6.109833
         -0.954136          3.227985       -148.749753
 ion   68
       -142.419776         -2.876707          6.672902
         -6.253999       -140.408384          4.008308
          8.900188          5.463094       -138.109091
 ion   69
       -134.062124         -0.545490         -0.016908
         -3.621857       -139.264423         -6.119027
         -0.955614         -3.233493       -148.772745
 ion   70
       -142.420203          2.884731          6.664220
          6.257987       -140.407670         -3.999754
          8.896259         -5.450981       -138.114756
 ion   71
       -134.076217          0.534471         -0.010586
          3.617528       -139.269409          6.096728
         -0.948684          3.218395       -148.737390
 ion   72
       -142.439254         -2.877151          6.672833
         -6.255011       -140.421359          4.002791
          8.900961          5.455944       -138.123991
 ion   73
       -153.781288          0.888055         -8.504286
          5.273574       -132.210699          2.913303
         -8.497466          0.460163       -139.557285
 ion   74
       -153.803459         -0.887630         -8.515392
         -5.270950       -132.195369         -2.927726
         -8.527458         -0.473284       -139.547450
 -------------------------------------------------------------

 
 -------------------------------------------------------------
  G=0 CONTRIBUTION TO CHEMICAL SHIFT (field along BDIR) 
 -------------------------------------------------------------
   BDIR                X                 Y                 Z
 -------------------------------------------------------------
     1         -7.656428         -0.000020          0.016032
     2         -0.000000         -7.505309         -0.000043
     3          0.025939         -0.000043         -7.616261
 -------------------------------------------------------------
 
  Approximate magnetic susceptibility, pGv (10^-6 cm^3/mole) 
     1       -395.551213         -0.001045          0.828279
     2         -0.000009       -387.744017         -0.002211
     3          1.340059         -0.002243       -393.476080
 -------------------------------------------------------------
 
 
  LATTYP: Found a triclinic cell.
 ALAT       =    12.4847760486
 B/A-ratio  =     0.7369331273
 C/A-ratio  =     0.8151934602
 COS(alpha) =     0.0000351358
 COS(beta)  =     0.2809066133
 COS(gamma) =     0.7369960234
  
  Lattice vectors:
  
 A1 = (   3.4906951976,  -9.2008374627,  -7.6830508268)
 A2 = (   0.0001941541,  -9.2004450467,  -0.0003822232)
 A3 = (  -6.6785229145,  -0.0001794806,  -7.6797784087)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 triclinic supercell.


 Subroutine GETGRP returns: Found  1 space group operations
 (whereof  1 operations were pure point group operations)
 out of a pool of  2 trial point group operations.


The static configuration has the point symmetry C_1 .


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 triclinic supercell.


 Subroutine GETGRP returns: Found  1 space group operations
 (whereof  1 operations were pure point group operations)
 out of a pool of  2 trial point group operations.


The dynamic configuration has the point symmetry C_1 .


 Subroutine INISYM returns: Found  1 space group operations
 (whereof  1 operations are pure point group operations),
 and found     1 'primitive' translations

