 vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Aug 01 2018 12:10:22) complex          
  
 executed on        TETRALITH-B01 date 2021.09.25  19:16:53
 running on   32 total cores
 distrk:  each k-point on   16 cores,    2 groups
 distr:  one band on NCORES_PER_BAND=   8 cores,    2 groups


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


 INCAR:
 POTCAR:    PAW_PBE C 08Apr2002                   
 POTCAR:    PAW_PBE H 15Jun2001                   
 POTCAR:    PAW_PBE N 08Apr2002                   

 ----------------------------------------------------------------------------- 
|                                                                             |
|           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 C 08Apr2002                   
   VRHFIN =C: s2p2                                                              
   LEXCH  = PE                                                                  
   EATOM  =   147.1560 eV,   10.8157 Ry                                         
                                                                                
   TITEL  = PAW_PBE C 08Apr2002                                                 
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    1.200    partial core radius                                     
   POMASS =   12.011; ZVAL   =    4.000    mass and valenz                      
   RCORE  =    1.500    outmost cutoff radius                                   
   RWIGS  =    1.630; RWIGS  =    0.863    wigner-seitz radius (au A)           
   ENMAX  =  400.000; ENMIN  =  300.000 eV                                      
   ICORE  =        2    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  644.873                                                            
   DEXC   =    0.000                                                            
   RMAX   =    1.529    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.501    radius for radial grids                                 
   RDEPT  =    1.300    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    4 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50      -273.3789   2.0000                                         
     2  0  0.50       -13.7508   2.0000                                         
     2  1  0.50        -5.2854   2.0000                                         
     3  2  1.50        -5.4423   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -13.7508458     23  1.200                                             
     0     -8.2022199     23  1.200                                             
     1     -5.2854383     23  1.500                                             
     1     34.0145650     23  1.500                                             
     2     -5.4423304      7  1.500                                             
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density 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 H 15Jun2001                   
   VRHFIN =H: ultrasoft test                                                    
   LEXCH  = PE                                                                  
   EATOM  =    12.4884 eV,    0.9179 Ry                                         
                                                                                
   TITEL  = PAW_PBE H 15Jun2001                                                 
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        0    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    0.000    partial core radius                                     
   POMASS =    1.000; ZVAL   =    1.000    mass and valenz                      
   RCORE  =    1.100    outmost cutoff radius                                   
   RWIGS  =    0.700; RWIGS  =    0.370    wigner-seitz radius (au A)           
   ENMAX  =  250.000; ENMIN  =  200.000 eV                                      
   RCLOC  =    0.701    cutoff for local pot                                    
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  400.000                                                            
   RMAX   =    1.123    core radius for proj-oper                               
   RAUG   =    1.200    factor for augmentation sphere                          
   RDEP   =    1.112    radius for radial grids                                 
   RDEPT  =    0.926    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    2 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50        -6.4927   1.0000                                         
     2  1  0.50        -3.4015   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0     -6.4927494     23  1.100                                             
     0      6.8029130     23  1.100                                             
     1     -4.0817478     23  1.100                                             
  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 N 08Apr2002                   
   VRHFIN =N: s2p3                                                              
   LEXCH  = PE                                                                  
   EATOM  =   264.5486 eV,   19.4438 Ry                                         
                                                                                
   TITEL  = PAW_PBE N 08Apr2002                                                 
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    1.200    partial core radius                                     
   POMASS =   14.001; ZVAL   =    5.000    mass and valenz                      
   RCORE  =    1.500    outmost cutoff radius                                   
   RWIGS  =    1.400; RWIGS  =    0.741    wigner-seitz radius (au A)           
   ENMAX  =  400.000; ENMIN  =  300.000 eV                                      
   ICORE  =        2    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  627.112                                                            
   DEXC   =    0.000                                                            
   RMAX   =    1.529    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.514    radius for radial grids                                 
   RDEPT  =    1.338    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    4 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50      -384.7179   2.0000                                         
     2  0  0.50       -18.5828   2.0000                                         
     2  1  0.50        -7.0898   3.0000                                         
     3  2  1.50        -6.8029   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -18.5828119     23  1.200                                             
     0    -13.5018863     23  1.200                                             
     1     -7.0897853     23  1.500                                             
     1      9.5240782     23  1.500                                             
     2     -6.8029130      7  1.500                                             
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density 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
 
  PAW_PBE C 08Apr2002                   :
 energy of atom  1       EATOM= -147.1560
 kinetic energy error for atom=    0.0016 (will be added to EATOM!!)
  PAW_PBE H 15Jun2001                   :
 energy of atom  2       EATOM=  -12.4884
 kinetic energy error for atom=    0.0002 (will be added to EATOM!!)
  PAW_PBE N 08Apr2002                   :
 energy of atom  3       EATOM= -264.5486
 kinetic energy error for atom=    0.0029 (will be added to EATOM!!)
 
 
 POSCAR: findsym-output                          
  positions in cartesian coordinates
  No initial velocities read in
 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  0.576  0.900  0.984-   5 1.12  12 1.45   9 1.47  10 1.48
   2  0.076  0.076  0.024-   6 1.12  11 1.45  10 1.47   9 1.48
   3  0.576  0.400  0.024-   7 1.12  10 1.45  11 1.47  12 1.48
   4  0.076  0.576  0.984-   8 1.12   9 1.45  12 1.47  11 1.48
   5  0.653  0.999  0.951-   1 1.12
   6  0.153  0.977  0.057-   2 1.12
   7  0.653  0.499  0.057-   3 1.12
   8  0.152  0.477  0.951-   4 1.12
   9  0.209  0.890  0.987-   4 1.45   1 1.47   2 1.48
  10  0.709  0.086  0.022-   3 1.45   2 1.47   1 1.48
  11  0.209  0.390  0.022-   2 1.45   3 1.47   4 1.48
  12  0.709  0.586  0.987-   1 1.45   4 1.47   3 1.48
 
  LATTYP: Found a simple orthorhombic cell.
 ALAT       =     4.0010948181
 B/A-ratio  =     1.0768179439
 C/A-ratio  =     7.4979477778
  
  Lattice vectors:
  
 A1 = (   4.0010948181,   0.0000000000,   0.0000000000)
 A2 = (   0.0000000000,   4.3084506953,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,  30.0000000000)


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 
 simple orthorhombic supercell.


 Subroutine GETGRP returns: Found  1 space group operations
 (whereof  1 operations were pure point group operations)
 out of a pool of  8 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 
 simple orthorhombic supercell.


 Subroutine GETGRP returns: Found  1 space group operations
 (whereof  1 operations were pure point group operations)
 out of a pool of  8 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

 
 

Automatic generation of k-mesh.
 generate k-points for:   23   21    3
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    725 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.043478  0.000000  0.000000      2.000000
  0.086957  0.000000  0.000000      2.000000
  0.130435  0.000000  0.000000      2.000000
  0.173913  0.000000  0.000000      2.000000
  0.217391  0.000000  0.000000      2.000000
  0.260870  0.000000  0.000000      2.000000
  0.304348  0.000000  0.000000      2.000000
  0.347826  0.000000  0.000000      2.000000
  0.391304  0.000000  0.000000      2.000000
  0.434783  0.000000  0.000000      2.000000
  0.478261  0.000000  0.000000      2.000000
  0.000000  0.047619  0.000000      2.000000
  0.043478  0.047619  0.000000      2.000000
  0.086957  0.047619  0.000000      2.000000
  0.130435  0.047619  0.000000      2.000000
  0.173913  0.047619  0.000000      2.000000
  0.217391  0.047619  0.000000      2.000000
  0.260870  0.047619  0.000000      2.000000
  0.304348  0.047619  0.000000      2.000000
  0.347826  0.047619  0.000000      2.000000
  0.391304  0.047619  0.000000      2.000000
  0.434783  0.047619  0.000000      2.000000
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 -0.391304  0.047619  0.000000      2.000000
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 -0.086957  0.047619  0.000000      2.000000
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  0.000000  0.095238  0.000000      2.000000
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  0.260870  0.095238  0.000000      2.000000
  0.304348  0.095238  0.000000      2.000000
  0.347826  0.095238  0.000000      2.000000
  0.391304  0.095238  0.000000      2.000000
  0.434783  0.095238  0.000000      2.000000
  0.478261  0.095238  0.000000      2.000000
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 -0.434783  0.095238  0.000000      2.000000
 -0.391304  0.095238  0.000000      2.000000
 -0.347826  0.095238  0.000000      2.000000
 -0.304348  0.095238  0.000000      2.000000
 -0.260870  0.095238  0.000000      2.000000
 -0.217391  0.095238  0.000000      2.000000
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 -0.043478  0.095238  0.000000      2.000000
  0.000000  0.142857  0.000000      2.000000
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  0.173913  0.142857  0.000000      2.000000
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  0.260870  0.142857  0.000000      2.000000
  0.304348  0.142857  0.000000      2.000000
  0.347826  0.142857  0.000000      2.000000
  0.391304  0.142857  0.000000      2.000000
  0.434783  0.142857  0.000000      2.000000
  0.478261  0.142857  0.000000      2.000000
 -0.478261  0.142857  0.000000      2.000000
 -0.434783  0.142857  0.000000      2.000000
 -0.391304  0.142857  0.000000      2.000000
 -0.347826  0.142857  0.000000      2.000000
 -0.304348  0.142857  0.000000      2.000000
 -0.260870  0.142857  0.000000      2.000000
 -0.217391  0.142857  0.000000      2.000000
 -0.173913  0.142857  0.000000      2.000000
 -0.130435  0.142857  0.000000      2.000000
 -0.086957  0.142857  0.000000      2.000000
 -0.043478  0.142857  0.000000      2.000000
  0.000000  0.190476  0.000000      2.000000
  0.043478  0.190476  0.000000      2.000000
  0.086957  0.190476  0.000000      2.000000
  0.130435  0.190476  0.000000      2.000000
  0.173913  0.190476  0.000000      2.000000
  0.217391  0.190476  0.000000      2.000000
  0.260870  0.190476  0.000000      2.000000
  0.304348  0.190476  0.000000      2.000000
  0.347826  0.190476  0.000000      2.000000
  0.391304  0.190476  0.000000      2.000000
  0.434783  0.190476  0.000000      2.000000
  0.478261  0.190476  0.000000      2.000000
 -0.478261  0.190476  0.000000      2.000000
 -0.434783  0.190476  0.000000      2.000000
 -0.391304  0.190476  0.000000      2.000000
 -0.347826  0.190476  0.000000      2.000000
 -0.304348  0.190476  0.000000      2.000000
 -0.260870  0.190476  0.000000      2.000000
 -0.217391  0.190476  0.000000      2.000000
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 -0.130435  0.190476  0.000000      2.000000
 -0.086957  0.190476  0.000000      2.000000
 -0.043478  0.190476  0.000000      2.000000
  0.000000  0.238095  0.000000      2.000000
  0.043478  0.238095  0.000000      2.000000
  0.086957  0.238095  0.000000      2.000000
  0.130435  0.238095  0.000000      2.000000
  0.173913  0.238095  0.000000      2.000000
  0.217391  0.238095  0.000000      2.000000
  0.260870  0.238095  0.000000      2.000000
  0.304348  0.238095  0.000000      2.000000
  0.347826  0.238095  0.000000      2.000000
  0.391304  0.238095  0.000000      2.000000
  0.434783  0.238095  0.000000      2.000000
  0.478261  0.238095  0.000000      2.000000
 -0.478261  0.238095  0.000000      2.000000
 -0.434783  0.238095  0.000000      2.000000
 -0.391304  0.238095  0.000000      2.000000
 -0.347826  0.238095  0.000000      2.000000
 -0.304348  0.238095  0.000000      2.000000
 -0.260870  0.238095  0.000000      2.000000
 -0.217391  0.238095  0.000000      2.000000
 -0.173913  0.238095  0.000000      2.000000
 -0.130435  0.238095  0.000000      2.000000
 -0.086957  0.238095  0.000000      2.000000
 -0.043478  0.238095  0.000000      2.000000
  0.000000  0.285714  0.000000      2.000000
  0.043478  0.285714  0.000000      2.000000
  0.086957  0.285714  0.000000      2.000000
  0.130435  0.285714  0.000000      2.000000
  0.173913  0.285714  0.000000      2.000000
  0.217391  0.285714  0.000000      2.000000
  0.260870  0.285714  0.000000      2.000000
  0.304348  0.285714  0.000000      2.000000
  0.347826  0.285714  0.000000      2.000000
  0.391304  0.285714  0.000000      2.000000
  0.434783  0.285714  0.000000      2.000000
  0.478261  0.285714  0.000000      2.000000
 -0.478261  0.285714  0.000000      2.000000
 -0.434783  0.285714  0.000000      2.000000
 -0.391304  0.285714  0.000000      2.000000
 -0.347826  0.285714  0.000000      2.000000
 -0.304348  0.285714  0.000000      2.000000
 -0.260870  0.285714  0.000000      2.000000
 -0.217391  0.285714  0.000000      2.000000
 -0.173913  0.285714  0.000000      2.000000
 -0.130435  0.285714  0.000000      2.000000
 -0.086957  0.285714  0.000000      2.000000
 -0.043478  0.285714  0.000000      2.000000
  0.000000  0.333333  0.000000      2.000000
  0.043478  0.333333  0.000000      2.000000
  0.086957  0.333333  0.000000      2.000000
  0.130435  0.333333  0.000000      2.000000
  0.173913  0.333333  0.000000      2.000000
  0.217391  0.333333  0.000000      2.000000
  0.260870  0.333333  0.000000      2.000000
  0.304348  0.333333  0.000000      2.000000
  0.347826  0.333333  0.000000      2.000000
  0.391304  0.333333  0.000000      2.000000
  0.434783  0.333333  0.000000      2.000000
  0.478261  0.333333  0.000000      2.000000
 -0.478261  0.333333  0.000000      2.000000
 -0.434783  0.333333  0.000000      2.000000
 -0.391304  0.333333  0.000000      2.000000
 -0.347826  0.333333  0.000000      2.000000
 -0.304348  0.333333  0.000000      2.000000
 -0.260870  0.333333  0.000000      2.000000
 -0.217391  0.333333  0.000000      2.000000
 -0.173913  0.333333  0.000000      2.000000
 -0.130435  0.333333  0.000000      2.000000
 -0.086957  0.333333  0.000000      2.000000
 -0.043478  0.333333  0.000000      2.000000
  0.000000  0.380952  0.000000      2.000000
  0.043478  0.380952  0.000000      2.000000
  0.086957  0.380952  0.000000      2.000000
  0.130435  0.380952  0.000000      2.000000
  0.173913  0.380952  0.000000      2.000000
  0.217391  0.380952  0.000000      2.000000
  0.260870  0.380952  0.000000      2.000000
  0.304348  0.380952  0.000000      2.000000
  0.347826  0.380952  0.000000      2.000000
  0.391304  0.380952  0.000000      2.000000
  0.434783  0.380952  0.000000      2.000000
  0.478261  0.380952  0.000000      2.000000
 -0.478261  0.380952  0.000000      2.000000
 -0.434783  0.380952  0.000000      2.000000
 -0.391304  0.380952  0.000000      2.000000
 -0.347826  0.380952  0.000000      2.000000
 -0.304348  0.380952  0.000000      2.000000
 -0.260870  0.380952  0.000000      2.000000
 -0.217391  0.380952  0.000000      2.000000
 -0.173913  0.380952  0.000000      2.000000
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 -0.010867 -0.066315  0.011111      2.000000
  0.000000 -0.055262  0.011111      2.000000
  0.010867 -0.055262  0.011111      2.000000
  0.021733 -0.055262  0.011111      2.000000
  0.032600 -0.055262  0.011111      2.000000
  0.043466 -0.055262  0.011111      2.000000
  0.054333 -0.055262  0.011111      2.000000
  0.065200 -0.055262  0.011111      2.000000
  0.076066 -0.055262  0.011111      2.000000
  0.086933 -0.055262  0.011111      2.000000
  0.097799 -0.055262  0.011111      2.000000
  0.108666 -0.055262  0.011111      2.000000
  0.119533 -0.055262  0.011111      2.000000
 -0.119533 -0.055262  0.011111      2.000000
 -0.108666 -0.055262  0.011111      2.000000
 -0.097799 -0.055262  0.011111      2.000000
 -0.086933 -0.055262  0.011111      2.000000
 -0.076066 -0.055262  0.011111      2.000000
 -0.065200 -0.055262  0.011111      2.000000
 -0.054333 -0.055262  0.011111      2.000000
 -0.043466 -0.055262  0.011111      2.000000
 -0.032600 -0.055262  0.011111      2.000000
 -0.021733 -0.055262  0.011111      2.000000
 -0.010867 -0.055262  0.011111      2.000000
  0.000000 -0.044210  0.011111      2.000000
  0.010867 -0.044210  0.011111      2.000000
  0.021733 -0.044210  0.011111      2.000000
  0.032600 -0.044210  0.011111      2.000000
  0.043466 -0.044210  0.011111      2.000000
  0.054333 -0.044210  0.011111      2.000000
  0.065200 -0.044210  0.011111      2.000000
  0.076066 -0.044210  0.011111      2.000000
  0.086933 -0.044210  0.011111      2.000000
  0.097799 -0.044210  0.011111      2.000000
  0.108666 -0.044210  0.011111      2.000000
  0.119533 -0.044210  0.011111      2.000000
 -0.119533 -0.044210  0.011111      2.000000
 -0.108666 -0.044210  0.011111      2.000000
 -0.097799 -0.044210  0.011111      2.000000
 -0.086933 -0.044210  0.011111      2.000000
 -0.076066 -0.044210  0.011111      2.000000
 -0.065200 -0.044210  0.011111      2.000000
 -0.054333 -0.044210  0.011111      2.000000
 -0.043466 -0.044210  0.011111      2.000000
 -0.032600 -0.044210  0.011111      2.000000
 -0.021733 -0.044210  0.011111      2.000000
 -0.010867 -0.044210  0.011111      2.000000
  0.000000 -0.033157  0.011111      2.000000
  0.010867 -0.033157  0.011111      2.000000
  0.021733 -0.033157  0.011111      2.000000
  0.032600 -0.033157  0.011111      2.000000
  0.043466 -0.033157  0.011111      2.000000
  0.054333 -0.033157  0.011111      2.000000
  0.065200 -0.033157  0.011111      2.000000
  0.076066 -0.033157  0.011111      2.000000
  0.086933 -0.033157  0.011111      2.000000
  0.097799 -0.033157  0.011111      2.000000
  0.108666 -0.033157  0.011111      2.000000
  0.119533 -0.033157  0.011111      2.000000
 -0.119533 -0.033157  0.011111      2.000000
 -0.108666 -0.033157  0.011111      2.000000
 -0.097799 -0.033157  0.011111      2.000000
 -0.086933 -0.033157  0.011111      2.000000
 -0.076066 -0.033157  0.011111      2.000000
 -0.065200 -0.033157  0.011111      2.000000
 -0.054333 -0.033157  0.011111      2.000000
 -0.043466 -0.033157  0.011111      2.000000
 -0.032600 -0.033157  0.011111      2.000000
 -0.021733 -0.033157  0.011111      2.000000
 -0.010867 -0.033157  0.011111      2.000000
  0.000000 -0.022105  0.011111      2.000000
  0.010867 -0.022105  0.011111      2.000000
  0.021733 -0.022105  0.011111      2.000000
  0.032600 -0.022105  0.011111      2.000000
  0.043466 -0.022105  0.011111      2.000000
  0.054333 -0.022105  0.011111      2.000000
  0.065200 -0.022105  0.011111      2.000000
  0.076066 -0.022105  0.011111      2.000000
  0.086933 -0.022105  0.011111      2.000000
  0.097799 -0.022105  0.011111      2.000000
  0.108666 -0.022105  0.011111      2.000000
  0.119533 -0.022105  0.011111      2.000000
 -0.119533 -0.022105  0.011111      2.000000
 -0.108666 -0.022105  0.011111      2.000000
 -0.097799 -0.022105  0.011111      2.000000
 -0.086933 -0.022105  0.011111      2.000000
 -0.076066 -0.022105  0.011111      2.000000
 -0.065200 -0.022105  0.011111      2.000000
 -0.054333 -0.022105  0.011111      2.000000
 -0.043466 -0.022105  0.011111      2.000000
 -0.032600 -0.022105  0.011111      2.000000
 -0.021733 -0.022105  0.011111      2.000000
 -0.010867 -0.022105  0.011111      2.000000
  0.000000 -0.011052  0.011111      2.000000
  0.010867 -0.011052  0.011111      2.000000
  0.021733 -0.011052  0.011111      2.000000
  0.032600 -0.011052  0.011111      2.000000
  0.043466 -0.011052  0.011111      2.000000
  0.054333 -0.011052  0.011111      2.000000
  0.065200 -0.011052  0.011111      2.000000
  0.076066 -0.011052  0.011111      2.000000
  0.086933 -0.011052  0.011111      2.000000
  0.097799 -0.011052  0.011111      2.000000
  0.108666 -0.011052  0.011111      2.000000
  0.119533 -0.011052  0.011111      2.000000
 -0.119533 -0.011052  0.011111      2.000000
 -0.108666 -0.011052  0.011111      2.000000
 -0.097799 -0.011052  0.011111      2.000000
 -0.086933 -0.011052  0.011111      2.000000
 -0.076066 -0.011052  0.011111      2.000000
 -0.065200 -0.011052  0.011111      2.000000
 -0.054333 -0.011052  0.011111      2.000000
 -0.043466 -0.011052  0.011111      2.000000
 -0.032600 -0.011052  0.011111      2.000000
 -0.021733 -0.011052  0.011111      2.000000
 -0.010867 -0.011052  0.011111      2.000000
 


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




 Dimension of arrays:
   k-points           NKPTS =    725   k-points in BZ     NKDIM =    725   number of bands    NBANDS=     28
   number of dos      NEDOS =    301   number of ions     NIONS =     12
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV = 448000
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  10858
   dimension x,y,z NGX =    40 NGY =   40 NGZ =  280
   dimension x,y,z NGXF=    80 NGYF=   80 NGZF=  560
   support grid    NGXF=    80 NGYF=   80 NGZF=  560
   ions per type =               4   4   4
   NGX,Y,Z   is equivalent  to a cutoff of  16.62, 15.43, 15.52 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  33.24, 30.87, 31.03 a.u.