 
 KPOINTS: CaAl4Si2O12H2                           

Automatic generation of k-mesh.
 generate k-points for:    6    7    8
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    170 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.166667  0.000000 -0.000000      2.000000
  0.333333  0.000000 -0.000000      2.000000
  0.500000  0.000000 -0.000000      1.000000
  0.000000  0.142857 -0.000000      2.000000
  0.166667  0.142857 -0.000000      2.000000
  0.333333  0.142857 -0.000000      2.000000
  0.500000  0.142857 -0.000000      2.000000
 -0.333333  0.142857  0.000000      2.000000
 -0.166667  0.142857  0.000000      2.000000
  0.000000  0.285714 -0.000000      2.000000
  0.166667  0.285714 -0.000000      2.000000
  0.333333  0.285714 -0.000000      2.000000
  0.500000  0.285714 -0.000000      2.000000
 -0.333333  0.285714  0.000000      2.000000
 -0.166667  0.285714  0.000000      2.000000
  0.000000  0.428571 -0.000000      2.000000
  0.166667  0.428571 -0.000000      2.000000
  0.333333  0.428571 -0.000000      2.000000
  0.500000  0.428571 -0.000000      2.000000
 -0.333333  0.428571  0.000000      2.000000
 -0.166667  0.428571  0.000000      2.000000
 -0.000000  0.000000  0.125000      2.000000
  0.166667  0.000000  0.125000      2.000000
  0.333333  0.000000  0.125000      2.000000
  0.500000  0.000000  0.125000      2.000000
 -0.333333  0.000000  0.125000      2.000000
 -0.166667  0.000000  0.125000      2.000000
 -0.000000  0.142857  0.125000      2.000000
  0.166667  0.142857  0.125000      2.000000
  0.333333  0.142857  0.125000      2.000000
  0.500000  0.142857  0.125000      2.000000
 -0.333333  0.142857  0.125000      2.000000
 -0.166667  0.142857  0.125000      2.000000
 -0.000000  0.285714  0.125000      2.000000
  0.166667  0.285714  0.125000      2.000000
  0.333333  0.285714  0.125000      2.000000
  0.500000  0.285714  0.125000      2.000000
 -0.333333  0.285714  0.125000      2.000000
 -0.166667  0.285714  0.125000      2.000000
  0.000000  0.428571  0.125000      2.000000
  0.166667  0.428571  0.125000      2.000000
  0.333333  0.428571  0.125000      2.000000
  0.500000  0.428571  0.125000      2.000000
 -0.333333  0.428571  0.125000      2.000000
 -0.166667  0.428571  0.125000      2.000000
 -0.000000 -0.428571  0.125000      2.000000
  0.166667 -0.428571  0.125000      2.000000
  0.333333 -0.428571  0.125000      2.000000
  0.500000 -0.428571  0.125000      2.000000
 -0.333333 -0.428571  0.125000      2.000000
 -0.166667 -0.428571  0.125000      2.000000
 -0.000000 -0.285714  0.125000      2.000000
  0.166667 -0.285714  0.125000      2.000000
  0.333333 -0.285714  0.125000      2.000000
  0.500000 -0.285714  0.125000      2.000000
 -0.333333 -0.285714  0.125000      2.000000
 -0.166667 -0.285714  0.125000      2.000000
  0.000000 -0.142857  0.125000      2.000000
  0.166667 -0.142857  0.125000      2.000000
  0.333333 -0.142857  0.125000      2.000000
  0.500000 -0.142857  0.125000      2.000000
 -0.333333 -0.142857  0.125000      2.000000
 -0.166667 -0.142857  0.125000      2.000000
 -0.000000  0.000000  0.250000      2.000000
  0.166667  0.000000  0.250000      2.000000
  0.333333  0.000000  0.250000      2.000000
  0.500000  0.000000  0.250000      2.000000
 -0.333333  0.000000  0.250000      2.000000
 -0.166667  0.000000  0.250000      2.000000
 -0.000000  0.142857  0.250000      2.000000
  0.166667  0.142857  0.250000      2.000000
  0.333333  0.142857  0.250000      2.000000
  0.500000  0.142857  0.250000      2.000000
 -0.333333  0.142857  0.250000      2.000000
 -0.166667  0.142857  0.250000      2.000000
  0.000000  0.285714  0.250000      2.000000
  0.166667  0.285714  0.250000      2.000000
  0.333333  0.285714  0.250000      2.000000
  0.500000  0.285714  0.250000      2.000000
 -0.333333  0.285714  0.250000      2.000000
 -0.166667  0.285714  0.250000      2.000000
  0.000000  0.428571  0.250000      2.000000
  0.166667  0.428571  0.250000      2.000000
  0.333333  0.428571  0.250000      2.000000
  0.500000  0.428571  0.250000      2.000000
 -0.333333  0.428571  0.250000      2.000000
 -0.166667  0.428571  0.250000      2.000000
 -0.000000 -0.428571  0.250000      2.000000
  0.166667 -0.428571  0.250000      2.000000
  0.333333 -0.428571  0.250000      2.000000
  0.500000 -0.428571  0.250000      2.000000
 -0.333333 -0.428571  0.250000      2.000000
 -0.166667 -0.428571  0.250000      2.000000
 -0.000000 -0.285714  0.250000      2.000000
  0.166667 -0.285714  0.250000      2.000000
  0.333333 -0.285714  0.250000      2.000000
  0.500000 -0.285714  0.250000      2.000000
 -0.333333 -0.285714  0.250000      2.000000
 -0.166667 -0.285714  0.250000      2.000000
 -0.000000 -0.142857  0.250000      2.000000
  0.166667 -0.142857  0.250000      2.000000
  0.333333 -0.142857  0.250000      2.000000
  0.500000 -0.142857  0.250000      2.000000
 -0.333333 -0.142857  0.250000      2.000000
 -0.166667 -0.142857  0.250000      2.000000
 -0.000000 -0.000000  0.375000      2.000000
  0.166667  0.000000  0.375000      2.000000
  0.333333  0.000000  0.375000      2.000000
  0.500000  0.000000  0.375000      2.000000
 -0.333333  0.000000  0.375000      2.000000