 SYSTEM =  local optimisation                      
 POSCAR =  findsym-output                          

 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  =  800.0 eV  58.80 Ry    7.67 a.u.   9.23  9.94 69.19*2*pi/ulx,y,z
   ENINI  =  800.0     initial cutoff
   ENAUG  =  644.9 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  2; NELMDL= -5     # of ELM steps 
   EDIFF  = 0.1E-07   stopping-criterion for ELM
   LREAL  =      F    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   =    0.00000   0.00000   0.00000
 Ionic relaxation
   EDIFFG = 0.1E-06   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   =      3    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=  -0.366E-27a.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 =  12.01  1.00 14.00
  Ionic Valenz
   ZVAL   =   4.00  1.00  5.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00 -1.00 -1.00
  virtual crystal weights 
   VCA    =   1.00  1.00  1.00
   NELECT =      40.0000    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 =     0;   SIGMA  =   0.01  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 =  0.89E-10  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      43.10       290.83
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.697516  1.318115  6.619631  0.486529
  Thomas-Fermi vector in A             =   1.780865
 
 Write flags
   LWAVE        =      F    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of 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), +10 PAW based schemes


 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
  (WPLASMAI=    0.000 imaginary part of plasma frequency in eV, 0.658/RTIME)
   DFIELD  = 0.0000000 0.0000000 0.0000000 field for delta impulse in time
 
 Orbital magnetization related:
   ORBITALMAG=     F  switch on orbital magnetization
   LCHIMAG   =     F  perturbation theory with respect to B field
   DQ        =  0.001000  dq finite difference perturbation B field
   LLRAUG    =     F  two centre corrections for induced 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            8
 reciprocal 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)
 Gauss-broadening in eV      SIGMA  =   0.01


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


  energy-cutoff  :      800.00
  volume of cell :      517.16
      direct lattice vectors                 reciprocal lattice vectors
     4.001094818  0.000000000  0.000000000     0.249931593  0.000000000  0.000000000
     0.000000000  4.308450695  0.000000000     0.000000000  0.232101995  0.000000000
     0.000000000  0.000000000 30.000000000     0.000000000  0.000000000  0.033333333

  length of vectors
     4.001094818  4.308450695 30.000000000     0.249931593  0.232101995  0.033333333


 
 k-points in units of 2pi/SCALE and weight: read from INCAR                         
   0.00000000  0.00000000  0.00000000       0.001
   0.01086659  0.00000000  0.00000000       0.001
   0.02173318  0.00000000  0.00000000       0.001
   0.03259977  0.00000000  0.00000000       0.001
   0.04346636  0.00000000  0.00000000       0.001
   0.05433295  0.00000000  0.00000000       0.001
   0.06519955  0.00000000  0.00000000       0.001
   0.07606614  0.00000000  0.00000000       0.001
   0.08693273  0.00000000  0.00000000       0.001
   0.09779932  0.00000000  0.00000000       0.001
   0.10866591  0.00000000  0.00000000       0.001
   0.11953250  0.00000000  0.00000000       0.001
   0.00000000  0.01105248  0.00000000       0.001
   0.01086659  0.01105248  0.00000000       0.001
   0.02173318  0.01105248  0.00000000       0.001
   0.03259977  0.01105248  0.00000000       0.001
   0.04346636  0.01105248  0.00000000       0.001
   0.05433295  0.01105248  0.00000000       0.001
   0.06519955  0.01105248  0.00000000       0.001
   0.07606614  0.01105248  0.00000000       0.001
   0.08693273  0.01105248  0.00000000       0.001
   0.09779932  0.01105248  0.00000000       0.001
   0.10866591  0.01105248  0.00000000       0.001
   0.11953250  0.01105248  0.00000000       0.001
  -0.11953250  0.01105248  0.00000000       0.001
  -0.10866591  0.01105248  0.00000000       0.001
  -0.09779932  0.01105248  0.00000000       0.001
  -0.08693273  0.01105248  0.00000000       0.001
  -0.07606614  0.01105248  0.00000000       0.001
  -0.06519955  0.01105248  0.00000000       0.001
  -0.05433295  0.01105248  0.00000000       0.001
  -0.04346636  0.01105248  0.00000000       0.001
  -0.03259977  0.01105248  0.00000000       0.001
  -0.02173318  0.01105248  0.00000000       0.001
  -0.01086659  0.01105248  0.00000000       0.001
   0.00000000  0.02210495  0.00000000       0.001
   0.01086659  0.02210495  0.00000000       0.001
   0.02173318  0.02210495  0.00000000       0.001
   0.03259977  0.02210495  0.00000000       0.001
   0.04346636  0.02210495  0.00000000       0.001
   0.05433295  0.02210495  0.00000000       0.001
   0.06519955  0.02210495  0.00000000       0.001
   0.07606614  0.02210495  0.00000000       0.001
   0.08693273  0.02210495  0.00000000       0.001
   0.09779932  0.02210495  0.00000000       0.001
   0.10866591  0.02210495  0.00000000       0.001
   0.11953250  0.02210495  0.00000000       0.001
  -0.11953250  0.02210495  0.00000000       0.001
  -0.10866591  0.02210495  0.00000000       0.001
  -0.09779932  0.02210495  0.00000000       0.001
  -0.08693273  0.02210495  0.00000000       0.001
  -0.07606614  0.02210495  0.00000000       0.001
  -0.06519955  0.02210495  0.00000000       0.001
  -0.05433295  0.02210495  0.00000000       0.001
  -0.04346636  0.02210495  0.00000000       0.001
  -0.03259977  0.02210495  0.00000000       0.001
  -0.02173318  0.02210495  0.00000000       0.001
  -0.01086659  0.02210495  0.00000000       0.001
   0.00000000  0.03315743  0.00000000       0.001
   0.01086659  0.03315743  0.00000000       0.001
   0.02173318  0.03315743  0.00000000       0.001
   0.03259977  0.03315743  0.00000000       0.001
   0.04346636  0.03315743  0.00000000       0.001
   0.05433295  0.03315743  0.00000000       0.001
   0.06519955  0.03315743  0.00000000       0.001
   0.07606614  0.03315743  0.00000000       0.001
   0.08693273  0.03315743  0.00000000       0.001
   0.09779932  0.03315743  0.00000000       0.001
   0.10866591  0.03315743  0.00000000       0.001
   0.11953250  0.03315743  0.00000000       0.001
  -0.11953250  0.03315743  0.00000000       0.001
  -0.10866591  0.03315743  0.00000000       0.001
  -0.09779932  0.03315743  0.00000000       0.001
  -0.08693273  0.03315743  0.00000000       0.001
  -0.07606614  0.03315743  0.00000000       0.001
  -0.06519955  0.03315743  0.00000000       0.001
  -0.05433295  0.03315743  0.00000000       0.001
  -0.04346636  0.03315743  0.00000000       0.001
  -0.03259977  0.03315743  0.00000000       0.001
  -0.02173318  0.03315743  0.00000000       0.001
  -0.01086659  0.03315743  0.00000000       0.001
   0.00000000  0.04420990  0.00000000       0.001
   0.01086659  0.04420990  0.00000000       0.001
   0.02173318  0.04420990  0.00000000       0.001
   0.03259977  0.04420990  0.00000000       0.001
   0.04346636  0.04420990  0.00000000       0.001
   0.05433295  0.04420990  0.00000000       0.001
   0.06519955  0.04420990  0.00000000       0.001
   0.07606614  0.04420990  0.00000000       0.001
   0.08693273  0.04420990  0.00000000       0.001
   0.09779932  0.04420990  0.00000000       0.001
   0.10866591  0.04420990  0.00000000       0.001
   0.11953250  0.04420990  0.00000000       0.001
  -0.11953250  0.04420990  0.00000000       0.001
  -0.10866591  0.04420990  0.00000000       0.001
  -0.09779932  0.04420990  0.00000000       0.001
  -0.08693273  0.04420990  0.00000000       0.001
  -0.07606614  0.04420990  0.00000000       0.001
  -0.06519955  0.04420990  0.00000000       0.001
  -0.05433295  0.04420990  0.00000000       0.001
  -0.04346636  0.04420990  0.00000000       0.001
  -0.03259977  0.04420990  0.00000000       0.001
  -0.02173318  0.04420990  0.00000000       0.001
  -0.01086659  0.04420990  0.00000000       0.001
   0.00000000  0.05526238  0.00000000       0.001
   0.01086659  0.05526238  0.00000000       0.001
   0.02173318  0.05526238  0.00000000       0.001
   0.03259977  0.05526238  0.00000000       0.001
   0.04346636  0.05526238  0.00000000       0.001
   0.05433295  0.05526238  0.00000000       0.001
   0.06519955  0.05526238  0.00000000       0.001
   0.07606614  0.05526238  0.00000000       0.001
   0.08693273  0.05526238  0.00000000       0.001
   0.09779932  0.05526238  0.00000000       0.001
   0.10866591  0.05526238  0.00000000       0.001
   0.11953250  0.05526238  0.00000000       0.001
  -0.11953250  0.05526238  0.00000000       0.001
  -0.10866591  0.05526238  0.00000000       0.001
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   0.07606614  0.09947228  0.01111111       0.001
   0.08693273  0.09947228  0.01111111       0.001
   0.09779932  0.09947228  0.01111111       0.001
   0.10866591  0.09947228  0.01111111       0.001
   0.11953250  0.09947228  0.01111111       0.001
  -0.11953250  0.09947228  0.01111111       0.001
  -0.10866591  0.09947228  0.01111111       0.001
  -0.09779932  0.09947228  0.01111111       0.001
  -0.08693273  0.09947228  0.01111111       0.001
  -0.07606614  0.09947228  0.01111111       0.001
  -0.06519955  0.09947228  0.01111111       0.001
  -0.05433295  0.09947228  0.01111111       0.001
  -0.04346636  0.09947228  0.01111111       0.001
  -0.03259977  0.09947228  0.01111111       0.001
  -0.02173318  0.09947228  0.01111111       0.001
  -0.01086659  0.09947228  0.01111111       0.001
   0.00000000  0.11052476  0.01111111       0.001
   0.01086659  0.11052476  0.01111111       0.001
   0.02173318  0.11052476  0.01111111       0.001
   0.03259977  0.11052476  0.01111111       0.001
   0.04346636  0.11052476  0.01111111       0.001
   0.05433295  0.11052476  0.01111111       0.001
   0.06519955  0.11052476  0.01111111       0.001
   0.07606614  0.11052476  0.01111111       0.001
   0.08693273  0.11052476  0.01111111       0.001
   0.09779932  0.11052476  0.01111111       0.001
   0.10866591  0.11052476  0.01111111       0.001
   0.11953250  0.11052476  0.01111111       0.001
  -0.11953250  0.11052476  0.01111111       0.001
  -0.10866591  0.11052476  0.01111111       0.001
  -0.09779932  0.11052476  0.01111111       0.001
  -0.08693273  0.11052476  0.01111111       0.001
  -0.07606614  0.11052476  0.01111111       0.001
  -0.06519955  0.11052476  0.01111111       0.001
  -0.05433295  0.11052476  0.01111111       0.001
  -0.04346636  0.11052476  0.01111111       0.001
  -0.03259977  0.11052476  0.01111111       0.001
  -0.02173318  0.11052476  0.01111111       0.001
  -0.01086659  0.11052476  0.01111111       0.001
   0.00000000 -0.11052476  0.01111111       0.001
   0.01086659 -0.11052476  0.01111111       0.001
   0.02173318 -0.11052476  0.01111111       0.001
   0.03259977 -0.11052476  0.01111111       0.001
   0.04346636 -0.11052476  0.01111111       0.001
   0.05433295 -0.11052476  0.01111111       0.001
   0.06519955 -0.11052476  0.01111111       0.001
   0.07606614 -0.11052476  0.01111111       0.001
   0.08693273 -0.11052476  0.01111111       0.001
   0.09779932 -0.11052476  0.01111111       0.001
   0.10866591 -0.11052476  0.01111111       0.001
   0.11953250 -0.11052476  0.01111111       0.001
  -0.11953250 -0.11052476  0.01111111       0.001
  -0.10866591 -0.11052476  0.01111111       0.001
  -0.09779932 -0.11052476  0.01111111       0.001
  -0.08693273 -0.11052476  0.01111111       0.001
  -0.07606614 -0.11052476  0.01111111       0.001
  -0.06519955 -0.11052476  0.01111111       0.001
  -0.05433295 -0.11052476  0.01111111       0.001
  -0.04346636 -0.11052476  0.01111111       0.001
  -0.03259977 -0.11052476  0.01111111       0.001
  -0.02173318 -0.11052476  0.01111111       0.001
  -0.01086659 -0.11052476  0.01111111       0.001
   0.00000000 -0.09947228  0.01111111       0.001
   0.01086659 -0.09947228  0.01111111       0.001
   0.02173318 -0.09947228  0.01111111       0.001
   0.03259977 -0.09947228  0.01111111       0.001
   0.04346636 -0.09947228  0.01111111       0.001
   0.05433295 -0.09947228  0.01111111       0.001
   0.06519955 -0.09947228  0.01111111       0.001
   0.07606614 -0.09947228  0.01111111       0.001
   0.08693273 -0.09947228  0.01111111       0.001
   0.09779932 -0.09947228  0.01111111       0.001
   0.10866591 -0.09947228  0.01111111       0.001
   0.11953250 -0.09947228  0.01111111       0.001
  -0.11953250 -0.09947228  0.01111111       0.001
  -0.10866591 -0.09947228  0.01111111       0.001
  -0.09779932 -0.09947228  0.01111111       0.001
  -0.08693273 -0.09947228  0.01111111       0.001
  -0.07606614 -0.09947228  0.01111111       0.001
  -0.06519955 -0.09947228  0.01111111       0.001
  -0.05433295 -0.09947228  0.01111111       0.001
  -0.04346636 -0.09947228  0.01111111       0.001
  -0.03259977 -0.09947228  0.01111111       0.001
  -0.02173318 -0.09947228  0.01111111       0.001
  -0.01086659 -0.09947228  0.01111111       0.001
   0.00000000 -0.08841981  0.01111111       0.001
   0.01086659 -0.08841981  0.01111111       0.001
   0.02173318 -0.08841981  0.01111111       0.001
   0.03259977 -0.08841981  0.01111111       0.001
   0.04346636 -0.08841981  0.01111111       0.001
   0.05433295 -0.08841981  0.01111111       0.001
   0.06519955 -0.08841981  0.01111111       0.001
   0.07606614 -0.08841981  0.01111111       0.001
   0.08693273 -0.08841981  0.01111111       0.001
   0.09779932 -0.08841981  0.01111111       0.001
   0.10866591 -0.08841981  0.01111111       0.001
   0.11953250 -0.08841981  0.01111111       0.001
  -0.11953250 -0.08841981  0.01111111       0.001
  -0.10866591 -0.08841981  0.01111111       0.001
  -0.09779932 -0.08841981  0.01111111       0.001
  -0.08693273 -0.08841981  0.01111111       0.001
  -0.07606614 -0.08841981  0.01111111       0.001
  -0.06519955 -0.08841981  0.01111111       0.001
  -0.05433295 -0.08841981  0.01111111       0.001
  -0.04346636 -0.08841981  0.01111111       0.001
  -0.03259977 -0.08841981  0.01111111       0.001
  -0.02173318 -0.08841981  0.01111111       0.001
  -0.01086659 -0.08841981  0.01111111       0.001
   0.00000000 -0.07736733  0.01111111       0.001
   0.01086659 -0.07736733  0.01111111       0.001
   0.02173318 -0.07736733  0.01111111       0.001
   0.03259977 -0.07736733  0.01111111       0.001
   0.04346636 -0.07736733  0.01111111       0.001
   0.05433295 -0.07736733  0.01111111       0.001
   0.06519955 -0.07736733  0.01111111       0.001
   0.07606614 -0.07736733  0.01111111       0.001
   0.08693273 -0.07736733  0.01111111       0.001
   0.09779932 -0.07736733  0.01111111       0.001
   0.10866591 -0.07736733  0.01111111       0.001
   0.11953250 -0.07736733  0.01111111       0.001
  -0.11953250 -0.07736733  0.01111111       0.001
  -0.10866591 -0.07736733  0.01111111       0.001
  -0.09779932 -0.07736733  0.01111111       0.001
  -0.08693273 -0.07736733  0.01111111       0.001
  -0.07606614 -0.07736733  0.01111111       0.001
  -0.06519955 -0.07736733  0.01111111       0.001
  -0.05433295 -0.07736733  0.01111111       0.001
  -0.04346636 -0.07736733  0.01111111       0.001
  -0.03259977 -0.07736733  0.01111111       0.001
  -0.02173318 -0.07736733  0.01111111       0.001
  -0.01086659 -0.07736733  0.01111111       0.001
   0.00000000 -0.06631486  0.01111111       0.001
   0.01086659 -0.06631486  0.01111111       0.001
   0.02173318 -0.06631486  0.01111111       0.001
   0.03259977 -0.06631486  0.01111111       0.001
   0.04346636 -0.06631486  0.01111111       0.001
   0.05433295 -0.06631486  0.01111111       0.001
   0.06519955 -0.06631486  0.01111111       0.001
   0.07606614 -0.06631486  0.01111111       0.001
   0.08693273 -0.06631486  0.01111111       0.001
   0.09779932 -0.06631486  0.01111111       0.001
   0.10866591 -0.06631486  0.01111111       0.001
   0.11953250 -0.06631486  0.01111111       0.001
  -0.11953250 -0.06631486  0.01111111       0.001
  -0.10866591 -0.06631486  0.01111111       0.001
  -0.09779932 -0.06631486  0.01111111       0.001
  -0.08693273 -0.06631486  0.01111111       0.001
  -0.07606614 -0.06631486  0.01111111       0.001
  -0.06519955 -0.06631486  0.01111111       0.001
  -0.05433295 -0.06631486  0.01111111       0.001
  -0.04346636 -0.06631486  0.01111111       0.001
  -0.03259977 -0.06631486  0.01111111       0.001
  -0.02173318 -0.06631486  0.01111111       0.001
  -0.01086659 -0.06631486  0.01111111       0.001
   0.00000000 -0.05526238  0.01111111       0.001
   0.01086659 -0.05526238  0.01111111       0.001
   0.02173318 -0.05526238  0.01111111       0.001
   0.03259977 -0.05526238  0.01111111       0.001
   0.04346636 -0.05526238  0.01111111       0.001
   0.05433295 -0.05526238  0.01111111       0.001
   0.06519955 -0.05526238  0.01111111       0.001
   0.07606614 -0.05526238  0.01111111       0.001
   0.08693273 -0.05526238  0.01111111       0.001
   0.09779932 -0.05526238  0.01111111       0.001
   0.10866591 -0.05526238  0.01111111       0.001
   0.11953250 -0.05526238  0.01111111       0.001
  -0.11953250 -0.05526238  0.01111111       0.001
  -0.10866591 -0.05526238  0.01111111       0.001
  -0.09779932 -0.05526238  0.01111111       0.001
  -0.08693273 -0.05526238  0.01111111       0.001
  -0.07606614 -0.05526238  0.01111111       0.001
  -0.06519955 -0.05526238  0.01111111       0.001
  -0.05433295 -0.05526238  0.01111111       0.001
  -0.04346636 -0.05526238  0.01111111       0.001
  -0.03259977 -0.05526238  0.01111111       0.001
  -0.02173318 -0.05526238  0.01111111       0.001
  -0.01086659 -0.05526238  0.01111111       0.001
   0.00000000 -0.04420990  0.01111111       0.001
   0.01086659 -0.04420990  0.01111111       0.001
   0.02173318 -0.04420990  0.01111111       0.001
   0.03259977 -0.04420990  0.01111111       0.001
   0.04346636 -0.04420990  0.01111111       0.001
   0.05433295 -0.04420990  0.01111111       0.001
   0.06519955 -0.04420990  0.01111111       0.001
   0.07606614 -0.04420990  0.01111111       0.001
   0.08693273 -0.04420990  0.01111111       0.001
   0.09779932 -0.04420990  0.01111111       0.001
   0.10866591 -0.04420990  0.01111111       0.001
   0.11953250 -0.04420990  0.01111111       0.001
  -0.11953250 -0.04420990  0.01111111       0.001
  -0.10866591 -0.04420990  0.01111111       0.001
  -0.09779932 -0.04420990  0.01111111       0.001
  -0.08693273 -0.04420990  0.01111111       0.001
  -0.07606614 -0.04420990  0.01111111       0.001
  -0.06519955 -0.04420990  0.01111111       0.001
  -0.05433295 -0.04420990  0.01111111       0.001
  -0.04346636 -0.04420990  0.01111111       0.001
  -0.03259977 -0.04420990  0.01111111       0.001
  -0.02173318 -0.04420990  0.01111111       0.001
  -0.01086659 -0.04420990  0.01111111       0.001
   0.00000000 -0.03315743  0.01111111       0.001
   0.01086659 -0.03315743  0.01111111       0.001
   0.02173318 -0.03315743  0.01111111       0.001
   0.03259977 -0.03315743  0.01111111       0.001
   0.04346636 -0.03315743  0.01111111       0.001
   0.05433295 -0.03315743  0.01111111       0.001
   0.06519955 -0.03315743  0.01111111       0.001
   0.07606614 -0.03315743  0.01111111       0.001
   0.08693273 -0.03315743  0.01111111       0.001
   0.09779932 -0.03315743  0.01111111       0.001
   0.10866591 -0.03315743  0.01111111       0.001
   0.11953250 -0.03315743  0.01111111       0.001
  -0.11953250 -0.03315743  0.01111111       0.001
  -0.10866591 -0.03315743  0.01111111       0.001
  -0.09779932 -0.03315743  0.01111111       0.001
  -0.08693273 -0.03315743  0.01111111       0.001
  -0.07606614 -0.03315743  0.01111111       0.001
  -0.06519955 -0.03315743  0.01111111       0.001
  -0.05433295 -0.03315743  0.01111111       0.001
  -0.04346636 -0.03315743  0.01111111       0.001
  -0.03259977 -0.03315743  0.01111111       0.001
  -0.02173318 -0.03315743  0.01111111       0.001
  -0.01086659 -0.03315743  0.01111111       0.001
   0.00000000 -0.02210495  0.01111111       0.001
   0.01086659 -0.02210495  0.01111111       0.001
   0.02173318 -0.02210495  0.01111111       0.001
   0.03259977 -0.02210495  0.01111111       0.001
   0.04346636 -0.02210495  0.01111111       0.001
   0.05433295 -0.02210495  0.01111111       0.001
   0.06519955 -0.02210495  0.01111111       0.001
   0.07606614 -0.02210495  0.01111111       0.001
   0.08693273 -0.02210495  0.01111111       0.001
   0.09779932 -0.02210495  0.01111111       0.001
   0.10866591 -0.02210495  0.01111111       0.001
   0.11953250 -0.02210495  0.01111111       0.001
  -0.11953250 -0.02210495  0.01111111       0.001
  -0.10866591 -0.02210495  0.01111111       0.001
  -0.09779932 -0.02210495  0.01111111       0.001
  -0.08693273 -0.02210495  0.01111111       0.001
  -0.07606614 -0.02210495  0.01111111       0.001
  -0.06519955 -0.02210495  0.01111111       0.001
  -0.05433295 -0.02210495  0.01111111       0.001
  -0.04346636 -0.02210495  0.01111111       0.001
  -0.03259977 -0.02210495  0.01111111       0.001
  -0.02173318 -0.02210495  0.01111111       0.001
  -0.01086659 -0.02210495  0.01111111       0.001
   0.00000000 -0.01105248  0.01111111       0.001
   0.01086659 -0.01105248  0.01111111       0.001
   0.02173318 -0.01105248  0.01111111       0.001
   0.03259977 -0.01105248  0.01111111       0.001
   0.04346636 -0.01105248  0.01111111       0.001
   0.05433295 -0.01105248  0.01111111       0.001
   0.06519955 -0.01105248  0.01111111       0.001
   0.07606614 -0.01105248  0.01111111       0.001
   0.08693273 -0.01105248  0.01111111       0.001
   0.09779932 -0.01105248  0.01111111       0.001
   0.10866591 -0.01105248  0.01111111       0.001
   0.11953250 -0.01105248  0.01111111       0.001
  -0.11953250 -0.01105248  0.01111111       0.001
  -0.10866591 -0.01105248  0.01111111       0.001
  -0.09779932 -0.01105248  0.01111111       0.001
  -0.08693273 -0.01105248  0.01111111       0.001
  -0.07606614 -0.01105248  0.01111111       0.001
  -0.06519955 -0.01105248  0.01111111       0.001
  -0.05433295 -0.01105248  0.01111111       0.001
  -0.04346636 -0.01105248  0.01111111       0.001
  -0.03259977 -0.01105248  0.01111111       0.001
  -0.02173318 -0.01105248  0.01111111       0.001
  -0.01086659 -0.01105248  0.01111111       0.001
 