 -0.166667  0.000000  0.375000      2.000000
 -0.000000  0.142857  0.375000      2.000000
  0.166667  0.142857  0.375000      2.000000
  0.333333  0.142857  0.375000      2.000000
  0.500000  0.142857  0.375000      2.000000
 -0.333333  0.142857  0.375000      2.000000
 -0.166667  0.142857  0.375000      2.000000
 -0.000000  0.285714  0.375000      2.000000
  0.166667  0.285714  0.375000      2.000000
  0.333333  0.285714  0.375000      2.000000
  0.500000  0.285714  0.375000      2.000000
 -0.333333  0.285714  0.375000      2.000000
 -0.166667  0.285714  0.375000      2.000000
  0.000000  0.428571  0.375000      2.000000
  0.166667  0.428571  0.375000      2.000000
  0.333333  0.428571  0.375000      2.000000
  0.500000  0.428571  0.375000      2.000000
 -0.333333  0.428571  0.375000      2.000000
 -0.166667  0.428571  0.375000      2.000000
 -0.000000 -0.428571  0.375000      2.000000
  0.166667 -0.428571  0.375000      2.000000
  0.333333 -0.428571  0.375000      2.000000
  0.500000 -0.428571  0.375000      2.000000
 -0.333333 -0.428571  0.375000      2.000000
 -0.166667 -0.428571  0.375000      2.000000
 -0.000000 -0.285714  0.375000      2.000000
  0.166667 -0.285714  0.375000      2.000000
  0.333333 -0.285714  0.375000      2.000000
  0.500000 -0.285714  0.375000      2.000000
 -0.333333 -0.285714  0.375000      2.000000
 -0.166667 -0.285714  0.375000      2.000000
 -0.000000 -0.142857  0.375000      2.000000
  0.166667 -0.142857  0.375000      2.000000
  0.333333 -0.142857  0.375000      2.000000
  0.500000 -0.142857  0.375000      2.000000
 -0.333333 -0.142857  0.375000      2.000000
 -0.166667 -0.142857  0.375000      2.000000
 -0.000000  0.000000  0.500000      1.000000
  0.166667  0.000000  0.500000      2.000000
  0.333333  0.000000  0.500000      2.000000
  0.500000  0.000000  0.500000      1.000000
 -0.000000  0.142857  0.500000      2.000000
  0.166667  0.142857  0.500000      2.000000
  0.333333  0.142857  0.500000      2.000000
  0.500000  0.142857  0.500000      2.000000
 -0.333333  0.142857  0.500000      2.000000
 -0.166667  0.142857  0.500000      2.000000
 -0.000000  0.285714  0.500000      2.000000
  0.166667  0.285714  0.500000      2.000000
  0.333333  0.285714  0.500000      2.000000
  0.500000  0.285714  0.500000      2.000000
 -0.333333  0.285714  0.500000      2.000000
 -0.166667  0.285714  0.500000      2.000000
 -0.000000  0.428571  0.500000      2.000000
  0.166667  0.428571  0.500000      2.000000
  0.333333  0.428571  0.500000      2.000000
  0.500000  0.428571  0.500000      2.000000
 -0.333333  0.428571  0.500000      2.000000
 -0.166667  0.428571  0.500000      2.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.016392  0.000000  0.007447      2.000000
  0.032784  0.000000  0.014895      2.000000
  0.049175  0.000000  0.022342      1.000000
  0.000000  0.015527 -0.000001      2.000000
  0.016392  0.015527  0.007447      2.000000
  0.032784  0.015527  0.014894      2.000000
  0.049176  0.015527  0.022341      2.000000
 -0.032783  0.015527 -0.014895      2.000000
 -0.016391  0.015527 -0.007448      2.000000
  0.000001  0.031054 -0.000001      2.000000
  0.016392  0.031054  0.007446      2.000000
  0.032784  0.031054  0.014893      2.000000
  0.049176  0.031055  0.022341      2.000000
 -0.032783  0.031054 -0.014896      2.000000
 -0.016391  0.031054 -0.007449      2.000000
  0.000001  0.046582 -0.000002      2.000000
  0.016393  0.046582  0.007445      2.000000
  0.032784  0.046582  0.014893      2.000000
  0.049176  0.046582  0.022340      2.000000
 -0.032783  0.046582 -0.014897      2.000000
 -0.016391  0.046582 -0.007449      2.000000
  0.000005 -0.000001  0.016272      2.000000
  0.016396 -0.000001  0.023720      2.000000
  0.032788 -0.000001  0.031167      2.000000
  0.049180 -0.000001  0.038615      2.000000
 -0.032779 -0.000001  0.001378      2.000000
 -0.016387 -0.000001  0.008825      2.000000
  0.000005  0.015527  0.016272      2.000000
  0.016397  0.015527  0.023719      2.000000
  0.032788  0.015527  0.031167      2.000000
  0.049180  0.015527  0.038614      2.000000
 -0.032779  0.015526  0.001377      2.000000
 -0.016387  0.015526  0.008825      2.000000
  0.000005  0.031054  0.016271      2.000000
  0.016397  0.031054  0.023719      2.000000
  0.032789  0.031054  0.031166      2.000000
  0.049181  0.031054  0.038613      2.000000
 -0.032778  0.031054  0.001377      2.000000
 -0.016386  0.031054  0.008824      2.000000
  0.000006  0.046581  0.016271      2.000000
  0.016397  0.046581  0.023718      2.000000
  0.032789  0.046581  0.031165      2.000000
  0.049181  0.046581  0.038613      2.000000
 -0.032778  0.046581  0.001376      2.000000
 -0.016386  0.046581  0.008823      2.000000
  0.000004 -0.046582  0.016274      2.000000
  0.016395 -0.046582  0.023722      2.000000
  0.032787 -0.046582  0.031169      2.000000
  0.049179 -0.046582  0.038616      2.000000
 -0.032780 -0.046582  0.001380      2.000000
 -0.016388 -0.046582  0.008827      2.000000
  0.000004 -0.031055  0.016274      2.000000
  0.016396 -0.031055  0.023721      2.000000
  0.032787 -0.031055  0.031168      2.000000