 k-points in reciprocal lattice and weights: read from INCAR                         
   0.00000000  0.00000000  0.00000000       0.001
   0.04347826  0.00000000  0.00000000       0.001
   0.08695652  0.00000000  0.00000000       0.001
   0.13043478  0.00000000  0.00000000       0.001
   0.17391304  0.00000000  0.00000000       0.001
   0.21739130  0.00000000  0.00000000       0.001
   0.26086957  0.00000000  0.00000000       0.001
   0.30434783  0.00000000  0.00000000       0.001
   0.34782609  0.00000000  0.00000000       0.001
   0.39130435  0.00000000  0.00000000       0.001
   0.43478261  0.00000000  0.00000000       0.001
   0.47826087  0.00000000  0.00000000       0.001
   0.00000000  0.04761905  0.00000000       0.001
   0.04347826  0.04761905  0.00000000       0.001
   0.08695652  0.04761905  0.00000000       0.001
   0.13043478  0.04761905  0.00000000       0.001
   0.17391304  0.04761905  0.00000000       0.001
   0.21739130  0.04761905  0.00000000       0.001
   0.26086957  0.04761905  0.00000000       0.001
   0.30434783  0.04761905  0.00000000       0.001
   0.34782609  0.04761905  0.00000000       0.001
   0.39130435  0.04761905  0.00000000       0.001
   0.43478261  0.04761905  0.00000000       0.001
   0.47826087  0.04761905  0.00000000       0.001
  -0.47826087  0.04761905  0.00000000       0.001
  -0.43478261  0.04761905  0.00000000       0.001
  -0.39130435  0.04761905  0.00000000       0.001
  -0.34782609  0.04761905  0.00000000       0.001
  -0.30434783  0.04761905  0.00000000       0.001
  -0.26086957  0.04761905  0.00000000       0.001
  -0.21739130  0.04761905  0.00000000       0.001
  -0.17391304  0.04761905  0.00000000       0.001
  -0.13043478  0.04761905  0.00000000       0.001
  -0.08695652  0.04761905  0.00000000       0.001
  -0.04347826  0.04761905  0.00000000       0.001
   0.00000000  0.09523810  0.00000000       0.001
   0.04347826  0.09523810  0.00000000       0.001
   0.08695652  0.09523810  0.00000000       0.001
   0.13043478  0.09523810  0.00000000       0.001
   0.17391304  0.09523810  0.00000000       0.001
   0.21739130  0.09523810  0.00000000       0.001
   0.26086957  0.09523810  0.00000000       0.001
   0.30434783  0.09523810  0.00000000       0.001
   0.34782609  0.09523810  0.00000000       0.001
   0.39130435  0.09523810  0.00000000       0.001
   0.43478261  0.09523810  0.00000000       0.001
   0.47826087  0.09523810  0.00000000       0.001
  -0.47826087  0.09523810  0.00000000       0.001
  -0.43478261  0.09523810  0.00000000       0.001
  -0.39130435  0.09523810  0.00000000       0.001
  -0.34782609  0.09523810  0.00000000       0.001
  -0.30434783  0.09523810  0.00000000       0.001
  -0.26086957  0.09523810  0.00000000       0.001
  -0.21739130  0.09523810  0.00000000       0.001
  -0.17391304  0.09523810  0.00000000       0.001
  -0.13043478  0.09523810  0.00000000       0.001
  -0.08695652  0.09523810  0.00000000       0.001
  -0.04347826  0.09523810  0.00000000       0.001
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  -0.08695652 -0.04761905  0.33333333       0.001
  -0.04347826 -0.04761905  0.33333333       0.001
 
 position of ions in fractional coordinates (direct lattice) 
   0.57638799  0.89975267  0.98413050
   0.07647857  0.07627614  0.02432077
   0.57643398  0.39973604  0.02431133
   0.07637035  0.57629277  0.98409597
   0.65264712  0.99912273  0.95117790
   0.15310085  0.97729601  0.05730163
   0.65288155  0.49900118  0.05727493
   0.15244607  0.47729268  0.95110257
   0.20865589  0.88985398  0.98681207
   0.70874626  0.08612980  0.02164707
   0.20872537  0.38984478  0.02160153
   0.70864354  0.58614898  0.98679793
 
 position of ions in cartesian coordinates  (Angst):
   2.30618300  3.87654000 29.52391500
   0.30599800  0.32863200  0.72962300
   2.30636700  1.72224300  0.72934000
   0.30556500  2.48292900 29.52287900
   2.61130300  4.30467100 28.53533700
   0.61257100  4.21063170  1.71904900
   2.61224100  2.14992200  1.71824800
   0.60995118  2.05639200 28.53307700
   0.83485200  3.83389200 29.60436200
   2.83576100  0.37108600  0.64941200
   0.83513000  1.67962700  0.64804600
   2.83535000  2.52539400 29.60393800
 


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


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 k-point ** :  -0.2174 0.1905 0.0000  plane waves:   26545
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 k-point ** :  -0.1739-0.2857 0.3333  plane waves:   26546
 k-point ** :  -0.1304-0.2857 0.3333  plane waves:   26559
 k-point ** :  -0.0870-0.2857 0.3333  plane waves:   26597
 k-point ** :  -0.0435-0.2857 0.3333  plane waves:   26604
 k-point ** :   0.0000-0.2381 0.3333  plane waves:   26615
 k-point ** :   0.0435-0.2381 0.3333  plane waves:   26615
 k-point ** :   0.0870-0.2381 0.3333  plane waves:   26585
 k-point ** :   0.1304-0.2381 0.3333  plane waves:   26571
 k-point ** :   0.1739-0.2381 0.3333  plane waves:   26570
 k-point ** :   0.2174-0.2381 0.3333  plane waves:   26553
 k-point ** :   0.2609-0.2381 0.3333  plane waves:   26556
 k-point ** :   0.3043-0.2381 0.3333  plane waves:   26569
 k-point ** :   0.3478-0.2381 0.3333  plane waves:   26571
 k-point ** :   0.3913-0.2381 0.3333  plane waves:   26569
 k-point ** :   0.4348-0.2381 0.3333  plane waves:   26563
 k-point ** :   0.4783-0.2381 0.3333  plane waves:   26578
 k-point ** :  -0.4783-0.2381 0.3333  plane waves:   26578
 k-point ** :  -0.4348-0.2381 0.3333  plane waves:   26563
 k-point ** :  -0.3913-0.2381 0.3333  plane waves:   26569
 k-point ** :  -0.3478-0.2381 0.3333  plane waves:   26571
 k-point ** :  -0.3043-0.2381 0.3333  plane waves:   26569
 k-point ** :  -0.2609-0.2381 0.3333  plane waves:   26556
 k-point ** :  -0.2174-0.2381 0.3333  plane waves:   26553
 k-point ** :  -0.1739-0.2381 0.3333  plane waves:   26570
 k-point ** :  -0.1304-0.2381 0.3333  plane waves:   26571
 k-point ** :  -0.0870-0.2381 0.3333  plane waves:   26585
 k-point ** :  -0.0435-0.2381 0.3333  plane waves:   26615
 k-point ** :   0.0000-0.1905 0.3333  plane waves:   26589
 k-point ** :   0.0435-0.1905 0.3333  plane waves:   26600
 k-point ** :   0.0870-0.1905 0.3333  plane waves:   26593
 k-point ** :   0.1304-0.1905 0.3333  plane waves:   26587
 k-point ** :   0.1739-0.1905 0.3333  plane waves:   26582
 k-point ** :   0.2174-0.1905 0.3333  plane waves:   26551
 k-point ** :   0.2609-0.1905 0.3333  plane waves:   26542
 k-point ** :   0.3043-0.1905 0.3333  plane waves:   26549
 k-point ** :   0.3478-0.1905 0.3333  plane waves:   26570
 k-point ** :   0.3913-0.1905 0.3333  plane waves:   26548
 k-point ** :   0.4348-0.1905 0.3333  plane waves:   26548
 k-point ** :   0.4783-0.1905 0.3333  plane waves:   26537
 k-point ** :  -0.4783-0.1905 0.3333  plane waves:   26537
 k-point ** :  -0.4348-0.1905 0.3333  plane waves:   26548
 k-point ** :  -0.3913-0.1905 0.3333  plane waves:   26548
 k-point ** :  -0.3478-0.1905 0.3333  plane waves:   26570
 k-point ** :  -0.3043-0.1905 0.3333  plane waves:   26549
 k-point ** :  -0.2609-0.1905 0.3333  plane waves:   26542
 k-point ** :  -0.2174-0.1905 0.3333  plane waves:   26551
 k-point ** :  -0.1739-0.1905 0.3333  plane waves:   26582
 k-point ** :  -0.1304-0.1905 0.3333  plane waves:   26587
 k-point ** :  -0.0870-0.1905 0.3333  plane waves:   26593
 k-point ** :  -0.0435-0.1905 0.3333  plane waves:   26600
 k-point ** :   0.0000-0.1429 0.3333  plane waves:   26591
 k-point ** :   0.0435-0.1429 0.3333  plane waves:   26601
 k-point ** :   0.0870-0.1429 0.3333  plane waves:   26576
 k-point ** :   0.1304-0.1429 0.3333  plane waves:   26578
 k-point ** :   0.1739-0.1429 0.3333  plane waves:   26550
 k-point ** :   0.2174-0.1429 0.3333  plane waves:   26541
 k-point ** :   0.2609-0.1429 0.3333  plane waves:   26541
 k-point ** :   0.3043-0.1429 0.3333  plane waves:   26533
 k-point ** :   0.3478-0.1429 0.3333  plane waves:   26539
 k-point ** :   0.3913-0.1429 0.3333  plane waves:   26547
 k-point ** :   0.4348-0.1429 0.3333  plane waves:   26536
 k-point ** :   0.4783-0.1429 0.3333  plane waves:   26525
 k-point ** :  -0.4783-0.1429 0.3333  plane waves:   26525
 k-point ** :  -0.4348-0.1429 0.3333  plane waves:   26536
 k-point ** :  -0.3913-0.1429 0.3333  plane waves:   26547
 k-point ** :  -0.3478-0.1429 0.3333  plane waves:   26539
 k-point ** :  -0.3043-0.1429 0.3333  plane waves:   26533
 k-point ** :  -0.2609-0.1429 0.3333  plane waves:   26541
 k-point ** :  -0.2174-0.1429 0.3333  plane waves:   26541
 k-point ** :  -0.1739-0.1429 0.3333  plane waves:   26550
 k-point ** :  -0.1304-0.1429 0.3333  plane waves:   26578
 k-point ** :  -0.0870-0.1429 0.3333  plane waves:   26576
 k-point ** :  -0.0435-0.1429 0.3333  plane waves:   26601
 k-point ** :   0.0000-0.0952 0.3333  plane waves:   26569
 k-point ** :   0.0435-0.0952 0.3333  plane waves:   26551
 k-point ** :   0.0870-0.0952 0.3333  plane waves:   26545
 k-point ** :   0.1304-0.0952 0.3333  plane waves:   26555
 k-point ** :   0.1739-0.0952 0.3333  plane waves:   26526
 k-point ** :   0.2174-0.0952 0.3333  plane waves:   26532
 k-point ** :   0.2609-0.0952 0.3333  plane waves:   26543
 k-point ** :   0.3043-0.0952 0.3333  plane waves:   26547
 k-point ** :   0.3478-0.0952 0.3333  plane waves:   26536
 k-point ** :   0.3913-0.0952 0.3333  plane waves:   26534
 k-point ** :   0.4348-0.0952 0.3333  plane waves:   26508
 k-point ** :   0.4783-0.0952 0.3333  plane waves:   26503
 k-point ** :  -0.4783-0.0952 0.3333  plane waves:   26503
 k-point ** :  -0.4348-0.0952 0.3333  plane waves:   26508
 k-point ** :  -0.3913-0.0952 0.3333  plane waves:   26534
 k-point ** :  -0.3478-0.0952 0.3333  plane waves:   26536
 k-point ** :  -0.3043-0.0952 0.3333  plane waves:   26547
 k-point ** :  -0.2609-0.0952 0.3333  plane waves:   26543
 k-point ** :  -0.2174-0.0952 0.3333  plane waves:   26532
 k-point ** :  -0.1739-0.0952 0.3333  plane waves:   26526
 k-point ** :  -0.1304-0.0952 0.3333  plane waves:   26555
 k-point ** :  -0.0870-0.0952 0.3333  plane waves:   26545
 k-point ** :  -0.0435-0.0952 0.3333  plane waves:   26551
 k-point ** :   0.0000-0.0476 0.3333  plane waves:   26541
 k-point ** :   0.0435-0.0476 0.3333  plane waves:   26535
 k-point ** :   0.0870-0.0476 0.3333  plane waves:   26547
 k-point ** :   0.1304-0.0476 0.3333  plane waves:   26557
 k-point ** :   0.1739-0.0476 0.3333  plane waves:   26525
 k-point ** :   0.2174-0.0476 0.3333  plane waves:   26535
 k-point ** :   0.2609-0.0476 0.3333  plane waves:   26555
 k-point ** :   0.3043-0.0476 0.3333  plane waves:   26544
 k-point ** :   0.3478-0.0476 0.3333  plane waves:   26536
 k-point ** :   0.3913-0.0476 0.3333  plane waves:   26513
 k-point ** :   0.4348-0.0476 0.3333  plane waves:   26502
 k-point ** :   0.4783-0.0476 0.3333  plane waves:   26488
 k-point ** :  -0.4783-0.0476 0.3333  plane waves:   26488
 k-point ** :  -0.4348-0.0476 0.3333  plane waves:   26502
 k-point ** :  -0.3913-0.0476 0.3333  plane waves:   26513
 k-point ** :  -0.3478-0.0476 0.3333  plane waves:   26536
 k-point ** :  -0.3043-0.0476 0.3333  plane waves:   26544
 k-point ** :  -0.2609-0.0476 0.3333  plane waves:   26555
 k-point ** :  -0.2174-0.0476 0.3333  plane waves:   26535
 k-point ** :  -0.1739-0.0476 0.3333  plane waves:   26525
 k-point ** :  -0.1304-0.0476 0.3333  plane waves:   26557
 k-point ** :  -0.0870-0.0476 0.3333  plane waves:   26547
 k-point ** :  -0.0435-0.0476 0.3333  plane waves:   26535

 maximum and minimum number of plane-waves per node :      3378     3272

 maximum number of plane-waves:     26696
 maximum index in each direction: 
   IXMAX=    9   IYMAX=   10   IZMAX=   69
   IXMIN=   -9   IYMIN=  -10   IZMIN=  -69


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


 total amount of memory used by VASP MPI-rank0  1071897. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :     468078. kBytes
   fftplans  :       9259. kBytes
   grid      :      16617. kBytes
   one-center:          6. kBytes
   wavefun   :     547937. kBytes
 
     INWAV:  cpu time    0.0000: real time    0.0002
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 19   NGY = 19   NGZ =139
  (NGX  = 80   NGY  = 80   NGZ  =560)
  gives a total of  50179 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron      40.0000000 magnetization 
 keeping initial charge density in first step


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


 Maximum index for augmentation-charges          748 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.221
 Maximum number of real-space cells 5x 5x 1
 Maximum number of reciprocal cells 2x 2x 9

    FEWALD:  cpu time    0.0078: real time    0.0078


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


    POTLOK:  cpu time    0.1289: real time    0.1376
    SETDIJ:  cpu time    0.0010: real time    0.0010
     EDDAV:  cpu time   43.0427: real time   43.1684
       DOS:  cpu time    0.0101: real time    0.0101
    --------------------------------------------
      LOOP:  cpu time   43.1827: real time   43.3172

 eigenvalue-minimisations  : 41000
 total energy-change (2. order) : 0.4473800E+03  (-0.1700316E+04)
 number of electron      40.0000000 magnetization 
 augmentation part       40.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17136.67279601
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       144.55577484
  PAW double counting   =      1262.35522171    -1269.43229245
  entropy T*S    EENTRO =        -0.00016076
  eigenvalues    EBANDS =      -110.61870123
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       447.38001259 eV

  energy without entropy =      447.38017335  energy(sigma->0) =      447.38009297


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




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


     EDDAV:  cpu time   61.8079: real time   61.9848
       DOS:  cpu time    0.0046: real time    0.0046
    --------------------------------------------
      LOOP:  cpu time   61.8124: real time   61.9894

 eigenvalue-minimisations  : 66028
 total energy-change (2. order) :-0.4446212E+03  (-0.4272151E+03)
 number of electron      40.0000000 magnetization 
 augmentation part       40.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17136.67279601
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       144.55577484
  PAW double counting   =      1262.35522171    -1269.43229245
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -555.24009925
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =         2.75877533 eV

  energy without entropy =        2.75877533  energy(sigma->0) =        2.75877533


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




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


     EDDAV:  cpu time   47.4270: real time   47.5623
       DOS:  cpu time    0.0031: real time    0.0031
    --------------------------------------------
      LOOP:  cpu time   47.4301: real time   47.5654

 eigenvalue-minimisations  : 46656
 total energy-change (2. order) :-0.8582080E+02  (-0.8559402E+02)
 number of electron      40.0000000 magnetization 
 augmentation part       40.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17136.67279601
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       144.55577484
  PAW double counting   =      1262.35522171    -1269.43229245
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -641.06089487
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -83.06202029 eV

  energy without entropy =      -83.06202029  energy(sigma->0) =      -83.06202029


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




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


     EDDAV:  cpu time   56.1606: real time   56.3245
       DOS:  cpu time    0.0030: real time    0.0030
    --------------------------------------------
      LOOP:  cpu time   56.1637: real time   56.3276

 eigenvalue-minimisations  : 58504
 total energy-change (2. order) :-0.3187860E+01  (-0.3177890E+01)
 number of electron      40.0000000 magnetization 
 augmentation part       40.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17136.67279601
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       144.55577484
  PAW double counting   =      1262.35522171    -1269.43229245
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -644.24875523
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -86.24988065 eV

  energy without entropy =      -86.24988065  energy(sigma->0) =      -86.24988065


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




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


     EDDAV:  cpu time   58.6223: real time   58.7903
       DOS:  cpu time    0.0031: real time    0.0031
    CHARGE:  cpu time    2.2496: real time    2.2557
    MIXING:  cpu time    0.0058: real time    0.0062
    --------------------------------------------
      LOOP:  cpu time   60.8807: real time   61.0554

 eigenvalue-minimisations  : 61848
 total energy-change (2. order) :-0.6548025E-01  (-0.6536474E-01)
 number of electron      40.0000000 magnetization 
 augmentation part        1.5581645 magnetization 

 Broyden mixing:
  rms(total) = 0.14704E+01    rms(broyden)= 0.14704E+01
  rms(prec ) = 0.15080E+01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17136.67279601
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       144.55577484
  PAW double counting   =      1262.35522171    -1269.43229245
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -644.31423548
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -86.31536091 eV

  energy without entropy =      -86.31536091  energy(sigma->0) =      -86.31536091


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




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


    POTLOK:  cpu time    0.1084: real time    0.1091
    SETDIJ:  cpu time    0.0021: real time    0.0021
     EDDAV:  cpu time   54.6761: real time   54.8325
       DOS:  cpu time    0.0031: real time    0.0031
    CHARGE:  cpu time    2.2409: real time    2.2471
    MIXING:  cpu time    0.0058: real time    0.0062
    --------------------------------------------
      LOOP:  cpu time   57.0364: real time   57.2000

 eigenvalue-minimisations  : 56512
 total energy-change (2. order) : 0.3371666E+01  (-0.6233437E+00)
 number of electron      40.0000000 magnetization 
 augmentation part        1.4292070 magnetization 

 Broyden mixing:
  rms(total) = 0.77760E+00    rms(broyden)= 0.77760E+00
  rms(prec ) = 0.79325E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6534
  1.6534

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17190.08428572
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       147.21705233
  PAW double counting   =      1984.77663254    -1992.63648370
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -589.40957723
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.94369529 eV

  energy without entropy =      -82.94369529  energy(sigma->0) =      -82.94369529


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




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


    POTLOK:  cpu time    0.1071: real time    0.1076
    SETDIJ:  cpu time    0.0021: real time    0.0021
     EDDAV:  cpu time   52.8381: real time   52.9898
       DOS:  cpu time    0.0030: real time    0.0030
    CHARGE:  cpu time    2.2398: real time    2.2459
    MIXING:  cpu time    0.0063: real time    0.0063
    --------------------------------------------
      LOOP:  cpu time   55.1965: real time   55.3547

 eigenvalue-minimisations  : 54016
 total energy-change (2. order) : 0.7986664E+00  (-0.1523408E+00)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3943022 magnetization 

 Broyden mixing:
  rms(total) = 0.30454E+00    rms(broyden)= 0.30453E+00
  rms(prec ) = 0.30946E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8117
  1.2238  2.3996

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17232.46514564
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       149.22157281
  PAW double counting   =      2900.56122446    -2908.97334132
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -547.68230567
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.14502888 eV

  energy without entropy =      -82.14502888  energy(sigma->0) =      -82.14502888


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




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


    POTLOK:  cpu time    0.1063: real time    0.1069
    SETDIJ:  cpu time    0.0032: real time    0.0032
     EDDAV:  cpu time   54.7669: real time   54.9237
       DOS:  cpu time    0.0032: real time    0.0032
    CHARGE:  cpu time    2.2421: real time    2.2484
    MIXING:  cpu time    0.0060: real time    0.0060
    --------------------------------------------
      LOOP:  cpu time   57.1276: real time   57.2913

 eigenvalue-minimisations  : 56504
 total energy-change (2. order) : 0.7790631E-01  (-0.2353562E-01)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3959044 magnetization 

 Broyden mixing:
  rms(total) = 0.76796E-01    rms(broyden)= 0.76796E-01
  rms(prec ) = 0.80671E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7411
  1.1684  2.3205  1.7346

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17252.87063009
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       149.96277207
  PAW double counting   =      3467.32095711    -3475.91281108
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -527.76037708
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.06712257 eV

  energy without entropy =      -82.06712257  energy(sigma->0) =      -82.06712257


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




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


    POTLOK:  cpu time    0.1081: real time    0.1085
    SETDIJ:  cpu time    0.0023: real time    0.0023
     EDDAV:  cpu time   53.9810: real time   54.1359
       DOS:  cpu time    0.0031: real time    0.0031
    CHARGE:  cpu time    2.2398: real time    2.2459
    MIXING:  cpu time    0.0059: real time    0.0059
    --------------------------------------------
      LOOP:  cpu time   56.3401: real time   56.5016

 eigenvalue-minimisations  : 55348
 total energy-change (2. order) : 0.1063948E-01  (-0.3195349E-02)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3941810 magnetization 

 Broyden mixing:
  rms(total) = 0.20442E-01    rms(broyden)= 0.20442E-01
  rms(prec ) = 0.26380E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6598
  2.4725  1.1100  1.1100  1.9465

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17258.44441818
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       149.95097295
  PAW double counting   =      3508.38934878    -3516.94985204
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -522.19550108
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05648309 eV

  energy without entropy =      -82.05648309  energy(sigma->0) =      -82.05648309


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




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


    POTLOK:  cpu time    0.1083: real time    0.1088
    SETDIJ:  cpu time    0.0008: real time    0.0008
     EDDAV:  cpu time   56.6526: real time   56.8012
       DOS:  cpu time    0.0031: real time    0.0031
    CHARGE:  cpu time    2.2472: real time    2.2528
    MIXING:  cpu time    0.0060: real time    0.0060
    --------------------------------------------
      LOOP:  cpu time   59.0180: real time   59.1726

 eigenvalue-minimisations  : 59036
 total energy-change (2. order) : 0.3882229E-02  (-0.2745415E-03)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3938344 magnetization 

 Broyden mixing:
  rms(total) = 0.11244E-01    rms(broyden)= 0.11244E-01
  rms(prec ) = 0.17252E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6834
  2.3144  2.3144  1.0461  1.3710  1.3710

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17263.47681711
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       149.99371136
  PAW double counting   =      3533.67840671    -3542.23540749
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -517.20546082
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05260086 eV

  energy without entropy =      -82.05260086  energy(sigma->0) =      -82.05260086


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




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


    POTLOK:  cpu time    0.1092: real time    0.1096
    SETDIJ:  cpu time    0.0017: real time    0.0017
     EDDAV:  cpu time   52.0568: real time   52.1903
       DOS:  cpu time    0.0032: real time    0.0032
    CHARGE:  cpu time    2.2421: real time    2.2477
    MIXING:  cpu time    0.0062: real time    0.0063
    --------------------------------------------
      LOOP:  cpu time   54.4192: real time   54.5587

 eigenvalue-minimisations  : 52952
 total energy-change (2. order) : 0.1945253E-02  (-0.3521213E-03)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3942962 magnetization 

 Broyden mixing:
  rms(total) = 0.86790E-02    rms(broyden)= 0.86790E-02
  rms(prec ) = 0.12117E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7585
  3.1336  2.5513  1.7188  1.0455  1.0509  1.0509

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17270.36353589
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.01862428
  PAW double counting   =      3520.06063220    -3528.61184779
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -510.34749490
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05065561 eV

  energy without entropy =      -82.05065561  energy(sigma->0) =      -82.05065561


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




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


    POTLOK:  cpu time    0.1092: real time    0.1097
    SETDIJ:  cpu time    0.0017: real time    0.0017
     EDDAV:  cpu time   52.1886: real time   52.3195
       DOS:  cpu time    0.0034: real time    0.0034
    CHARGE:  cpu time    2.2377: real time    2.2431
    MIXING:  cpu time    0.0065: real time    0.0065
    --------------------------------------------
      LOOP:  cpu time   54.5470: real time   54.6838

 eigenvalue-minimisations  : 53220
 total energy-change (2. order) : 0.2662456E-03  (-0.1786381E-03)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3929016 magnetization 

 Broyden mixing:
  rms(total) = 0.44252E-02    rms(broyden)= 0.44251E-02
  rms(prec ) = 0.64882E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9440
  3.9223  2.6803  1.8993  1.8993  0.9511  1.1279  1.1279

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17276.33125621
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06085676
  PAW double counting   =      3524.41148278    -3532.96214786
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -504.42229133
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05038936 eV

  energy without entropy =      -82.05038936  energy(sigma->0) =      -82.05038936


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




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


    POTLOK:  cpu time    0.1096: real time    0.1101
    SETDIJ:  cpu time    0.0020: real time    0.0020
     EDDAV:  cpu time   49.4695: real time   49.5941
       DOS:  cpu time    0.0033: real time    0.0033
    CHARGE:  cpu time    2.2400: real time    2.2456
    MIXING:  cpu time    0.0066: real time    0.0066
    --------------------------------------------
      LOOP:  cpu time   51.8309: real time   51.9616

 eigenvalue-minimisations  : 49512
 total energy-change (2. order) :-0.1447626E-02  (-0.5663847E-04)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926291 magnetization 

 Broyden mixing:
  rms(total) = 0.32923E-02    rms(broyden)= 0.32923E-02
  rms(prec ) = 0.40558E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0436
  5.3981  2.4550  2.4550  1.7136  0.9386  1.1679  1.1102  1.1102

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17280.36365862
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06497584
  PAW double counting   =      3520.28469418    -3528.83229483
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -500.39852006
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05183699 eV

  energy without entropy =      -82.05183699  energy(sigma->0) =      -82.05183699


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




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


    POTLOK:  cpu time    0.1109: real time    0.1113
    SETDIJ:  cpu time    0.0010: real time    0.0010
     EDDAV:  cpu time   50.1054: real time   50.2311
       DOS:  cpu time    0.0034: real time    0.0034
    CHARGE:  cpu time    2.2377: real time    2.2432
    MIXING:  cpu time    0.0068: real time    0.0068
    --------------------------------------------
      LOOP:  cpu time   52.4651: real time   52.5968

 eigenvalue-minimisations  : 50388
 total energy-change (2. order) :-0.7042697E-03  (-0.1628912E-04)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926905 magnetization 

 Broyden mixing:
  rms(total) = 0.14726E-02    rms(broyden)= 0.14726E-02
  rms(prec ) = 0.19894E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.2264
  6.5784  3.0433  2.3483  2.2065  1.4971  1.1574  1.1574  0.9559  1.0930

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17282.27169224
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.07044371
  PAW double counting   =      3520.58762303    -3529.13649202
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -498.49539022
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05254126 eV

  energy without entropy =      -82.05254126  energy(sigma->0) =      -82.05254126


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




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


    POTLOK:  cpu time    0.1091: real time    0.1095
    SETDIJ:  cpu time    0.0019: real time    0.0019
     EDDAV:  cpu time   47.4498: real time   47.5698
       DOS:  cpu time    0.0034: real time    0.0034
    CHARGE:  cpu time    2.2474: real time    2.2530
    MIXING:  cpu time    0.0068: real time    0.0069
    --------------------------------------------
      LOOP:  cpu time   49.8185: real time   49.9445

 eigenvalue-minimisations  : 46780
 total energy-change (2. order) :-0.8595119E-03  (-0.1012834E-04)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3927231 magnetization 

 Broyden mixing:
  rms(total) = 0.85521E-03    rms(broyden)= 0.85520E-03
  rms(prec ) = 0.10500E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.2314
  7.2152  3.3649  2.5045  2.0476  1.7111  1.1532  1.1532  1.2280  0.9561  0.9808

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.28412692
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06726250
  PAW double counting   =      3520.34854536    -3528.89800936
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -497.48003885
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05340077 eV

  energy without entropy =      -82.05340077  energy(sigma->0) =      -82.05340077


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




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


    POTLOK:  cpu time    0.1086: real time    0.1090
    SETDIJ:  cpu time    0.0017: real time    0.0017
     EDDAV:  cpu time   48.6838: real time   48.8060
       DOS:  cpu time    0.0032: real time    0.0032
    CHARGE:  cpu time    2.2601: real time    2.2657
    MIXING:  cpu time    0.0071: real time    0.0072
    --------------------------------------------
      LOOP:  cpu time   51.0645: real time   51.1928

 eigenvalue-minimisations  : 48608
 total energy-change (2. order) :-0.3572921E-03  (-0.2264224E-05)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926836 magnetization 

 Broyden mixing:
  rms(total) = 0.63597E-03    rms(broyden)= 0.63597E-03
  rms(prec ) = 0.75004E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3990
  7.8340  4.3714  2.6063  2.6063  2.0654  1.5839  1.1512  1.1512  1.0975  1.0019
  0.9203

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.55061271
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06813670
  PAW double counting   =      3520.79699898    -3529.34648391
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -497.21476360
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05375806 eV

  energy without entropy =      -82.05375806  energy(sigma->0) =      -82.05375806


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




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


    POTLOK:  cpu time    0.1073: real time    0.1078
    SETDIJ:  cpu time    0.0018: real time    0.0018
     EDDAV:  cpu time   45.4696: real time   45.5839
       DOS:  cpu time    0.0032: real time    0.0032
    CHARGE:  cpu time    2.2436: real time    2.2491
    MIXING:  cpu time    0.0100: real time    0.0100
    --------------------------------------------
      LOOP:  cpu time   47.8354: real time   47.9558

 eigenvalue-minimisations  : 44240
 total energy-change (2. order) :-0.3453120E-03  (-0.6429110E-05)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926181 magnetization 

 Broyden mixing:
  rms(total) = 0.46282E-03    rms(broyden)= 0.46281E-03
  rms(prec ) = 0.49862E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3965
  7.9136  5.0526  2.7966  2.5690  1.7608  1.6773  1.6773  1.1619  1.1619  0.9412
  1.0230  1.0230

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.69501081
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06786056
  PAW double counting   =      3520.80463122    -3529.35337942
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -497.07117141
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05410337 eV

  energy without entropy =      -82.05410337  energy(sigma->0) =      -82.05410337


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




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


    POTLOK:  cpu time    0.1063: real time    0.1067
    SETDIJ:  cpu time    0.0033: real time    0.0033
     EDDAV:  cpu time   50.3782: real time   50.5050
       DOS:  cpu time    0.0032: real time    0.0032
    CHARGE:  cpu time    2.2642: real time    2.2698
    MIXING:  cpu time    0.0074: real time    0.0074
    --------------------------------------------
      LOOP:  cpu time   52.7624: real time   52.8954

 eigenvalue-minimisations  : 50768
 total energy-change (2. order) :-0.5436123E-04  (-0.6521174E-06)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926662 magnetization 

 Broyden mixing:
  rms(total) = 0.15552E-03    rms(broyden)= 0.15552E-03
  rms(prec ) = 0.19351E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3924
  8.1809  5.3131  2.9335  2.5993  2.1060  2.1060  1.4169  1.1864  1.1864  0.9591
  0.9591  1.0772  1.0772

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.75670904
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06759788
  PAW double counting   =      3520.70280148    -3529.25179893
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -497.00901562
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05415774 eV

  energy without entropy =      -82.05415774  energy(sigma->0) =      -82.05415774


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




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


    POTLOK:  cpu time    0.1088: real time    0.1092
    SETDIJ:  cpu time    0.0009: real time    0.0009
     EDDAV:  cpu time   46.5051: real time   46.6218
       DOS:  cpu time    0.0032: real time    0.0032
    CHARGE:  cpu time    2.2551: real time    2.2607
    MIXING:  cpu time    0.0077: real time    0.0077
    --------------------------------------------
      LOOP:  cpu time   48.8808: real time   49.0036

 eigenvalue-minimisations  : 45592
 total energy-change (2. order) :-0.4340522E-04  (-0.3752311E-06)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926554 magnetization 

 Broyden mixing:
  rms(total) = 0.70093E-04    rms(broyden)= 0.70093E-04
  rms(prec ) = 0.98230E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3898
  8.0288  5.9505  3.0712  2.7552  2.5736  1.8707  1.6015  1.2001  1.2001  0.9460
  1.0105  1.0953  1.0768  1.0768

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.77195072
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06726296
  PAW double counting   =      3520.68249859    -3529.23150214
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -496.99347632
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05420114 eV

  energy without entropy =      -82.05420114  energy(sigma->0) =      -82.05420114


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




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


    POTLOK:  cpu time    0.1093: real time    0.1097
    SETDIJ:  cpu time    0.0016: real time    0.0016
     EDDAV:  cpu time   45.9998: real time   46.1161
       DOS:  cpu time    0.0031: real time    0.0031
    CHARGE:  cpu time    2.2559: real time    2.2615
    MIXING:  cpu time    0.0076: real time    0.0077
    --------------------------------------------
      LOOP:  cpu time   48.3773: real time   48.4996

 eigenvalue-minimisations  : 44640
 total energy-change (2. order) :-0.1803047E-04  (-0.9497169E-07)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926542 magnetization 

 Broyden mixing:
  rms(total) = 0.49144E-04    rms(broyden)= 0.49144E-04
  rms(prec ) = 0.65656E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4388
  8.1388  6.4154  3.8813  2.8246  2.3933  2.0145  2.0145  1.4250  1.1933  1.1933
  1.0983  1.0983  0.9495  0.9709  0.9709

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.80088655
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06736434
  PAW double counting   =      3520.68890976    -3529.23797110
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -496.96460212
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05421917 eV

  energy without entropy =      -82.05421917  energy(sigma->0) =      -82.05421917


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




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


    POTLOK:  cpu time    0.1094: real time    0.1098
    SETDIJ:  cpu time    0.0014: real time    0.0014
     EDDAV:  cpu time   43.0755: real time   43.1836
       DOS:  cpu time    0.0031: real time    0.0032
    CHARGE:  cpu time    2.2564: real time    2.2619
    MIXING:  cpu time    0.0082: real time    0.0082
    --------------------------------------------
      LOOP:  cpu time   45.4541: real time   45.5682

 eigenvalue-minimisations  : 40848
 total energy-change (2. order) :-0.1144946E-04  (-0.5115909E-07)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926515 magnetization 

 Broyden mixing:
  rms(total) = 0.24728E-04    rms(broyden)= 0.24728E-04
  rms(prec ) = 0.32721E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4775
  8.0825  7.1195  4.4863  2.8660  2.5206  2.4752  1.7832  1.6446  1.2084  1.2084
  1.1672  1.1672  1.0307  0.9864  0.9712  0.9219