  0.049179 -0.031055  0.038616      2.000000
 -0.032780 -0.031055  0.001379      2.000000
 -0.016388 -0.031055  0.008826      2.000000
  0.000004 -0.015528  0.016273      2.000000
  0.016396 -0.015528  0.023720      2.000000
  0.032788 -0.015528  0.031168      2.000000
  0.049180 -0.015528  0.038615      2.000000
 -0.032779 -0.015528  0.001378      2.000000
 -0.016387 -0.015528  0.008826      2.000000
  0.000009 -0.000001  0.032545      2.000000
  0.016401 -0.000001  0.039992      2.000000
  0.032793 -0.000001  0.047440      2.000000
  0.049185 -0.000001  0.054887      2.000000
 -0.032774 -0.000001  0.017650      2.000000
 -0.016383 -0.000001  0.025098      2.000000
  0.000010  0.015526  0.032544      2.000000
  0.016401  0.015526  0.039992      2.000000
  0.032793  0.015526  0.047439      2.000000
  0.049185  0.015526  0.054886      2.000000
 -0.032774  0.015526  0.017650      2.000000
 -0.016382  0.015526  0.025097      2.000000
  0.000010  0.031053  0.032544      2.000000
  0.016402  0.031053  0.039991      2.000000
  0.032793  0.031053  0.047438      2.000000
  0.049185  0.031053  0.054886      2.000000
 -0.032774  0.031053  0.017649      2.000000
 -0.016382  0.031053  0.025096      2.000000
  0.000010  0.046580  0.032543      2.000000
  0.016402  0.046580  0.039990      2.000000
  0.032794  0.046580  0.047438      2.000000
  0.049186  0.046580  0.054885      2.000000
 -0.032773  0.046580  0.017648      2.000000
 -0.016382  0.046580  0.025096      2.000000
  0.000008 -0.046583  0.032547      2.000000
  0.016400 -0.046583  0.039994      2.000000
  0.032792 -0.046583  0.047442      2.000000
  0.049184 -0.046583  0.054889      2.000000
 -0.032775 -0.046583  0.017652      2.000000
 -0.016383 -0.046583  0.025100      2.000000
  0.000009 -0.031056  0.032546      2.000000
  0.016400 -0.031056  0.039994      2.000000
  0.032792 -0.031056  0.047441      2.000000
  0.049184 -0.031056  0.054888      2.000000
 -0.032775 -0.031056  0.017652      2.000000
 -0.016383 -0.031056  0.025099      2.000000
  0.000009 -0.015529  0.032546      2.000000
  0.016401 -0.015529  0.039993      2.000000
  0.032792 -0.015528  0.047440      2.000000
  0.049184 -0.015528  0.054888      2.000000
 -0.032775 -0.015529  0.017651      2.000000
 -0.016383 -0.015529  0.025098      2.000000
  0.000014 -0.000002  0.048817      2.000000
  0.016406 -0.000002  0.056265      2.000000
  0.032797 -0.000002  0.063712      2.000000
  0.049189 -0.000002  0.071159      2.000000
 -0.032770 -0.000002  0.033923      2.000000
 -0.016378 -0.000002  0.041370      2.000000
  0.000014  0.015525  0.048817      2.000000
  0.016406  0.015525  0.056264      2.000000
  0.032798  0.015525  0.063712      2.000000
  0.049189  0.015525  0.071159      2.000000
 -0.032769  0.015525  0.033922      2.000000
 -0.016378  0.015525  0.041369      2.000000
  0.000015  0.031052  0.048816      2.000000
  0.016406  0.031052  0.056264      2.000000
  0.032798  0.031052  0.063711      2.000000
  0.049190  0.031052  0.071158      2.000000
 -0.032769  0.031052  0.033921      2.000000
 -0.016377  0.031052  0.041369      2.000000
  0.000015  0.046580  0.048816      2.000000
  0.016407  0.046580  0.056263      2.000000
  0.032798  0.046580  0.063710      2.000000
  0.049190  0.046580  0.071158      2.000000
 -0.032769  0.046579  0.033921      2.000000
 -0.016377  0.046580  0.041368      2.000000
  0.000013 -0.046584  0.048819      2.000000
  0.016405 -0.046584  0.056267      2.000000
  0.032796 -0.046584  0.063714      2.000000
  0.049188 -0.046584  0.071161      2.000000
 -0.032771 -0.046584  0.033925      2.000000
 -0.016379 -0.046584  0.041372      2.000000
  0.000013 -0.031056  0.048819      2.000000
  0.016405 -0.031056  0.056266      2.000000
  0.032797 -0.031056  0.063713      2.000000
  0.049189 -0.031056  0.071161      2.000000
 -0.032770 -0.031056  0.033924      2.000000
 -0.016379 -0.031056  0.041371      2.000000
  0.000014 -0.015529  0.048818      2.000000
  0.016405 -0.015529  0.056265      2.000000
  0.032797 -0.015529  0.063713      2.000000
  0.049189 -0.015529  0.071160      2.000000
 -0.032770 -0.015529  0.033923      2.000000
 -0.016378 -0.015529  0.041371      2.000000
  0.000018 -0.000003  0.065090      1.000000
  0.016410 -0.000003  0.072537      2.000000
  0.032802 -0.000003  0.079985      2.000000
  0.049194 -0.000003  0.087432      1.000000
  0.000019  0.015524  0.065089      2.000000
  0.016411  0.015525  0.072537      2.000000
  0.032802  0.015525  0.079984      2.000000
  0.049194  0.015525  0.087431      2.000000
 -0.032765  0.015524  0.050195      2.000000
 -0.016373  0.015524  0.057642      2.000000
  0.000019  0.031052  0.065089      2.000000
  0.016411  0.031052  0.072536      2.000000
  0.032803  0.031052  0.079983      2.000000
  0.049194  0.031052  0.087431      2.000000
 -0.032764  0.031052  0.050194      2.000000
 -0.016373  0.031052  0.057641      2.000000
  0.000019  0.046579  0.065088      2.000000
  0.016411  0.046579  0.072535      2.000000
  0.032803  0.046579  0.079983      2.000000
  0.049195  0.046579  0.087430      2.000000
 -0.032764  0.046579  0.050193      2.000000
 -0.016372  0.046579  0.057641      2.000000
 