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.82157758
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06734070
  PAW double counting   =      3520.66379101    -3529.21279589
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -496.94395535
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05423062 eV

  energy without entropy =      -82.05423062  energy(sigma->0) =      -82.05423062


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




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


    POTLOK:  cpu time    0.1099: real time    0.1103
    SETDIJ:  cpu time    0.0014: real time    0.0014
     EDDAV:  cpu time   40.6113: real time   40.7134
       DOS:  cpu time    0.0031: real time    0.0031
    CHARGE:  cpu time    2.2548: real time    2.2604
    MIXING:  cpu time    0.0070: real time    0.0070
    --------------------------------------------
      LOOP:  cpu time   42.9875: real time   43.0957

 eigenvalue-minimisations  : 37368
 total energy-change (2. order) :-0.3981833E-05  (-0.4587507E-08)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926502 magnetization 

 Broyden mixing:
  rms(total) = 0.26961E-04    rms(broyden)= 0.26961E-04
  rms(prec ) = 0.29593E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.5767
  7.9835  7.9835  5.0549  3.3723  2.6905  2.5725  2.2290  1.8447  1.5233  1.1920
  1.1920  1.1632  1.1632  0.9828  0.9692  0.9692  0.9174

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.83205720
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06734499
  PAW double counting   =      3520.71098157    -3529.25997717
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -496.93349328
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05423460 eV

  energy without entropy =      -82.05423460  energy(sigma->0) =      -82.05423460


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




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


    POTLOK:  cpu time    0.1084: real time    0.1090
    SETDIJ:  cpu time    0.0020: real time    0.0020
     EDDAV:  cpu time   38.9709: real time   39.0693
       DOS:  cpu time    0.0031: real time    0.0031
    CHARGE:  cpu time    2.2550: real time    2.2606
    MIXING:  cpu time    0.0085: real time    0.0085
    --------------------------------------------
      LOOP:  cpu time   41.3480: real time   41.4526

 eigenvalue-minimisations  : 34900
 total energy-change (2. order) :-0.2374332E-05  (-0.3180040E-08)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926523 magnetization 

 Broyden mixing:
  rms(total) = 0.76585E-05    rms(broyden)= 0.76580E-05
  rms(prec ) = 0.84949E-05
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.5356
  8.2167  8.2167  5.3874  3.5189  2.7015  2.5267  2.2516  1.8718  1.5444  1.2008
  1.2008  1.1605  1.1605  1.0206  0.9688  0.9688  0.8617  0.8617

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.83952799
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06737484
  PAW double counting   =      3520.69205523    -3529.24106571
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -496.92603983
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05423698 eV

  energy without entropy =      -82.05423698  energy(sigma->0) =      -82.05423698


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




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


    POTLOK:  cpu time    0.1104: real time    0.1108
    SETDIJ:  cpu time    0.0018: real time    0.0018
     EDDAV:  cpu time   43.0379: real time   43.1457
       DOS:  cpu time    0.0034: real time    0.0034
    CHARGE:  cpu time    2.2611: real time    2.2666
    MIXING:  cpu time    0.0087: real time    0.0087
    --------------------------------------------
      LOOP:  cpu time   45.4232: real time   45.5370

 eigenvalue-minimisations  : 40404
 total energy-change (2. order) :-0.2659494E-06  (-0.2807089E-09)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926517 magnetization 

 Broyden mixing:
  rms(total) = 0.77941E-05    rms(broyden)= 0.77939E-05
  rms(prec ) = 0.83167E-05
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.5550
  8.8410  8.2767  5.6431  3.8450  2.8058  2.4210  2.2761  1.9363  1.6429  1.3334
  1.3334  1.1737  1.1737  1.1255  0.9544  0.9544  0.9816  0.9493  0.8780

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.84018054
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06736964
  PAW double counting   =      3520.69156559    -3529.24057836
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -496.92538006
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05423724 eV

  energy without entropy =      -82.05423724  energy(sigma->0) =      -82.05423724


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




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


    POTLOK:  cpu time    0.1105: real time    0.1111
    SETDIJ:  cpu time    0.0017: real time    0.0018
     EDDAV:  cpu time   38.8753: real time   38.9730
       DOS:  cpu time    0.0034: real time    0.0034
    CHARGE:  cpu time    2.3048: real time    2.3105
    MIXING:  cpu time    0.0096: real time    0.0097
    --------------------------------------------
      LOOP:  cpu time   41.3054: real time   41.4094

 eigenvalue-minimisations  : 34988
 total energy-change (2. order) :-0.2398356E-06  (-0.1572494E-09)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926519 magnetization 

 Broyden mixing:
  rms(total) = 0.43522E-05    rms(broyden)= 0.43522E-05
  rms(prec ) = 0.45938E-05
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.5664
  9.2418  8.2885  5.7974  4.1197  2.7370  2.7370  2.5169  1.9636  1.9636  1.4663
  1.1861  1.1861  1.1911  1.1911  1.1017  0.9788  0.9788  0.9506  0.8886  0.8432

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.84008166
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06736540
  PAW double counting   =      3520.69351677    -3529.24252606
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -496.92547843
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05423748 eV

  energy without entropy =      -82.05423748  energy(sigma->0) =      -82.05423748


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




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


    POTLOK:  cpu time    0.1094: real time    0.1099
    SETDIJ:  cpu time    0.0033: real time    0.0033
     EDDAV:  cpu time   41.0666: real time   41.1750
       DOS:  cpu time    0.0034: real time    0.0034
    CHARGE:  cpu time    2.2445: real time    2.2499
    MIXING:  cpu time    0.0092: real time    0.0092
    --------------------------------------------
      LOOP:  cpu time   43.4364: real time   43.5508

 eigenvalue-minimisations  : 37872
 total energy-change (2. order) :-0.9605583E-07  (-0.1183714E-09)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926514 magnetization 

 Broyden mixing:
  rms(total) = 0.16675E-05    rms(broyden)= 0.16674E-05
  rms(prec ) = 0.17283E-05
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.5208
  9.3216  8.2664  5.8231  4.1191  2.9489  2.5808  2.3966  2.0240  1.7848  1.6354
  1.6354  1.1892  1.1892  1.1557  1.1557  1.0606  1.0606  0.9353  0.9459  0.9459
  0.7633

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.83982110
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06736298
  PAW double counting   =      3520.69144549    -3529.24045336
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -496.92573808
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05423758 eV

  energy without entropy =      -82.05423758  energy(sigma->0) =      -82.05423758


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




--------------------------------------- Iteration      1(  27)  ---------------------------------------


    POTLOK:  cpu time    0.1114: real time    0.1119
    SETDIJ:  cpu time    0.0008: real time    0.0008
     EDDAV:  cpu time   44.2716: real time   44.3828
       DOS:  cpu time    0.0034: real time    0.0034
    CHARGE:  cpu time    2.2515: real time    2.2571
    MIXING:  cpu time    0.0097: real time    0.0097
    --------------------------------------------
      LOOP:  cpu time   46.6484: real time   46.7658

 eigenvalue-minimisations  : 42120
 total energy-change (2. order) :-0.1465060E-07  (-0.1230929E-10)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926516 magnetization 

 Broyden mixing:
  rms(total) = 0.60638E-06    rms(broyden)= 0.60632E-06
  rms(prec ) = 0.64630E-06
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.5150
  9.4120  8.2695  5.9022  4.3229  3.1731  2.7524  2.4045  2.4045  1.8972  1.8972
  1.3531  1.3531  1.1810  1.1810  1.0952  1.0952  1.1147  0.9782  0.9533  0.9209
  0.9209  0.7486

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.83993368
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06736271
  PAW double counting   =      3520.69138076    -3529.24038947
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -496.92562440
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05423759 eV

  energy without entropy =      -82.05423759  energy(sigma->0) =      -82.05423759


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




--------------------------------------- Iteration      1(  28)  ---------------------------------------


    POTLOK:  cpu time    0.1125: real time    0.1129
    SETDIJ:  cpu time    0.0019: real time    0.0019
     EDDAV:  cpu time   38.8603: real time   38.9583
       DOS:  cpu time    0.0035: real time    0.0035
    CHARGE:  cpu time    2.2524: real time    2.2580
    MIXING:  cpu time    0.0103: real time    0.0103
    --------------------------------------------
      LOOP:  cpu time   41.2408: real time   41.3448

 eigenvalue-minimisations  : 34672
 total energy-change (2. order) :-0.1022181E-07  (-0.6649095E-11)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926516 magnetization 

 Broyden mixing:
  rms(total) = 0.26817E-06    rms(broyden)= 0.26817E-06
  rms(prec ) = 0.28055E-06
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.4678
  9.4036  8.2918  5.8990  4.4038  3.2829  2.7331  2.4149  2.4149  1.8525  1.8525
  1.4021  1.1814  1.1814  1.1870  1.1870  1.2106  1.2106  1.0713  0.9878  0.9556
  0.9556  0.9237  0.7569

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.83984869
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06736138
  PAW double counting   =      3520.69167753    -3529.24068617
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -496.92570814
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05423760 eV

  energy without entropy =      -82.05423760  energy(sigma->0) =      -82.05423760


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




--------------------------------------- Iteration      1(  29)  ---------------------------------------


    POTLOK:  cpu time    0.1136: real time    0.1140
    SETDIJ:  cpu time    0.0017: real time    0.0017
     EDDAV:  cpu time   41.3255: real time   41.4292
       DOS:  cpu time    0.0033: real time    0.0033
    --------------------------------------------
      LOOP:  cpu time   41.4441: real time   41.5481

 eigenvalue-minimisations  : 38372
 total energy-change (2. order) :-0.1387889E-08  (-0.6881127E-12)
 number of electron      40.0000000 magnetization 
 augmentation part        1.3926516 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        13.77443636
  Ewald energy   TEWEN  =     15846.66529757
  -Hartree energ DENC   =    -17283.83984297
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       150.06736178
  PAW double counting   =      3520.69178311    -3529.24079173
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -496.92571428
  atomic energy  EATOM  =      1696.75323255
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -82.05423760 eV

  energy without entropy =      -82.05423760  energy(sigma->0) =      -82.05423760


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




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089
  (the norm of the test charge is              1.0000)
       1 -59.7779       2 -59.7785       3 -59.7783       4 -59.7788       5 -40.6243
       6 -40.6203       7 -40.6212       8 -40.6226       9 -72.5511      10 -72.5513
      11 -72.5512      12 -72.5513
 
 
 
 E-fermi :  -3.0320     XC(G=0):  -1.9597     alpha+bet : -1.6608


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -25.7165      2.00000
      2     -21.3816      2.00000
      3     -20.6296      2.00000
      4     -20.4253      2.00000
      5     -17.2649      2.00000
      6     -15.5161      2.00000
      7     -14.8875      2.00000
      8     -13.4850      2.00000
      9     -12.6372      2.00000
     10     -12.2239      2.00000
     11     -11.0312      2.00000
     12     -11.0289      2.00000
     13      -9.9204      2.00000
     14      -9.3140      2.00000
     15      -8.4783      2.00000
     16      -7.6971      2.00000
     17      -5.1007      2.00000
     18      -4.0455      2.00000
     19      -3.7239      2.00000
     20      -3.1672      2.00000
     21       0.4817      0.00000
     22       0.5559      0.00000
     23       1.3732      0.00000
     24       1.5920      0.00000
     25       1.9580      0.00000
     26       2.3841      0.00000
     27       2.4707      0.00000
     28       2.6970      0.00000

 k-point     2 :       0.0435    0.0000    0.0000
  band No.  band energies     occupation 
      1     -25.7035      2.00000
      2     -21.3720      2.00000
      3     -20.6231      2.00000
      4     -20.5092      2.00000
      5     -17.1669      2.00000
      6     -15.5733      2.00000
      7     -14.9510      2.00000
      8     -13.4521      2.00000
      9     -12.6264      2.00000
     10     -12.1563      2.00000
     11     -11.0182      2.00000
     12     -10.9810      2.00000
     13      -9.9288      2.00000
     14      -9.3373      2.00000
     15      -8.5035      2.00000
     16      -7.7167      2.00000
     17      -5.0938      2.00000
     18      -4.0572      2.00000
     19      -3.7468      2.00000
     20      -3.1787      2.00000
     21       0.4926      0.00000
     22       0.5703      0.00000
     23       1.3908      0.00000
     24       1.6088      0.00000
     25       1.9745      0.00000
     26       2.3992      0.00000
     27       2.5103      0.00000
     28       2.7396      0.00000

 k-point     3 :       0.0870    0.0000    0.0000
  band No.  band energies     occupation 
      1     -25.6646      2.00000
      2     -21.3434      2.00000
      3     -20.7342      2.00000
      4     -20.6041      2.00000
      5     -16.8999      2.00000
      6     -15.7301      2.00000
      7     -15.1210      2.00000
      8     -13.3671      2.00000
      9     -12.5942      2.00000
     10     -11.9695      2.00000
     11     -10.9862      2.00000
     12     -10.8380      2.00000
     13      -9.9552      2.00000
     14      -9.4056      2.00000
     15      -8.5772      2.00000
     16      -7.7731      2.00000
     17      -5.0727      2.00000
     18      -4.0944      2.00000
     19      -3.8136      2.00000
     20      -3.2131      2.00000
     21       0.5257      0.00000
     22       0.6140      0.00000
     23       1.4435      0.00000
     24       1.6596      0.00000
     25       2.0243      0.00000
     26       2.4447      0.00000
     27       2.6264      0.00000
     28       2.8630      0.00000

 k-point     4 :       0.1304    0.0000    0.0000
  band No.  band energies     occupation 
      1     -25.5997      2.00000
      2     -21.2963      2.00000
      3     -21.0478      2.00000
      4     -20.5738      2.00000
      5     -16.5178      2.00000
      6     -15.9533      2.00000
      7     -15.3590      2.00000
      8     -13.2527      2.00000
      9     -12.5413      2.00000
     10     -11.6997      2.00000
     11     -10.9340      2.00000
     12     -10.6208      2.00000
     13     -10.0028      2.00000
     14      -9.5128      2.00000
     15      -8.6933      2.00000
     16      -7.8595      2.00000
     17      -5.0363      2.00000
     18      -4.1619      2.00000
     19      -3.9193      2.00000
     20      -3.2693      2.00000
     21       0.5829      0.00000
     22       0.6876      0.00000
     23       1.5314      0.00000
     24       1.7444      0.00000
     25       2.1074      0.00000
     26       2.5215      0.00000
     27       2.8110      0.00000
     28       2.9389      0.00000

 k-point     5 :       0.1739    0.0000    0.0000
  band No.  band energies     occupation 
      1     -25.5091      2.00000
      2     -21.4069      2.00000
      3     -21.2317      2.00000
      4     -20.5343      2.00000
      5     -16.2098      2.00000
      6     -16.0654      2.00000
      7     -15.6323      2.00000
      8     -13.1212      2.00000
      9     -12.4693      2.00000
     10     -11.3876      2.00000
     11     -10.8638      2.00000
     12     -10.3539      2.00000
     13     -10.0763      2.00000
     14      -9.6473      2.00000
     15      -8.8425      2.00000
     16      -7.9671      2.00000
     17      -4.9835      2.00000
     18      -4.2633      2.00000
     19      -4.0564      2.00000
     20      -3.3458      2.00000
     21       0.6663      0.00000
     22       0.7924      0.00000
     23       1.6546      0.00000
     24       1.8638      0.00000
     25       2.2243      0.00000
     26       2.6301      0.00000
     27       3.0354      0.00000
     28       3.0511      0.00000

 k-point     6 :       0.2174    0.0000    0.0000
  band No.  band energies     occupation 
      1     -25.3929      2.00000
      2     -21.7848      2.00000
      3     -21.1509      2.00000
      4     -20.4893      2.00000
      5     -16.4736      2.00000
      6     -15.9191      2.00000
      7     -15.5727      2.00000
      8     -12.9759      2.00000
      9     -12.3806      2.00000
     10     -11.0778      2.00000
     11     -10.7801      2.00000
     12     -10.1806      2.00000
     13     -10.0621      2.00000
     14      -9.7855      2.00000
     15      -9.0119      2.00000
     16      -8.0878      2.00000
     17      -4.9139      2.00000
     18      -4.3979      2.00000
     19      -4.2158      2.00000
     20      -3.4398      2.00000
     21       0.7782      0.00000
     22       0.9299      0.00000
     23       1.8132      0.00000
     24       2.0179      0.00000
     25       2.3756      0.00000
     26       2.7698      0.00000
     27       3.1469      0.00000
     28       3.3234      0.00000

 k-point     7 :       0.2609    0.0000    0.0000
  band No.  band energies     occupation 
      1     -25.2512      2.00000
      2     -22.1656      2.00000
      3     -21.0562      2.00000
      4     -20.4433      2.00000
      5     -16.7248      2.00000
      6     -16.2041      2.00000
      7     -15.0595      2.00000
      8     -12.8165      2.00000
      9     -12.2797      2.00000
     10     -10.8394      2.00000
     11     -10.6913      2.00000
     12     -10.3181      2.00000
     13      -9.8724      2.00000
     14      -9.7691      2.00000
     15      -9.1844      2.00000
     16      -8.2162      2.00000
     17      -4.8282      2.00000
     18      -4.5573      2.00000
     19      -4.3876      2.00000
     20      -3.5474      2.00000
     21       0.9204      0.00000
     22       1.1011      0.00000
     23       2.0072      0.00000
     24       2.2068      0.00000
     25       2.5618      0.00000
     26       2.9363      0.00000
     27       3.2618      0.00000
     28       3.4880      0.00000

 k-point     8 :       0.3043    0.0000    0.0000
  band No.  band energies     occupation 
      1     -25.0843      2.00000
      2     -22.5402      2.00000
      3     -20.9503      2.00000
      4     -20.4027      2.00000
      5     -16.9477      2.00000
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      8     -12.6421      2.00000
      9     -12.1749      2.00000
     10     -10.7769      2.00000
     11     -10.6140      2.00000
     12     -10.4858      2.00000
     13      -9.8145      2.00000
     14      -9.4968      2.00000
     15      -9.3356      2.00000
     16      -8.3520      2.00000
     17      -4.7288      2.00000
     18      -4.7256      2.00000
     19      -4.5617      2.00000
     20      -3.6641      2.00000
     21       1.0935      0.00000
     22       1.3066      0.00000
     23       2.2366      0.00000
     24       2.4301      0.00000
     25       2.7833      0.00000
     26       3.1093      0.00000
     27       3.3755      0.00000
     28       3.4849      0.00000

 k-point     9 :       0.3478    0.0000    0.0000
  band No.  band energies     occupation 
      1     -24.8925      2.00000
      2     -22.9027      2.00000
      3     -20.8373      2.00000
      4     -20.3750      2.00000
      5     -17.1283      2.00000
      6     -16.7254      2.00000
      7     -14.0273      2.00000
      8     -12.4523      2.00000
      9     -12.0835      2.00000
     10     -10.8932      2.00000
     11     -10.6700      2.00000
     12     -10.5759      2.00000
     13      -9.6181      2.00000
     14      -9.4304      2.00000
     15      -9.2654      2.00000
     16      -8.4986      2.00000
     17      -4.8826      2.00000
     18      -4.7279      2.00000
     19      -4.6186      2.00000
     20      -3.7853      2.00000
     21       1.2968      0.00000
     22       1.5460      0.00000
     23       2.5016      0.00000
     24       2.6858      0.00000
     25       3.0400      0.00000
     26       3.2145      0.00000
     27       3.2213      0.00000
     28       3.5335      0.00000

 k-point    10 :       0.3913    0.0000    0.0000
  band No.  band energies     occupation 
      1     -24.6761      2.00000
      2     -23.2494      2.00000
      3     -20.7223      2.00000
      4     -20.3682      2.00000
      5     -17.2549      2.00000
      6     -16.9432      2.00000
      7     -13.5330      2.00000
      8     -12.2476      2.00000
      9     -12.0416      2.00000
     10     -11.0933      2.00000
     11     -10.8365      2.00000
     12     -10.6044      2.00000
     13      -9.4355      2.00000
     14      -9.3876      2.00000
     15      -9.0932      2.00000
     16      -8.6601      2.00000
     17      -5.0076      2.00000
     18      -4.8758      2.00000
     19      -4.5021      2.00000
     20      -3.9070      2.00000
     21       1.5280      0.00000
     22       1.8183      0.00000
     23       2.8020      0.00000
     24       2.9148      0.00000
     25       2.9604      0.00000
     26       3.2186      0.00000
     27       3.3315      0.00000
     28       3.5915      0.00000

 k-point    11 :       0.4348    0.0000    0.0000
  band No.  band energies     occupation 
      1     -24.4358      2.00000
      2     -23.5776      2.00000
      3     -20.6122      2.00000
      4     -20.3884      2.00000
      5     -17.3187      2.00000
      6     -17.1202      2.00000
      7     -13.0709      2.00000
      8     -12.1093      2.00000
      9     -12.0292      2.00000
     10     -11.3236      2.00000
     11     -10.9274      2.00000
     12     -10.6960      2.00000
     13      -9.3490      2.00000
     14      -9.1862      2.00000
     15      -8.9944      2.00000
     16      -8.8367      2.00000
     17      -5.0851      2.00000
     18      -4.9950      2.00000
     19      -4.3830      2.00000
     20      -4.0271      2.00000
     21       1.7822      0.00000
     22       2.1219      0.00000
     23       2.6158      0.00000
     24       3.0963      0.00000
     25       3.1378      0.00000
     26       3.1963      0.00000
     27       3.3627      0.00000
     28       3.4170      0.00000

 k-point    12 :       0.4783    0.0000    0.0000
  band No.  band energies     occupation 
      1     -24.1720      2.00000
      2     -23.8856      2.00000
      3     -20.5148      2.00000
      4     -20.4380      2.00000
      5     -17.3156      2.00000
      6     -17.2472      2.00000
      7     -12.6586      2.00000
      8     -12.3240      2.00000
      9     -11.7996      2.00000
     10     -11.5624      2.00000
     11     -10.9086      2.00000
     12     -10.8134      2.00000
     13      -9.2003      2.00000
     14      -9.0441      2.00000
     15      -9.0217      2.00000
     16      -8.9777      2.00000
     17      -5.1076      2.00000
     18      -5.0752      2.00000
     19      -4.2640      2.00000
     20      -4.1457      2.00000
     21       2.0521      0.00000
     22       2.3303      0.00000
     23       2.4548      0.00000
     24       2.8144      0.00000
     25       3.1154      0.00000
     26       3.2144      0.00000
     27       3.5087      0.00000
     28       3.7078      0.00000

 k-point    13 :       0.0000    0.0476    0.0000
  band No.  band energies     occupation 
      1     -25.7040      2.00000
      2     -21.5155      2.00000
      3     -20.5075      2.00000
      4     -20.4155      2.00000
      5     -17.2593      2.00000
      6     -15.6513      2.00000
      7     -14.7440      2.00000
      8     -13.4662      2.00000
      9     -12.6777      2.00000
     10     -12.2803      2.00000
     11     -11.0177      2.00000
     12     -10.9606      2.00000
     13      -9.9118      2.00000
     14      -9.3017      2.00000
     15      -8.5104      2.00000
     16      -7.6889      2.00000
     17      -5.1127      2.00000
     18      -4.0502      2.00000
     19      -3.7320      2.00000
     20      -3.1786      2.00000
     21       0.4923      0.00000
     22       0.5661      0.00000
     23       1.3910      0.00000
     24       1.6094      0.00000
     25       1.9715      0.00000
     26       2.4009      0.00000
     27       2.4849      0.00000
     28       2.6385      0.00000

 k-point    14 :       0.0435    0.0476    0.0000
  band No.  band energies     occupation 
      1     -25.6910      2.00000
      2     -21.5056      2.00000
      3     -20.5021      2.00000
      4     -20.4990      2.00000
      5     -17.1615      2.00000
      6     -15.7078      2.00000
      7     -14.8074      2.00000
      8     -13.4326      2.00000
      9     -12.6664      2.00000
     10     -12.2140      2.00000
     11     -11.0078      2.00000
     12     -10.9103      2.00000
     13      -9.9203      2.00000
     14      -9.3249      2.00000
     15      -8.5348      2.00000
     16      -7.7081      2.00000
     17      -5.1061      2.00000
     18      -4.0619      2.00000
     19      -3.7547      2.00000
     20      -3.1903      2.00000
     21       0.5032      0.00000
     22       0.5805      0.00000
     23       1.4086      0.00000
     24       1.6263      0.00000
     25       1.9880      0.00000
     26       2.4159      0.00000
     27       2.5226      0.00000
     28       2.6746      0.00000

 k-point    15 :       0.0870    0.0476    0.0000
  band No.  band energies     occupation 
      1     -25.6521      2.00000
      2     -21.4761      2.00000
      3     -20.7240      2.00000
      4     -20.4852      2.00000
      5     -16.8954      2.00000
      6     -15.8618      2.00000
      7     -14.9782      2.00000
      8     -13.3460      2.00000
      9     -12.6329      2.00000
     10     -12.0299      2.00000
     11     -10.9788      2.00000
     12     -10.7673      2.00000
     13      -9.9466      2.00000
     14      -9.3925      2.00000
     15      -8.6058      2.00000
     16      -7.7637      2.00000
     17      -5.0858      2.00000
     18      -4.0990      2.00000
     19      -3.8211      2.00000
     20      -3.2251      2.00000
     21       0.5365      0.00000
     22       0.6239      0.00000
     23       1.4612      0.00000
     24       1.6771      0.00000
     25       2.0375      0.00000
     26       2.4614      0.00000
     27       2.6328      0.00000
     28       2.7729      0.00000

 k-point    16 :       0.1304    0.0476    0.0000
  band No.  band energies     occupation 
      1     -25.5873      2.00000
      2     -21.4274      2.00000
      3     -21.0374      2.00000
      4     -20.4591      2.00000
      5     -16.5145      2.00000
      6     -16.0800      2.00000
      7     -15.2177      2.00000
      8     -13.2298      2.00000
      9     -12.5778      2.00000
     10     -11.7620      2.00000
     11     -10.9324      2.00000
     12     -10.5517      2.00000
     13      -9.9932      2.00000
     14      -9.4987      2.00000
     15      -8.7168      2.00000
     16      -7.8498      2.00000
     17      -5.0506      2.00000
     18      -4.1660      2.00000
     19      -3.9262      2.00000
     20      -3.2820      2.00000
     21       0.5939      0.00000
     22       0.6972      0.00000
     23       1.5491      0.00000
     24       1.7620      0.00000
     25       2.1202      0.00000
     26       2.5383      0.00000
     27       2.8053      0.00000
     28       2.9013      0.00000

 k-point    17 :       0.1739    0.0476    0.0000
  band No.  band energies     occupation 
      1     -25.4967      2.00000
      2     -21.3962      2.00000
      3     -21.3603      2.00000
      4     -20.4262      2.00000
      5     -16.3288      2.00000
      6     -16.0640      2.00000
      7     -15.4939      2.00000
      8     -13.0970      2.00000
      9     -12.5025      2.00000
     10     -11.4488      2.00000
     11     -10.8728      2.00000
     12     -10.2894      2.00000
     13     -10.0630      2.00000
     14      -9.6318      2.00000
     15      -8.8583      2.00000
     16      -7.9582      2.00000
     17      -4.9992      2.00000
     18      -4.2670      2.00000
     19      -4.0625      2.00000
     20      -3.3594      2.00000
     21       0.6776      0.00000
     22       0.8015      0.00000
     23       1.6723      0.00000
     24       1.8814      0.00000
     25       2.2366      0.00000
     26       2.6469      0.00000
     27       3.0194      0.00000
     28       3.0288      0.00000

 k-point    18 :       0.2174    0.0476    0.0000
  band No.  band energies     occupation 
      1     -25.3805      2.00000
      2     -21.7738      2.00000
      3     -21.2760      2.00000
      4     -20.3904      2.00000
      5     -16.5817      2.00000
      6     -15.7848      2.00000
      7     -15.5737      2.00000
      8     -12.9509      2.00000
      9     -12.4095      2.00000
     10     -11.1320      2.00000
     11     -10.8087      2.00000
     12     -10.1553      2.00000
     13     -10.0136      2.00000
     14      -9.7629      2.00000
     15      -9.0185      2.00000
     16      -8.0806      2.00000
     17      -4.9312      2.00000
     18      -4.4008      2.00000
     19      -4.2210      2.00000
     20      -3.4543      2.00000
     21       0.7899      0.00000
     22       0.9383      0.00000
     23       1.8308      0.00000
     24       2.0355      0.00000
     25       2.3873      0.00000
     26       2.7866      0.00000
     27       3.1506      0.00000
     28       3.2341      0.00000

 k-point    19 :       0.2609    0.0476    0.0000
  band No.  band energies     occupation 
      1     -25.2388      2.00000
      2     -22.1545      2.00000
      3     -21.1765      2.00000
      4     -20.3573      2.00000
      5     -16.8185      2.00000
      6     -16.0756      2.00000
      7     -15.0637      2.00000
      8     -12.7911      2.00000
      9     -12.3032      2.00000
     10     -10.8756      2.00000
     11     -10.7602      2.00000
     12     -10.2593      2.00000
     13      -9.9013      2.00000
     14      -9.6891      2.00000
     15      -9.1825      2.00000
     16      -8.2114      2.00000
     17      -4.8470      2.00000
     18      -4.5593      2.00000
     19      -4.3921      2.00000
     20      -3.5628      2.00000
     21       0.9324      0.00000
     22       1.1088      0.00000
     23       2.0247      0.00000
     24       2.2245      0.00000
     25       2.5728      0.00000
     26       2.9520      0.00000
     27       3.2622      0.00000
     28       3.4297      0.00000

 k-point    20 :       0.3043    0.0476    0.0000
  band No.  band energies     occupation 
      1     -25.0720      2.00000
      2     -22.5289      2.00000
      3     -21.0641      2.00000
      4     -20.3339      2.00000
      5     -17.0226      2.00000
      6     -16.3552      2.00000
      7     -14.5487      2.00000
      8     -12.6166      2.00000
      9     -12.1926      2.00000
     10     -10.7848      2.00000
     11     -10.7667      2.00000
     12     -10.3467      2.00000
     13      -9.8517      2.00000
     14      -9.4385      2.00000
     15      -9.3284      2.00000
     16      -8.3492      2.00000
     17      -4.7489      2.00000
     18      -4.7268      2.00000
     19      -4.5656      2.00000
     20      -3.6805      2.00000
     21       1.1058      0.00000
     22       1.3134      0.00000
     23       2.2541      0.00000
     24       2.4477      0.00000
     25       2.7934      0.00000
     26       3.1145      0.00000
     27       3.3513      0.00000
     28       3.6083      0.00000

 k-point    21 :       0.3478    0.0476    0.0000
  band No.  band energies     occupation 
      1     -24.8802      2.00000
      2     -22.8912      2.00000
      3     -20.9423      2.00000
      4     -20.3279      2.00000
      5     -17.1799      2.00000
      6     -16.6145      2.00000
      7     -14.0413      2.00000
      8     -12.4269      2.00000
      9     -12.0970      2.00000
     10     -10.8835      2.00000
     11     -10.8511      2.00000
     12     -10.4069      2.00000
     13      -9.6608      2.00000
     14      -9.4215      2.00000
     15      -9.2210      2.00000
     16      -8.4966      2.00000
     17      -4.8831      2.00000
     18      -4.7312      2.00000
     19      -4.6399      2.00000
     20      -3.8027      2.00000
     21       1.3094      0.00000
     22       1.5519      0.00000
     23       2.5190      0.00000
     24       2.7030      0.00000
     25       3.0492      0.00000
     26       3.1287      0.00000
     27       3.3225      0.00000
     28       3.5544      0.00000

 k-point    22 :       0.3913    0.0476    0.0000
  band No.  band energies     occupation 
      1     -24.6639      2.00000
      2     -23.2377      2.00000
      3     -20.8155      2.00000
      4     -20.3467      2.00000
      5     -17.2793      2.00000
      6     -16.8454      2.00000
      7     -13.5538      2.00000
      8     -12.2226      2.00000
      9     -12.0576      2.00000
     10     -11.0765      2.00000
     11     -10.9540      2.00000
     12     -10.4901      2.00000
     13      -9.4258      2.00000
     14      -9.4250      2.00000
     15      -9.0628      2.00000
     16      -8.6577      2.00000
     17      -5.0078      2.00000
     18      -4.8785      2.00000
     19      -4.5240      2.00000
     20      -3.9254      2.00000
     21       1.5407      0.00000
     22       1.8231      0.00000
     23       2.8193      0.00000
     24       2.8896      0.00000
     25       2.9895      0.00000
     26       3.2498      0.00000
     27       3.3394      0.00000
     28       3.5860      0.00000

 k-point    23 :       0.4348    0.0476    0.0000
  band No.  band energies     occupation 
      1     -24.4236      2.00000
      2     -23.5658      2.00000
      3     -20.6898      2.00000
      4     -20.3946      2.00000
      5     -17.3138      2.00000
      6     -17.0395      2.00000
      7     -13.0993      2.00000
      8     -12.1368      2.00000
      9     -12.0048      2.00000
     10     -11.3033      2.00000
     11     -10.9865      2.00000
     12     -10.6220      2.00000
     13      -9.3391      2.00000
     14      -9.2133      2.00000
     15      -8.9788      2.00000
     16      -8.8327      2.00000
     17      -5.0854      2.00000
     18      -4.9971      2.00000
     19      -4.4051      2.00000
     20      -4.0468      2.00000
     21       1.7948      0.00000
     22       2.1256      0.00000
     23       2.6186      0.00000
     24       3.1115      0.00000
     25       3.1549      0.00000
     26       3.1946      0.00000
     27       3.3751      0.00000
     28       3.4379      0.00000

 k-point    24 :       0.4783    0.0476    0.0000
  band No.  band energies     occupation 
      1     -24.1600      2.00000
      2     -23.8737      2.00000
      3     -20.5724      2.00000
      4     -20.4714      2.00000
      5     -17.2821      2.00000
      6     -17.1878      2.00000
      7     -12.6937      2.00000
      8     -12.3601      2.00000
      9     -11.7761      2.00000
     10     -11.5402      2.00000
     11     -10.9152      2.00000
     12     -10.7773      2.00000
     13      -9.1919      2.00000
     14      -9.0583      2.00000
     15      -9.0154      2.00000
     16      -8.9769      2.00000
     17      -5.1083      2.00000
     18      -5.0766      2.00000
     19      -4.2856      2.00000
     20      -4.1666      2.00000
     21       2.0642      0.00000
     22       2.3404      0.00000
     23       2.4572      0.00000
     24       2.8151      0.00000
     25       3.1257      0.00000
     26       3.2277      0.00000
     27       3.5256      0.00000
     28       3.7258      0.00000

 k-point    25 :      -0.4783    0.0476    0.0000
  band No.  band energies     occupation 
      1     -24.1600      2.00000
      2     -23.8737      2.00000
      3     -20.5723      2.00000
      4     -20.4715      2.00000
      5     -17.2817      2.00000
      6     -17.1882      2.00000
      7     -12.6934      2.00000
      8     -12.3605      2.00000
      9     -11.7761      2.00000
     10     -11.5403      2.00000
     11     -10.9149      2.00000
     12     -10.7775      2.00000
     13      -9.1917      2.00000
     14      -9.0576      2.00000
     15      -9.0156      2.00000
     16      -8.9776      2.00000
     17      -5.1085      2.00000
     18      -5.0765      2.00000
     19      -4.2859      2.00000
     20      -4.1663      2.00000
     21       2.0642      0.00000
     22       2.3403      0.00000
     23       2.4572      0.00000
     24       2.8151      0.00000
     25       3.1259      0.00000
     26       3.2275      0.00000
     27       3.5256      0.00000
     28       3.7258      0.00000

 k-point    26 :      -0.4348    0.0476    0.0000
  band No.  band energies     occupation 
      1     -24.4236      2.00000
      2     -23.5658      2.00000
      3     -20.6897      2.00000
      4     -20.3947      2.00000
      5     -17.3134      2.00000
      6     -17.0399      2.00000
      7     -13.0991      2.00000
      8     -12.1373      2.00000
      9     -12.0048      2.00000
     10     -11.3034      2.00000
     11     -10.9862      2.00000
     12     -10.6220      2.00000
     13      -9.3390      2.00000
     14      -9.2125      2.00000
     15      -8.9795      2.00000
     16      -8.8329      2.00000
     17      -5.0855      2.00000
     18      -4.9969      2.00000
     19      -4.4054      2.00000
     20      -4.0465      2.00000
     21       1.7948      0.00000
     22       2.1256      0.00000
     23       2.6185      0.00000
     24       3.1118      0.00000
     25       3.1549      0.00000
     26       3.1947      0.00000
     27       3.3751      0.00000
     28       3.4378      0.00000

 k-point    27 :      -0.3913    0.0476    0.0000
  band No.  band energies     occupation 
      1     -24.6639      2.00000
      2     -23.2377      2.00000
      3     -20.8155      2.00000
      4     -20.3468      2.00000
      5     -17.2789      2.00000
      6     -16.8459      2.00000
      7     -13.5537      2.00000
      8     -12.2225      2.00000
      9     -12.0580      2.00000
     10     -11.0766      2.00000
     11     -10.9539      2.00000
     12     -10.4898      2.00000
     13      -9.4259      2.00000
     14      -9.4240      2.00000
     15      -9.0635      2.00000
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     25       2.9895      0.00000
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     27       3.3394      0.00000
     28       3.5861      0.00000

 k-point    28 :      -0.3478    0.0476    0.0000
  band No.  band energies     occupation 
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     25       3.0492      0.00000
     26       3.1280      0.00000
     27       3.3230      0.00000
     28       3.5548      0.00000

 k-point    29 :      -0.3043    0.0476    0.0000
  band No.  band energies     occupation 
      1     -25.0720      2.00000
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     25       2.7934      0.00000
     26       3.1142      0.00000
     27       3.3507      0.00000
     28       3.5439      0.00000

 k-point    30 :      -0.2609    0.0476    0.0000
  band No.  band energies     occupation 
      1     -25.2388      2.00000
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     25       2.5727      0.00000
     26       2.9519      0.00000
     27       3.2619      0.00000
     28       3.4297      0.00000

 k-point    31 :      -0.2174    0.0476    0.0000
  band No.  band energies     occupation 
      1     -25.3805      2.00000
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     25       2.3873      0.00000
     26       2.7866      0.00000
     27       3.1505      0.00000
     28       3.2341      0.00000

 k-point    32 :      -0.1739    0.0476    0.0000
  band No.  band energies     occupation 
      1     -25.4967      2.00000
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     17      -4.9995      2.00000
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     25       2.2366      0.00000
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     27       3.0195      0.00000
     28       3.0289      0.00000

 k-point    33 :      -0.1304    0.0476    0.0000
  band No.  band energies     occupation 
      1     -25.5873      2.00000
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     28       2.9015      0.00000

 k-point    34 :      -0.0870    0.0476    0.0000
  band No.  band energies     occupation 
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     28       2.7731      0.00000

 k-point    35 :      -0.0435    0.0476    0.0000
  band No.  band energies     occupation 
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 k-point    36 :       0.0000    0.0952    0.0000
  band No.  band energies     occupation 
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 k-point    37 :       0.0435    0.0952    0.0000
  band No.  band energies     occupation 
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 k-point    38 :       0.0870    0.0952    0.0000
  band No.  band energies     occupation 
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 k-point    39 :       0.1304    0.0952    0.0000
  band No.  band energies     occupation 
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 k-point    40 :       0.1739    0.0952    0.0000
  band No.  band energies     occupation 
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     25       2.2724      0.00000
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     27       2.9670      0.00000
     28       3.0247      0.00000

 k-point    41 :       0.2174    0.0952    0.0000
  band No.  band energies     occupation 
      1     -25.3433      2.00000
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     27       3.1479      0.00000
     28       3.1618      0.00000

 k-point    42 :       0.2609    0.0952    0.0000
  band No.  band energies     occupation 
      1     -25.2018      2.00000
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     10     -10.9739      2.00000
     11     -10.9091      2.00000
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     13      -9.9029      2.00000
     14      -9.5441      2.00000
     15      -9.1776      2.00000
     16      -8.1983      2.00000
     17      -4.9012      2.00000
     18      -4.5655      2.00000
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     20      -3.6083      2.00000
     21       0.9688      0.00000
     22       1.1316      0.00000
     23       2.0773      0.00000
     24       2.2775      0.00000
     25       2.6040      0.00000
     26       2.9975      0.00000
     27       3.2626      0.00000
     28       3.3369      0.00000

 k-point    43 :       0.3043    0.0952    0.0000
  band No.  band energies     occupation 
      1     -25.0351      2.00000
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     10     -10.9809      2.00000
     11     -10.8143      2.00000
     12     -10.1742      2.00000
     13      -9.9044      2.00000
     14      -9.3169      2.00000
     15      -9.3085      2.00000
     16      -8.3415      2.00000
     17      -4.8072      2.00000
     18      -4.7307      2.00000
     19      -4.5789      2.00000
     20      -3.7287      2.00000
     21       1.1431      0.00000
     22       1.3335      0.00000
     23       2.3065      0.00000
     24       2.5006      0.00000
     25       2.8219      0.00000
     26       3.1193      0.00000
     27       3.3408      0.00000
     28       3.5431      0.00000