 TETIRR: Found   1008 inequivalent tetrahedra from     2016

 WARNING: MLR_CORE_SHIFTS: can not compute core contributions for atomic type:   1
          CORE CONTRIBUTION TO SHIELDING AND SUSCEPTIBILITY ARE INCORRECT


 WARNING: MLR_CORE_SHIFTS: can not compute core contributions for atomic type:   2
          CORE CONTRIBUTION TO SHIELDING AND SUSCEPTIBILITY ARE INCORRECT


 WARNING: MLR_CORE_SHIFTS: can not compute core contributions for atomic type:   3
          CORE CONTRIBUTION TO SHIELDING AND SUSCEPTIBILITY ARE INCORRECT


 WARNING: MLR_CORE_SHIFTS: can not compute core contributions for atomic type:   4
          CORE CONTRIBUTION TO SHIELDING AND SUSCEPTIBILITY ARE INCORRECT

 --------------------------------------------------------------------------
  Core NMR properties        

  typ  El   Core shift (ppm)
 ----------------------------
    1  H        0.0000000
    2  C        0.0000000
    3  O        0.0000000
    4  Mg       0.0000000
 ----------------------------

  Core contribution to magnetic susceptibility:      0.00  10^-6 cm^3/mole
 --------------------------------------------------------------------------
 