 k-point    44 :       0.3478    0.0952    0.0000
  band No.  band energies     occupation 
      1     -24.8435      2.00000
      2     -22.8567      2.00000
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     10     -11.0789      2.00000
     11     -10.8584      2.00000
     12     -10.2147      2.00000
     13      -9.7453      2.00000
     14      -9.3960      2.00000
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     16      -8.4916      2.00000
     17      -4.8854      2.00000
     18      -4.7428      2.00000
     19      -4.7016      2.00000
     20      -3.8536      2.00000
     21       1.3474      0.00000
     22       1.5691      0.00000
     23       2.5711      0.00000
     24       2.7539      0.00000
     25       3.0575      0.00000
     26       3.0744      0.00000
     27       3.4363      0.00000
     28       3.6207      0.00000

 k-point    45 :       0.3913    0.0952    0.0000
  band No.  band energies     occupation 
      1     -24.6274      2.00000
      2     -23.2027      2.00000
      3     -21.0249      2.00000
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      5     -17.2783      2.00000
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      8     -12.1484      2.00000
      9     -12.1077      2.00000
     10     -11.1329      2.00000
     11     -11.0278      2.00000
     12     -10.3165      2.00000
     13      -9.5067      2.00000
     14      -9.3978      2.00000
     15      -9.0004      2.00000
     16      -8.6515      2.00000
     17      -5.0096      2.00000
     18      -4.8882      2.00000
     19      -4.5880      2.00000
     20      -3.9794      2.00000
     21       1.5791      0.00000
     22       1.8374      0.00000
     23       2.8542      0.00000
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     25       3.0506      0.00000
     26       3.3269      0.00000
     27       3.3597      0.00000
     28       3.5693      0.00000

 k-point    46 :       0.4348    0.0952    0.0000
  band No.  band energies     occupation 
      1     -24.3873      2.00000
      2     -23.5304      2.00000
      3     -20.8732      2.00000
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      5     -17.2560      2.00000
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      8     -12.2212      2.00000
      9     -11.9325      2.00000
     10     -11.2438      2.00000
     11     -11.0722      2.00000
     12     -10.4895      2.00000
     13      -9.3109      2.00000
     14      -9.2757      2.00000
     15      -8.9494      2.00000
     16      -8.8218      2.00000
     17      -5.0878      2.00000
     18      -5.0048      2.00000
     19      -4.4696      2.00000
     20      -4.1041      2.00000
     21       1.8330      0.00000
     22       2.1365      0.00000
     23       2.6299      0.00000
     24       3.1542      0.00000
     25       3.1881      0.00000
     26       3.2068      0.00000
     27       3.4153      0.00000
     28       3.4974      0.00000

 k-point    47 :       0.4783    0.0952    0.0000
  band No.  band energies     occupation 
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      2     -23.8379      2.00000
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     17      -5.1122      2.00000
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     22       2.3716      0.00000
     23       2.4641      0.00000
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     25       3.1563      0.00000
     26       3.2672      0.00000
     27       3.5761      0.00000
     28       3.7795      0.00000

 k-point    48 :      -0.4783    0.0952    0.0000
  band No.  band energies     occupation 
      1     -24.1239      2.00000
      2     -23.8379      2.00000
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     11     -10.9095      2.00000
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     13      -9.1674      2.00000
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     17      -5.1124      2.00000
     18      -5.0821      2.00000
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     21       2.1009      0.00000
     22       2.3715      0.00000
     23       2.4640      0.00000
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     25       3.1567      0.00000
     26       3.2668      0.00000
     27       3.5760      0.00000
     28       3.7795      0.00000

 k-point    49 :      -0.4348    0.0952    0.0000
  band No.  band energies     occupation 
      1     -24.3873      2.00000
      2     -23.5304      2.00000
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     10     -11.2439      2.00000
     11     -11.0719      2.00000
     12     -10.4894      2.00000
     13      -9.3106      2.00000
     14      -9.2746      2.00000
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     17      -5.0880      2.00000
     18      -5.0046      2.00000
     19      -4.4702      2.00000
     20      -4.1036      2.00000
     21       1.8328      0.00000
     22       2.1364      0.00000
     23       2.6297      0.00000
     24       3.1546      0.00000
     25       3.1883      0.00000
     26       3.2067      0.00000
     27       3.4152      0.00000
     28       3.4972      0.00000

 k-point    50 :      -0.3913    0.0952    0.0000
  band No.  band energies     occupation 
      1     -24.6274      2.00000
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     11     -11.0280      2.00000
     12     -10.3160      2.00000
     13      -9.5055      2.00000
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     17      -5.0098      2.00000
     18      -4.8879      2.00000
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     20      -3.9789      2.00000
     21       1.5789      0.00000
     22       1.8373      0.00000
     23       2.8538      0.00000
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     25       3.0506      0.00000
     26       3.3274      0.00000
     27       3.3597      0.00000
     28       3.5694      0.00000

 k-point    51 :      -0.3478    0.0952    0.0000
  band No.  band energies     occupation 
      1     -24.8435      2.00000
      2     -22.8567      2.00000
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     10     -11.0789      2.00000
     11     -10.8586      2.00000
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     13      -9.7441      2.00000
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     17      -4.8856      2.00000
     18      -4.7425      2.00000
     19      -4.7022      2.00000
     20      -3.8531      2.00000
     21       1.3473      0.00000
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     23       2.5711      0.00000
     24       2.7539      0.00000
     25       3.0569      0.00000
     26       3.0743      0.00000
     27       3.4364      0.00000
     28       3.6254      0.00000

 k-point    52 :      -0.3043    0.0952    0.0000
  band No.  band energies     occupation 
      1     -25.0351      2.00000
      2     -22.4948      2.00000
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     10     -10.9813      2.00000
     11     -10.8143      2.00000
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     13      -9.9033      2.00000
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     17      -4.8078      2.00000
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     20      -3.7282      2.00000
     21       1.1430      0.00000
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     23       2.3065      0.00000
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     25       2.8218      0.00000
     26       3.1187      0.00000
     27       3.3405      0.00000
     28       3.5429      0.00000

 k-point    53 :      -0.2609    0.0952    0.0000
  band No.  band energies     occupation 
      1     -25.2018      2.00000
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     11     -10.9096      2.00000
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     25       2.6039      0.00000
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     27       3.2622      0.00000
     28       3.3368      0.00000

 k-point    54 :      -0.2174    0.0952    0.0000
  band No.  band energies     occupation 
      1     -25.3433      2.00000
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     25       2.4209      0.00000
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     27       3.1479      0.00000
     28       3.1616      0.00000

 k-point    55 :      -0.1739    0.0952    0.0000
  band No.  band energies     occupation 
      1     -25.4595      2.00000
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     17      -5.0446      2.00000
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     23       1.7253      0.00000
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     25       2.2724      0.00000
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     27       2.9672      0.00000
     28       3.0249      0.00000

 k-point    56 :      -0.1304    0.0952    0.0000
  band No.  band energies     occupation 
      1     -25.5500      2.00000
      2     -21.7005      2.00000
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     21       0.6274      0.00000
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     25       2.1577      0.00000
     26       2.5884      0.00000
     27       2.7956      0.00000
     28       2.8706      0.00000

 k-point    57 :      -0.0870    0.0952    0.0000
  band No.  band energies     occupation 
      1     -25.6147      2.00000
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     25       2.0763      0.00000
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     27       2.6525      0.00000
     28       2.7271      0.00000

 k-point    58 :      -0.0435    0.0952    0.0000
  band No.  band energies     occupation 
      1     -25.6536      2.00000
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     25       2.0275      0.00000
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     28       2.6263      0.00000

 k-point    59 :       0.0000    0.1429    0.0000
  band No.  band energies     occupation 
      1     -25.6043      2.00000
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     13      -9.8637      2.00000
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     21       0.5805      0.00000
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     23       1.5331      0.00000
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     25       2.0755      0.00000
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     27       2.5843      0.00000
     28       2.5900      0.00000

 k-point    60 :       0.0435    0.1429    0.0000
  band No.  band energies     occupation 
      1     -25.5914      2.00000
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     11     -10.9591      2.00000
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     13      -9.8721      2.00000
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     15      -8.7518      2.00000
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     17      -5.1897      2.00000
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     20      -3.2820      2.00000
     21       0.5917      0.00000
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     23       1.5507      0.00000
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     25       2.0913      0.00000
     26       2.5490      0.00000
     27       2.6152      0.00000
     28       2.6215      0.00000

 k-point    61 :       0.0870    0.1429    0.0000
  band No.  band energies     occupation 
      1     -25.5525      2.00000
      2     -22.0694      2.00000
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     10     -12.3153      2.00000
     11     -10.9533      2.00000
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     13      -9.8965      2.00000
     14      -9.2883      2.00000
     15      -8.8019      2.00000
     16      -7.7125      2.00000
     17      -5.1759      2.00000
     18      -4.1356      2.00000
     19      -3.8899      2.00000
     20      -3.3199      2.00000
     21       0.6261      0.00000
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     23       1.6032      0.00000
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     25       2.1386      0.00000
     26       2.5940      0.00000
     27       2.6875      0.00000
     28       2.7238      0.00000

 k-point    62 :       0.1304    0.1429    0.0000
  band No.  band energies     occupation 
      1     -25.4879      2.00000
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     10     -12.0712      2.00000
     11     -10.9507      2.00000
     12     -10.1711      2.00000
     13      -9.9341      2.00000
     14      -9.3849      2.00000
     15      -8.8761      2.00000
     16      -7.7939      2.00000
     17      -5.1505      2.00000
     18      -4.2000      2.00000
     19      -3.9905      2.00000
     20      -3.3816      2.00000
     21       0.6852      0.00000
     22       0.7743      0.00000
     23       1.6908      0.00000
     24       1.9027      0.00000
     25       2.2176      0.00000
     26       2.6716      0.00000
     27       2.7975      0.00000
     28       2.8725      0.00000

 k-point    63 :       0.1739    0.1429    0.0000
  band No.  band energies     occupation 
      1     -25.3975      2.00000
      2     -21.9401      2.00000
      3     -21.3113      2.00000
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      8     -12.9213      2.00000
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     10     -11.7670      2.00000
     11     -10.9634      2.00000
     12      -9.9768      2.00000
     13      -9.9424      2.00000
     14      -9.5017      2.00000
     15      -8.9655      2.00000
     16      -7.9033      2.00000
     17      -5.1109      2.00000
     18      -4.2966      2.00000
     19      -4.1210      2.00000
     20      -3.4648      2.00000
     21       0.7711      0.00000
     22       0.8746      0.00000
     23       1.8135      0.00000
     24       2.0224      0.00000
     25       2.3289      0.00000
     26       2.7810      0.00000
     27       2.9339      0.00000
     28       3.0370      0.00000

 k-point    64 :       0.2174    0.1429    0.0000
  band No.  band energies     occupation 
      1     -25.2815      2.00000
      2     -21.8447      2.00000
      3     -21.6868      2.00000
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      8     -12.7627      2.00000
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     10     -11.4328      2.00000
     11     -11.0071      2.00000
     12     -10.0098      2.00000
     13      -9.7855      2.00000
     14      -9.5522      2.00000
     15      -9.0652      2.00000
     16      -8.0344      2.00000
     17      -5.0554      2.00000
     18      -4.4248      2.00000
     19      -4.2733      2.00000
     20      -3.5662      2.00000
     21       0.8859      0.00000
     22       1.0059      0.00000
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     25       2.4732      0.00000
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     27       3.0909      0.00000
     28       3.1773      0.00000

 k-point    65 :       0.2609    0.1429    0.0000
  band No.  band energies     occupation 
      1     -25.1402      2.00000
      2     -22.0656      2.00000
      3     -21.7299      2.00000
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     10     -11.1107      2.00000
     11     -11.0925      2.00000
     12     -10.0211      2.00000
     13      -9.8561      2.00000
     14      -9.3787      2.00000
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     16      -8.1792      2.00000
     17      -4.9836      2.00000
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     20      -3.6815      2.00000
     21       1.0309      0.00000
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     23       2.1647      0.00000
     24       2.3661      0.00000
     25       2.6514      0.00000
     26       3.0646      0.00000
     27       3.2655      0.00000
     28       3.2700      0.00000

 k-point    66 :       0.3043    0.1429    0.0000
  band No.  band energies     occupation 
      1     -24.9737      2.00000
      2     -22.4384      2.00000
      3     -21.5971      2.00000
      4     -20.1740      2.00000
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      8     -12.4189      2.00000
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     10     -11.2092      2.00000
     11     -10.8757      2.00000
     12     -10.0180      2.00000
     13      -9.9153      2.00000
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     15      -9.1793      2.00000
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 k-point    67 :       0.3478    0.1429    0.0000
  band No.  band energies     occupation 
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     27       3.5562      0.00000
     28       3.6923      0.00000

 k-point    68 :       0.3913    0.1429    0.0000
  band No.  band energies     occupation 
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     25       3.1423      0.00000
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     27       3.4248      0.00000
     28       3.5441      0.00000

 k-point    69 :       0.4348    0.1429    0.0000
  band No.  band energies     occupation 
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     27       3.4880      0.00000
     28       3.5901      0.00000

 k-point    70 :       0.4783    0.1429    0.0000
  band No.  band energies     occupation 
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     25       3.2065      0.00000
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     27       3.6582      0.00000
     28       3.8689      0.00000

 k-point    71 :      -0.4783    0.1429    0.0000
  band No.  band energies     occupation 
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     25       3.2070      0.00000
     26       3.3315      0.00000
     27       3.6582      0.00000
     28       3.8689      0.00000

 k-point    72 :      -0.4348    0.1429    0.0000
  band No.  band energies     occupation 
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 k-point    73 :      -0.3913    0.1429    0.0000
  band No.  band energies     occupation 
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 k-point    74 :      -0.3478    0.1429    0.0000
  band No.  band energies     occupation 
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 k-point    75 :      -0.3043    0.1429    0.0000
  band No.  band energies     occupation 
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 k-point    76 :      -0.2609    0.1429    0.0000
  band No.  band energies     occupation 
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 k-point    77 :      -0.2174    0.1429    0.0000
  band No.  band energies     occupation 
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 k-point    78 :      -0.1739    0.1429    0.0000
  band No.  band energies     occupation 
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 k-point    79 :      -0.1304    0.1429    0.0000
  band No.  band energies     occupation 
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 k-point    80 :      -0.0870    0.1429    0.0000
  band No.  band energies     occupation 
      1     -25.5525      2.00000
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     27       2.6877      0.00000
     28       2.7240      0.00000

 k-point    81 :      -0.0435    0.1429    0.0000
  band No.  band energies     occupation 
      1     -25.5914      2.00000
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     10     -12.4742      2.00000
     11     -10.9593      2.00000
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     13      -9.8718      2.00000
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     15      -8.7518      2.00000
     16      -7.6630      2.00000
     17      -5.1899      2.00000
     18      -4.0999      2.00000
     19      -3.8261      2.00000
     20      -3.2819      2.00000
     21       0.5917      0.00000
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     23       1.5506      0.00000
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     25       2.0913      0.00000
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     27       2.6153      0.00000
     28       2.6215      0.00000

 k-point    82 :       0.0000    0.1905    0.0000
  band No.  band energies     occupation 
      1     -25.5175      2.00000
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     11     -10.9477      2.00000
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     14      -9.1238      2.00000
     15      -8.8993      2.00000
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     17      -5.2458      2.00000
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     19      -3.8764      2.00000
     20      -3.3470      2.00000
     21       0.6616      0.00000
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     23       1.6574      0.00000
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     25       2.1623      0.00000
     26       2.6122      0.00000
     27       2.6574      0.00000
     28       2.6733      0.00000

 k-point    83 :       0.0435    0.1905    0.0000
  band No.  band energies     occupation 
      1     -25.5045      2.00000
      2     -22.4318      2.00000
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     10     -12.5167      2.00000
     11     -10.9513      2.00000
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     13      -9.8523      2.00000
     14      -9.1425      2.00000
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     17      -5.2433      2.00000
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     19      -3.8977      2.00000
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     21       0.6732      0.00000
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     25       2.1774      0.00000
     26       2.6406      0.00000
     27       2.6793      0.00000
     28       2.6919      0.00000

 k-point    84 :       0.0870    0.1905    0.0000
  band No.  band energies     occupation 
      1     -25.4658      2.00000
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      3     -20.5739      2.00000
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     10     -12.3880      2.00000
     11     -10.9653      2.00000
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     13      -9.8731      2.00000
     14      -9.1972      2.00000
     15      -8.9445      2.00000
     16      -7.6873      2.00000
     17      -5.2350      2.00000
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     19      -3.9596      2.00000
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     21       0.7084      0.00000
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     25       2.2227      0.00000
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 k-point    85 :       0.1304    0.1905    0.0000
  band No.  band energies     occupation 
      1     -25.4012      2.00000
      2     -22.3417      2.00000
      3     -20.8830      2.00000
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     10     -12.1847      2.00000
     11     -10.9977      2.00000
     12      -9.9548      2.00000
     13      -9.9005      2.00000
     14      -9.2819      2.00000
     15      -8.9912      2.00000
     16      -7.7634      2.00000
     17      -5.2179      2.00000
     18      -4.2293      2.00000
     19      -4.0574      2.00000
     20      -3.4658      2.00000
     21       0.7689      0.00000
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     23       1.8146      0.00000
     24       2.0262      0.00000
     25       2.2982      0.00000
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     27       2.8310      0.00000
     28       2.9043      0.00000

 k-point    86 :       0.1739    0.1905    0.0000
  band No.  band energies     occupation 
      1     -25.3110      2.00000
      2     -22.2636      2.00000
      3     -21.2377      2.00000
      4     -19.8726      2.00000
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     10     -11.9133      2.00000
     11     -11.0603      2.00000
     12      -9.9227      2.00000
     13      -9.7594      2.00000
     14      -9.3751      2.00000
     15      -9.0454      2.00000
     16      -7.8702      2.00000
     17      -5.1885      2.00000
     18      -4.3224      2.00000
     19      -4.1840      2.00000
     20      -3.5532      2.00000
     21       0.8567      0.00000
     22       0.9409      0.00000
     23       1.9368      0.00000
     24       2.1463      0.00000
     25       2.4043      0.00000
     26       2.8960      0.00000
     27       2.9440      0.00000
     28       3.0635      0.00000

 k-point    87 :       0.2174    0.1905    0.0000
  band No.  band energies     occupation 
      1     -25.1953      2.00000
      2     -22.1639      2.00000
      3     -21.6114      2.00000
      4     -19.9486      2.00000
      5     -17.0279      2.00000
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      7     -14.8904      2.00000
      8     -12.7397      2.00000
      9     -12.6229      2.00000
     10     -11.5929      2.00000
     11     -11.1622      2.00000
     12      -9.9270      2.00000
     13      -9.6784      2.00000
     14      -9.3679      2.00000
     15      -9.1062      2.00000
     16      -8.0037      2.00000
     17      -5.1440      2.00000
     18      -4.4464      2.00000
     19      -4.3314      2.00000
     20      -3.6591      2.00000
     21       0.9735      0.00000
     22       1.0677      0.00000
     23       2.0940      0.00000
     24       2.3011      0.00000
     25       2.5420      0.00000
     26       3.0273      0.00000
     27       3.0851      0.00000
     28       3.1937      0.00000

 k-point    88 :       0.2609    0.1905    0.0000
  band No.  band energies     occupation 
      1     -25.0542      2.00000
      2     -22.0436      2.00000
      3     -21.9885      2.00000
      4     -20.0564      2.00000
      5     -17.1182      2.00000
      6     -15.1983      2.00000
      7     -15.1481      2.00000
      8     -12.5663      2.00000
      9     -12.4420      2.00000
     10     -11.3001      2.00000
     11     -11.2586      2.00000
     12      -9.9092      2.00000
     13      -9.7719      2.00000
     14      -9.2066      2.00000
     15      -9.1765      2.00000
     16      -8.1563      2.00000
     17      -5.0834      2.00000
     18      -4.5943      2.00000
     19      -4.4916      2.00000
     20      -3.7790      2.00000
     21       1.1205      0.00000
     22       1.2260      0.00000
     23       2.2864      0.00000
     24       2.4902      0.00000
     25       2.7129      0.00000
     26       3.1178      0.00000
     27       3.2572      0.00000
     28       3.3012      0.00000

 k-point    89 :       0.3043    0.1905    0.0000
  band No.  band energies     occupation 
      1     -24.8880      2.00000
      2     -22.3598      2.00000
      3     -21.9035      2.00000
      4     -20.1970      2.00000
      5     -17.1539      2.00000
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      7     -14.6978      2.00000
      8     -12.3863      2.00000
      9     -12.2578      2.00000
     10     -11.4475      2.00000
     11     -10.9678      2.00000
     12      -9.8837      2.00000
     13      -9.8692      2.00000
     14      -9.2549      2.00000
     15      -9.0423      2.00000
     16      -8.3178      2.00000
     17      -5.0070      2.00000
     18      -4.7524      2.00000
     19      -4.6554      2.00000
     20      -3.9079      2.00000
     21       1.2978      0.00000
     22       1.4171      0.00000
     23       2.5140      0.00000
     24       2.7114      0.00000
     25       2.9179      0.00000
     26       3.0678      0.00000
     27       3.4598      0.00000
     28       3.4853      0.00000