 
 ---------------------------------------------------------------------------------
  CSA tensor (J. Mason, Solid State Nucl. Magn. Reson. 2, 285 (1993))             
 ---------------------------------------------------------------------------------
             EXCLUDING G=0 CONTRIBUTION             INCLUDING G=0 CONTRIBUTION    
         -----------------------------------   -----------------------------------
  ATOM    ISO_SHIFT        SPAN        SKEW     ISO_SHIFT        SPAN        SKEW 
 ---------------------------------------------------------------------------------
  (absolute, valence only)                                                                  
     1     -24.5779     12.6567      0.9703      -32.1706     12.5100      0.9757
     2     -13.5957     31.6548      0.8193      -21.1883     31.7140      0.8236
     3     -20.5314     16.3076      0.8295      -28.1241     16.2183      0.8348
     4     -14.3752     32.3652      0.8052      -21.9679     32.3875      0.8051
     5     -17.7260     29.7990      0.8508      -25.3187     29.8611      0.8514
     6     -24.5781     12.6547      0.9706      -32.1708     12.5082      0.9759
     7     -13.6067     31.6297      0.8190      -21.1994     31.6890      0.8232
     8     -20.5278     16.3104      0.8291      -28.1205     16.2210      0.8344
     9     -14.3804     32.3598      0.8051      -21.9730     32.3820      0.8050
    10     -17.7247     29.8038      0.8507      -25.3174     29.8659      0.8513
    11     -24.5785     12.6573      0.9703      -32.1712     12.5107      0.9756
    12     -13.5932     31.6563      0.8194      -21.1859     31.7155      0.8237
    13     -20.5309     16.3067      0.8296      -28.1236     16.2174      0.8349
    14     -14.3767     32.3630      0.8051      -21.9693     32.3853      0.8050
    15     -17.7259     29.7973      0.8508      -25.3185     29.8594      0.8513
    16     -24.5782     12.6536      0.9707      -32.1709     12.5071      0.9759
    17     -13.6037     31.6322      0.8190      -21.1963     31.6914      0.8233
    18     -20.5291     16.3099      0.8291      -28.1218     16.2205      0.8344
    19     -14.3783     32.3549      0.8050      -21.9709     32.3771      0.8049
    20     -17.7242     29.7998      0.8507      -25.3169     29.8618      0.8512
    21     199.5901     69.5526      0.6318      191.9974     69.5232      0.6342
    22     202.6735     68.1974      0.8299      195.0808     68.1830      0.8330
    23     199.6315     69.6053      0.6305      192.0389     69.5762      0.6329
    24     202.6770     68.1899      0.8306      195.0844     68.1756      0.8336
    25     199.5976     69.5583      0.6315      192.0050     69.5289      0.6339
    26     202.6840     68.2002      0.8300      195.0913     68.1859      0.8330
    27     199.6164     69.5941      0.6309      192.0237     69.5650      0.6333
    28     202.6715     68.1876      0.8306      195.0788     68.1733      0.8337
    29      16.9361     35.7868      0.8595        9.3434     35.6278      0.8621
    30      17.4936     37.1158      0.2055        9.9009     37.2192      0.2044
    31       6.5858     63.8298      0.3454       -1.0069     63.9222      0.3424
    32     201.2482    206.9589     -0.0436      193.6555    206.9345     -0.0431
    33     203.2600    203.0576     -0.0960      195.6674    203.0553     -0.0959
    34     166.8347    202.4659     -0.5347      159.2420    202.5372     -0.5351
    35     206.1329    233.6978     -0.2331      198.5402    233.6797     -0.2322
    36     190.2416    205.5346     -0.1912      182.6489    205.5911     -0.1913
    37     194.1215    211.3941     -0.1482      186.5288    211.4696     -0.1485
    38      16.9345     35.7734      0.8607        9.3418     35.6145      0.8633
    39      17.4971     37.0795      0.2047        9.9045     37.1826      0.2036
    40       6.5769     63.7980      0.3459       -1.0158     63.8903      0.3430
    41     201.2756    207.0125     -0.0439      193.6830    206.9885     -0.0435
    42     203.3299    203.0857     -0.0962      195.7372    203.0837     -0.0961
    43     166.9751    202.5386     -0.5352      159.3824    202.6103     -0.5356
    44     206.1260    233.6887     -0.2336      198.5333    233.6706     -0.2327
    45     190.2643    205.5460     -0.1913      182.6716    205.6024     -0.1914
    46     194.1322    211.4264     -0.1474      186.5395    211.5020     -0.1477
    47      16.9277     35.7785      0.8598        9.3350     35.6196      0.8624
    48      17.5016     37.1194      0.2049        9.9089     37.2228      0.2038
    49       6.5863     63.8239      0.3454       -1.0063     63.9163      0.3425
    50     201.2322    206.9841     -0.0436      193.6395    206.9596     -0.0432
    51     203.3064    203.0720     -0.0959      195.7137    203.0697     -0.0957
    52     166.8633    202.4718     -0.5351      159.2707    202.5430     -0.5355
    53     206.1511    233.7263     -0.2333      198.5584    233.7083     -0.2323
    54     190.2560    205.5377     -0.1913      182.6633    205.5942     -0.1914
    55     194.1545    211.4147     -0.1482      186.5618    211.4903     -0.1485
    56      16.9327     35.7620      0.8621        9.3401     35.6031      0.8647
    57      17.5046     37.0847      0.2053        9.9119     37.1879      0.2041
    58       6.5923     63.8011      0.3458       -1.0004     63.8934      0.3428
    59     201.2075    206.9847     -0.0436      193.6149    206.9608     -0.0432
    60     203.3153    203.0401     -0.0965      195.7226    203.0381     -0.0964
    61     166.9465    202.5212     -0.5348      159.3538    202.5929     -0.5352
    62     206.0930    233.6655     -0.2338      198.5003    233.6474     -0.2328
    63     190.2550    205.5333     -0.1914      182.6624    205.5898     -0.1914
    64     194.1271    211.4261     -0.1472      186.5344    211.5017     -0.1475
    65    -140.7000     17.5267      0.4471     -148.2926     17.4942      0.4550
    66    -140.3165     19.9973      0.5104     -147.9092     20.0153      0.5166
    67    -140.6990     17.4974      0.4487     -148.2917     17.4645      0.4567
    68    -140.3124     19.9929      0.5088     -147.9051     20.0108      0.5150
    69    -140.6998     17.5454      0.4472     -148.2924     17.5129      0.4552
    70    -140.3142     19.9748      0.5101     -147.9069     19.9927      0.5163
    71    -140.6943     17.4837      0.4463     -148.2870     17.4511      0.4542
    72    -140.3282     19.9890      0.5089     -147.9209     20.0069      0.5152
    73    -141.8498     26.4995      0.7077     -149.4424     26.6228      0.6991
    74    -141.8488     26.5493      0.7083     -149.4414     26.6725      0.6998
 ---------------------------------------------------------------------------------
  (absolute, valence and core)                                                                  
     1     -24.5779     12.6567      0.9703      -32.1706     12.5100      0.9757
     2     -13.5957     31.6548      0.8193      -21.1883     31.7140      0.8236
     3     -20.5314     16.3076      0.8295      -28.1241     16.2183      0.8348
     4     -14.3752     32.3652      0.8052      -21.9679     32.3875      0.8051
     5     -17.7260     29.7990      0.8508      -25.3187     29.8611      0.8514
     6     -24.5781     12.6547      0.9706      -32.1708     12.5082      0.9759
     7     -13.6067     31.6297      0.8190      -21.1994     31.6890      0.8232
     8     -20.5278     16.3104      0.8291      -28.1205     16.2210      0.8344
     9     -14.3804     32.3598      0.8051      -21.9730     32.3820      0.8050
    10     -17.7247     29.8038      0.8507      -25.3174     29.8659      0.8513
    11     -24.5785     12.6573      0.9703      -32.1712     12.5107      0.9756
    12     -13.5932     31.6563      0.8194      -21.1859     31.7155      0.8237
    13     -20.5309     16.3067      0.8296      -28.1236     16.2174      0.8349
    14     -14.3767     32.3630      0.8051      -21.9693     32.3853      0.8050
    15     -17.7259     29.7973      0.8508      -25.3185     29.8594      0.8513
    16     -24.5782     12.6536      0.9707      -32.1709     12.5071      0.9759
    17     -13.6037     31.6322      0.8190      -21.1963     31.6914      0.8233
    18     -20.5291     16.3099      0.8291      -28.1218     16.2205      0.8344
    19     -14.3783     32.3549      0.8050      -21.9709     32.3771      0.8049
    20     -17.7242     29.7998      0.8507      -25.3169     29.8618      0.8512
    21     199.5901     69.5526      0.6318      191.9974     69.5232      0.6342
    22     202.6735     68.1974      0.8299      195.0808     68.1830      0.8330
    23     199.6315     69.6053      0.6305      192.0389     69.5762      0.6329
    24     202.6770     68.1899      0.8306      195.0844     68.1756      0.8336
    25     199.5976     69.5583      0.6315      192.0050     69.5289      0.6339
    26     202.6840     68.2002      0.8300      195.0913     68.1859      0.8330
    27     199.6164     69.5941      0.6309      192.0237     69.5650      0.6333
    28     202.6715     68.1876      0.8306      195.0788     68.1733      0.8337
    29      16.9361     35.7868      0.8595        9.3434     35.6278      0.8621
    30      17.4936     37.1158      0.2055        9.9009     37.2192      0.2044
    31       6.5858     63.8298      0.3454       -1.0069     63.9222      0.3424
    32     201.2482    206.9589     -0.0436      193.6555    206.9345     -0.0431
    33     203.2600    203.0576     -0.0960      195.6674    203.0553     -0.0959
    34     166.8347    202.4659     -0.5347      159.2420    202.5372     -0.5351
    35     206.1329    233.6978     -0.2331      198.5402    233.6797     -0.2322
    36     190.2416    205.5346     -0.1912      182.6489    205.5911     -0.1913
    37     194.1215    211.3941     -0.1482      186.5288    211.4696     -0.1485
    38      16.9345     35.7734      0.8607        9.3418     35.6145      0.8633
    39      17.4971     37.0795      0.2047        9.9045     37.1826      0.2036
    40       6.5769     63.7980      0.3459       -1.0158     63.8903      0.3430
    41     201.2756    207.0125     -0.0439      193.6830    206.9885     -0.0435
    42     203.3299    203.0857     -0.0962      195.7372    203.0837     -0.0961
    43     166.9751    202.5386     -0.5352      159.3824    202.6103     -0.5356
    44     206.1260    233.6887     -0.2336      198.5333    233.6706     -0.2327
    45     190.2643    205.5460     -0.1913      182.6716    205.6024     -0.1914
    46     194.1322    211.4264     -0.1474      186.5395    211.5020     -0.1477
    47      16.9277     35.7785      0.8598        9.3350     35.6196      0.8624
    48      17.5016     37.1194      0.2049        9.9089     37.2228      0.2038
    49       6.5863     63.8239      0.3454       -1.0063     63.9163      0.3425
    50     201.2322    206.9841     -0.0436      193.6395    206.9596     -0.0432
    51     203.3064    203.0720     -0.0959      195.7137    203.0697     -0.0957
    52     166.8633    202.4718     -0.5351      159.2707    202.5430     -0.5355
    53     206.1511    233.7263     -0.2333      198.5584    233.7083     -0.2323
    54     190.2560    205.5377     -0.1913      182.6633    205.5942     -0.1914
    55     194.1545    211.4147     -0.1482      186.5618    211.4903     -0.1485
    56      16.9327     35.7620      0.8621        9.3401     35.6031      0.8647
    57      17.5046     37.0847      0.2053        9.9119     37.1879      0.2041
    58       6.5923     63.8011      0.3458       -1.0004     63.8934      0.3428
    59     201.2075    206.9847     -0.0436      193.6149    206.9608     -0.0432
    60     203.3153    203.0401     -0.0965      195.7226    203.0381     -0.0964
    61     166.9465    202.5212     -0.5348      159.3538    202.5929     -0.5352
    62     206.0930    233.6655     -0.2338      198.5003    233.6474     -0.2328
    63     190.2550    205.5333     -0.1914      182.6624    205.5898     -0.1914
    64     194.1271    211.4261     -0.1472      186.5344    211.5017     -0.1475
    65    -140.7000     17.5267      0.4471     -148.2926     17.4942      0.4550
    66    -140.3165     19.9973      0.5104     -147.9092     20.0153      0.5166
    67    -140.6990     17.4974      0.4487     -148.2917     17.4645      0.4567
    68    -140.3124     19.9929      0.5088     -147.9051     20.0108      0.5150
    69    -140.6998     17.5454      0.4472     -148.2924     17.5129      0.4552
    70    -140.3142     19.9748      0.5101     -147.9069     19.9927      0.5163
    71    -140.6943     17.4837      0.4463     -148.2870     17.4511      0.4542
    72    -140.3282     19.9890      0.5089     -147.9209     20.0069      0.5152
    73    -141.8498     26.4995      0.7077     -149.4424     26.6228      0.6991
    74    -141.8488     26.5493      0.7083     -149.4414     26.6725      0.6998
 ---------------------------------------------------------------------------------
  IF SPAN.EQ.0, THEN SKEW IS ILL-DEFINED                                          
 ---------------------------------------------------------------------------------
 
 
     LOOP+:  cpu time**********: real time**********
    4ORBIT:  cpu time    0.0000: real time    0.0000
 BZINTS: Fermi energy:  0.571272;368.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000

 total amount of memory used by VASP on root node   877040. kBytes
========================================================================

   base      :      30000. kBytes
   nonlr-proj:      27346. kBytes
   fftplans  :      10625. kBytes
   grid      :      62014. kBytes
   one-center:        600. kBytes
   wavefun   :     746455. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):   111260.164
                            User time (sec):   110665.216
                          System time (sec):      594.945
                         Elapsed time (sec):   111337.295
  
                   Maximum memory used (kb):     6193056.
                   Average memory used (kb):           0.
  
                          Minor page faults:    166860400
                          Major page faults:           25
                 Voluntary context switches:       208396