 k-point    90 :       0.3478    0.1905    0.0000
  band No.  band energies     occupation 
      1     -24.6971      2.00000
      2     -22.7194      2.00000
      3     -21.7450      2.00000
      4     -20.3666      2.00000
      5     -17.1322      2.00000
      6     -15.7968      2.00000
      7     -14.2672      2.00000
      8     -12.2721      2.00000
      9     -12.0660      2.00000
     10     -11.5241      2.00000
     11     -10.8188      2.00000
     12      -9.8946      2.00000
     13      -9.8533      2.00000
     14      -9.3148      2.00000
     15      -8.9262      2.00000
     16      -8.4797      2.00000
     17      -4.9165      2.00000
     18      -4.9032      2.00000
     19      -4.8117      2.00000
     20      -4.0419      2.00000
     21       1.5042      0.00000
     22       1.6413      0.00000
     23       2.7766      0.00000
     24       2.9043      0.00000
     25       3.0159      0.00000
     26       3.1559      0.00000
     27       3.6636      0.00000
     28       3.6903      0.00000

 k-point    91 :       0.3913    0.1905    0.0000
  band No.  band energies     occupation 
      1     -24.4818      2.00000
      2     -23.0636      2.00000
      3     -21.5699      2.00000
      4     -20.5580      2.00000
      5     -17.0563      2.00000
      6     -16.0750      2.00000
      7     -13.8635      2.00000
      8     -12.3397      2.00000
      9     -11.8651      2.00000
     10     -11.4105      2.00000
     11     -10.8649      2.00000
     12     -10.0063      2.00000
     13      -9.6770      2.00000
     14      -9.3044      2.00000
     15      -8.8782      2.00000
     16      -8.6377      2.00000
     17      -5.0282      2.00000
     18      -4.9490      2.00000
     19      -4.8133      2.00000
     20      -4.1777      2.00000
     21       1.7366      0.00000
     22       1.8974      0.00000
     23       2.8207      0.00000
     24       3.0739      0.00000
     25       3.2677      0.00000
     26       3.4091      0.00000
     27       3.5280      0.00000
     28       3.5320      0.00000

 k-point    92 :       0.4348    0.1905    0.0000
  band No.  band energies     occupation 
      1     -24.2427      2.00000
      2     -23.3896      2.00000
      3     -21.3805      2.00000
      4     -20.7625      2.00000
      5     -16.9321      2.00000
      6     -16.3323      2.00000
      7     -13.4897      2.00000
      8     -12.5530      2.00000
      9     -11.6556      2.00000
     10     -11.1484      2.00000
     11     -11.0243      2.00000
     12     -10.2265      2.00000
     13      -9.4319      2.00000
     14      -9.2184      2.00000
     15      -8.9083      2.00000
     16      -8.7925      2.00000
     17      -5.1117      2.00000
     18      -5.0566      2.00000
     19      -4.6992      2.00000
     20      -4.3134      2.00000
     21       1.9894      0.00000
     22       2.1834      0.00000
     23       2.7012      0.00000
     24       3.1709      0.00000
     25       3.2968      0.00000
     26       3.4064      0.00000
     27       3.5957      0.00000
     28       3.7117      0.00000

 k-point    93 :       0.4783    0.1905    0.0000
  band No.  band energies     occupation 
      1     -23.9804      2.00000
      2     -23.6957      2.00000
      3     -21.1799      2.00000
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      6     -16.5641      2.00000
      7     -13.1456      2.00000
      8     -12.8309      2.00000
      9     -11.4407      2.00000
     10     -11.2259      2.00000
     11     -10.8331      2.00000
     12     -10.5144      2.00000
     13      -9.1995      2.00000
     14      -9.0910      2.00000
     15      -9.0177      2.00000
     16      -8.9448      2.00000
     17      -5.1444      2.00000
     18      -5.1243      2.00000
     19      -4.5761      2.00000
     20      -4.4473      2.00000
     21       2.2533      0.00000
     22       2.4955      0.00000
     23       2.5068      0.00000
     24       2.8282      0.00000
     25       3.2750      0.00000
     26       3.4201      0.00000
     27       3.7677      0.00000
     28       3.9935      0.00000

 k-point    94 :      -0.4783    0.1905    0.0000
  band No.  band energies     occupation 
      1     -23.9804      2.00000
      2     -23.6957      2.00000
      3     -21.1798      2.00000
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      7     -13.1452      2.00000
      8     -12.8315      2.00000
      9     -11.4404      2.00000
     10     -11.2262      2.00000
     11     -10.8331      2.00000
     12     -10.5141      2.00000
     13      -9.1982      2.00000
     14      -9.0905      2.00000
     15      -9.0190      2.00000
     16      -8.9454      2.00000
     17      -5.1446      2.00000
     18      -5.1241      2.00000
     19      -4.5771      2.00000
     20      -4.4463      2.00000
     21       2.2532      0.00000
     22       2.4953      0.00000
     23       2.5068      0.00000
     24       2.8284      0.00000
     25       3.2754      0.00000
     26       3.4197      0.00000
     27       3.7676      0.00000
     28       4.0049      0.00000

 k-point    95 :      -0.4348    0.1905    0.0000
  band No.  band energies     occupation 
      1     -24.2427      2.00000
      2     -23.3896      2.00000
      3     -21.3805      2.00000
      4     -20.7626      2.00000
      5     -16.9316      2.00000
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      8     -12.5537      2.00000
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     10     -11.1482      2.00000
     11     -11.0246      2.00000
     12     -10.2259      2.00000
     13      -9.4305      2.00000
     14      -9.2181      2.00000
     15      -8.9095      2.00000
     16      -8.7932      2.00000
     17      -5.1118      2.00000
     18      -5.0563      2.00000
     19      -4.7003      2.00000
     20      -4.3125      2.00000
     21       1.9892      0.00000
     22       2.1832      0.00000
     23       2.7010      0.00000
     24       3.1712      0.00000
     25       3.2973      0.00000
     26       3.4063      0.00000
     27       3.5955      0.00000
     28       3.7117      0.00000

 k-point    96 :      -0.3913    0.1905    0.0000
  band No.  band energies     occupation 
      1     -24.4818      2.00000
      2     -23.0636      2.00000
      3     -21.5699      2.00000
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     10     -11.4102      2.00000
     11     -10.8651      2.00000
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     13      -9.6756      2.00000
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     15      -8.8793      2.00000
     16      -8.6384      2.00000
     17      -5.0284      2.00000
     18      -4.9488      2.00000
     19      -4.8144      2.00000
     20      -4.1768      2.00000
     21       1.7363      0.00000
     22       1.8973      0.00000
     23       2.8204      0.00000
     24       3.0739      0.00000
     25       3.2677      0.00000
     26       3.4090      0.00000
     27       3.5282      0.00000
     28       3.5324      0.00000

 k-point    97 :      -0.3478    0.1905    0.0000
  band No.  band energies     occupation 
      1     -24.6971      2.00000
      2     -22.7194      2.00000
      3     -21.7450      2.00000
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     10     -11.5238      2.00000
     11     -10.8189      2.00000
     12      -9.8932      2.00000
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     14      -9.3152      2.00000
     15      -8.9271      2.00000
     16      -8.4803      2.00000
     17      -4.9176      2.00000
     18      -4.9033      2.00000
     19      -4.8113      2.00000
     20      -4.0410      2.00000
     21       1.5040      0.00000
     22       1.6412      0.00000
     23       2.7766      0.00000
     24       2.9040      0.00000
     25       3.0159      0.00000
     26       3.1557      0.00000
     27       3.6636      0.00000
     28       3.6902      0.00000

 k-point    98 :      -0.3043    0.1905    0.0000
  band No.  band energies     occupation 
      1     -24.8880      2.00000
      2     -22.3598      2.00000
      3     -21.9035      2.00000
      4     -20.1971      2.00000
      5     -17.1534      2.00000
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      7     -14.6977      2.00000
      8     -12.3869      2.00000
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     10     -11.4477      2.00000
     11     -10.9673      2.00000
     12      -9.8821      2.00000
     13      -9.8684      2.00000
     14      -9.2554      2.00000
     15      -9.0431      2.00000
     16      -8.3185      2.00000
     17      -5.0081      2.00000
     18      -4.7526      2.00000
     19      -4.6550      2.00000
     20      -3.9071      2.00000
     21       1.2976      0.00000
     22       1.4170      0.00000
     23       2.5139      0.00000
     24       2.7113      0.00000
     25       2.9177      0.00000
     26       3.0674      0.00000
     27       3.4597      0.00000
     28       3.4844      0.00000

 k-point    99 :      -0.2609    0.1905    0.0000
  band No.  band energies     occupation 
      1     -25.0542      2.00000
      2     -22.0436      2.00000
      3     -21.9885      2.00000
      4     -20.0565      2.00000
      5     -17.1178      2.00000
      6     -15.1990      2.00000
      7     -15.1480      2.00000
      8     -12.5666      2.00000
      9     -12.4420      2.00000
     10     -11.3005      2.00000
     11     -11.2576      2.00000
     12      -9.9076      2.00000
     13      -9.7716      2.00000
     14      -9.2072      2.00000
     15      -9.1770      2.00000
     16      -8.1568      2.00000
     17      -5.0844      2.00000
     18      -4.5946      2.00000
     19      -4.4911      2.00000
     20      -3.7782      2.00000
     21       1.1203      0.00000
     22       1.2259      0.00000
     23       2.2864      0.00000
     24       2.4901      0.00000
     25       2.7127      0.00000
     26       3.1170      0.00000
     27       3.2572      0.00000
     28       3.3014      0.00000

 k-point   100 :      -0.2174    0.1905    0.0000
  band No.  band energies     occupation 
      1     -25.1953      2.00000
      2     -22.1639      2.00000
      3     -21.6114      2.00000
      4     -19.9487      2.00000
      5     -17.0275      2.00000
      6     -15.6062      2.00000
      7     -14.8912      2.00000
      8     -12.7399      2.00000
      9     -12.6230      2.00000
     10     -11.5916      2.00000
     11     -11.1627      2.00000
     12      -9.9254      2.00000
     13      -9.6790      2.00000
     14      -9.3678      2.00000
     15      -9.1066      2.00000
     16      -8.0042      2.00000
     17      -5.1450      2.00000
     18      -4.4468      2.00000
     19      -4.3309      2.00000
     20      -3.6585      2.00000
     21       0.9733      0.00000
     22       1.0676      0.00000
     23       2.0940      0.00000
     24       2.3010      0.00000
     25       2.5419      0.00000
     26       3.0269      0.00000
     27       3.0852      0.00000
     28       3.1937      0.00000

 k-point   101 :      -0.1739    0.1905    0.0000
  band No.  band energies     occupation 
      1     -25.3110      2.00000
      2     -22.2636      2.00000
      3     -21.2377      2.00000
      4     -19.8727      2.00000
      5     -16.8933      2.00000
      6     -16.0565      2.00000
      7     -14.5895      2.00000
      8     -12.8864      2.00000
      9     -12.8069      2.00000
     10     -11.9117      2.00000
     11     -11.0609      2.00000
     12      -9.9213      2.00000
     13      -9.7606      2.00000
     14      -9.3744      2.00000
     15      -9.0459      2.00000
     16      -7.8706      2.00000
     17      -5.1893      2.00000
     18      -4.3228      2.00000
     19      -4.1834      2.00000
     20      -3.5527      2.00000
     21       0.8565      0.00000
     22       0.9409      0.00000
     23       1.9368      0.00000
     24       2.1463      0.00000
     25       2.4042      0.00000
     26       2.8958      0.00000
     27       2.9441      0.00000
     28       3.0637      0.00000

 k-point   102 :      -0.1304    0.1905    0.0000
  band No.  band energies     occupation 
      1     -25.4012      2.00000
      2     -22.3417      2.00000
      3     -20.8830      2.00000
      4     -19.8234      2.00000
      5     -16.7350      2.00000
      6     -16.4772      2.00000
      7     -14.3071      2.00000
      8     -13.0010      2.00000
      9     -12.9963      2.00000
     10     -12.1829      2.00000
     11     -10.9982      2.00000
     12      -9.9557      2.00000
     13      -9.8994      2.00000
     14      -9.2814      2.00000
     15      -8.9916      2.00000
     16      -7.7637      2.00000
     17      -5.2186      2.00000
     18      -4.2297      2.00000
     19      -4.0569      2.00000
     20      -3.4654      2.00000
     21       0.7688      0.00000
     22       0.8440      0.00000
     23       1.8146      0.00000
     24       2.0262      0.00000
     25       2.2981      0.00000
     26       2.7857      0.00000
     27       2.8311      0.00000
     28       2.9046      0.00000

 k-point   103 :      -0.0870    0.1905    0.0000
  band No.  band energies     occupation 
      1     -25.4658      2.00000
      2     -22.3979      2.00000
      3     -20.5738      2.00000
      4     -19.7943      2.00000
      5     -16.8370      2.00000
      6     -16.5810      2.00000
      7     -14.0643      2.00000
      8     -13.1777      2.00000
      9     -13.0825      2.00000
     10     -12.3865      2.00000
     11     -10.9656      2.00000
     12     -10.1390      2.00000
     13      -9.8723      2.00000
     14      -9.1969      2.00000
     15      -8.9447      2.00000
     16      -7.6875      2.00000
     17      -5.2355      2.00000
     18      -4.1676      2.00000
     19      -3.9593      2.00000
     20      -3.4004      2.00000
     21       0.7084      0.00000
     22       0.7755      0.00000
     23       1.7273      0.00000
     24       1.9407      0.00000
     25       2.2226      0.00000
     26       2.7031      0.00000
     27       2.7460      0.00000
     28       2.7629      0.00000

 k-point   104 :      -0.0435    0.1905    0.0000
  band No.  band energies     occupation 
      1     -25.5045      2.00000
      2     -22.4318      2.00000
      3     -20.3524      2.00000
      4     -19.7795      2.00000
      5     -17.0901      2.00000
      6     -16.4662      2.00000
      7     -13.8910      2.00000
      8     -13.3156      2.00000
      9     -13.1313      2.00000
     10     -12.5157      2.00000
     11     -10.9515      2.00000
     12     -10.2663      2.00000
     13      -9.8519      2.00000
     14      -9.1424      2.00000
     15      -8.9115      2.00000
     16      -7.6427      2.00000
     17      -5.2435      2.00000
     18      -4.1329      2.00000
     19      -3.8975      2.00000
     20      -3.3605      2.00000
     21       0.6731      0.00000
     22       0.7345      0.00000
     23       1.6749      0.00000
     24       1.8896      0.00000
     25       2.1773      0.00000
     26       2.6409      0.00000
     27       2.6792      0.00000
     28       2.6920      0.00000

 k-point   105 :       0.0000    0.2381    0.0000
  band No.  band energies     occupation 
      1     -25.4062      2.00000
      2     -22.7727      2.00000
      3     -20.1852      2.00000
      4     -19.5794      2.00000
      5     -17.1452      2.00000
      6     -16.6405      2.00000
      7     -13.5162      2.00000
      8     -13.4423      2.00000
      9     -13.3503      2.00000
     10     -12.4569      2.00000
     11     -10.9616      2.00000
     12     -10.0755      2.00000
     13      -9.8418      2.00000
     14      -9.0848      2.00000
     15      -9.0191      2.00000
     16      -7.6197      2.00000
     17      -5.2883      2.00000
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 k-point   106 :       0.0435    0.2381    0.0000
  band No.  band energies     occupation 
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 k-point   107 :       0.0870    0.2381    0.0000
  band No.  band energies     occupation 
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 k-point   108 :       0.1304    0.2381    0.0000
  band No.  band energies     occupation 
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     28       2.9753      0.00000

 k-point   109 :       0.1739    0.2381    0.0000
  band No.  band energies     occupation 
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     26       3.0036      0.00000
     27       3.0256      0.00000
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 k-point   110 :       0.2174    0.2381    0.0000
  band No.  band energies     occupation 
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     26       3.1161      0.00000
     27       3.1245      0.00000
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 k-point   111 :       0.2609    0.2381    0.0000
  band No.  band energies     occupation 
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 k-point   112 :       0.3043    0.2381    0.0000
  band No.  band energies     occupation 
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 k-point   113 :       0.3478    0.2381    0.0000
  band No.  band energies     occupation 
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 k-point   114 :       0.3913    0.2381    0.0000
  band No.  band energies     occupation 
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 k-point   115 :       0.4348    0.2381    0.0000
  band No.  band energies     occupation 
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 k-point   116 :       0.4783    0.2381    0.0000
  band No.  band energies     occupation 
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 k-point   117 :      -0.4783    0.2381    0.0000
  band No.  band energies     occupation 
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 k-point   118 :      -0.4348    0.2381    0.0000
  band No.  band energies     occupation 
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 k-point   119 :      -0.3913    0.2381    0.0000
  band No.  band energies     occupation 
      1     -24.3734      2.00000
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 k-point   120 :      -0.3478    0.2381    0.0000
  band No.  band energies     occupation 
      1     -24.5880      2.00000
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     25       3.1499      0.00000
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     27       3.6279      0.00000
     28       3.8465      0.00000

 k-point   121 :      -0.3043    0.2381    0.0000
  band No.  band energies     occupation 
      1     -24.7784      2.00000
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     27       3.4696      0.00000
     28       3.6374      0.00000

 k-point   122 :      -0.2609    0.2381    0.0000
  band No.  band energies     occupation 
      1     -24.9441      2.00000
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     21       1.2387      0.00000
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     26       3.1073      0.00000
     27       3.2811      0.00000
     28       3.4164      0.00000

 k-point   123 :      -0.2174    0.2381    0.0000
  band No.  band energies     occupation 
      1     -25.0848      2.00000
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     10     -11.6949      2.00000
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 k-point   124 :      -0.1739    0.2381    0.0000
  band No.  band energies     occupation 
      1     -25.2003      2.00000
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     27       3.0253      0.00000
     28       3.1140      0.00000

 k-point   125 :      -0.1304    0.2381    0.0000
  band No.  band energies     occupation 
      1     -25.2903      2.00000
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 k-point   126 :      -0.0870    0.2381    0.0000
  band No.  band energies     occupation 
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 k-point   127 :      -0.0435    0.2381    0.0000
  band No.  band energies     occupation 
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 k-point   128 :       0.0000    0.2857    0.0000
  band No.  band energies     occupation 
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 k-point   129 :       0.0435    0.2857    0.0000
  band No.  band energies     occupation 
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 k-point   130 :       0.0870    0.2857    0.0000
  band No.  band energies     occupation 
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 k-point   131 :       0.1304    0.2857    0.0000
  band No.  band energies     occupation 
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 k-point   132 :       0.1739    0.2857    0.0000
  band No.  band energies     occupation 
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 k-point   133 :       0.2174    0.2857    0.0000
  band No.  band energies     occupation 
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 k-point   134 :       0.2609    0.2857    0.0000
  band No.  band energies     occupation 
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 k-point   135 :       0.3043    0.2857    0.0000
  band No.  band energies     occupation 
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 k-point   136 :       0.3478    0.2857    0.0000
  band No.  band energies     occupation 
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 k-point   137 :       0.3913    0.2857    0.0000
  band No.  band energies     occupation 
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 k-point   138 :       0.4348    0.2857    0.0000
  band No.  band energies     occupation 
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 k-point   139 :       0.4783    0.2857    0.0000
  band No.  band energies     occupation 
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 k-point   140 :      -0.4783    0.2857    0.0000
  band No.  band energies     occupation 
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     25       3.4580      0.00000
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     27       4.0217      0.00000
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 k-point   141 :      -0.4348    0.2857    0.0000
  band No.  band energies     occupation 
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     25       3.5004      0.00000
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     27       3.9033      0.00000
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 k-point   142 :      -0.3913    0.2857    0.0000
  band No.  band energies     occupation 
      1     -24.2416      2.00000
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 k-point   143 :      -0.3478    0.2857    0.0000
  band No.  band energies     occupation 
      1     -24.4555      2.00000
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 k-point   144 :      -0.3043    0.2857    0.0000
  band No.  band energies     occupation 
      1     -24.6452      2.00000
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     17      -5.2404      2.00000
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     19      -4.7811      2.00000
     20      -4.1611      2.00000
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     22       1.5970      0.00000
     23       2.8491      0.00000
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     25       3.0870      0.00000
     26       3.0903      0.00000
     27       3.4188      0.00000
     28       3.7281      0.00000

 k-point   145 :      -0.2609    0.2857    0.0000
  band No.  band energies     occupation 
      1     -24.8103      2.00000
      2     -22.6730      2.00000
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     11     -11.4226      2.00000
     12      -9.7470      2.00000
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     14      -9.2419      2.00000
     15      -8.8666      2.00000
     16      -8.1095      2.00000
     17      -5.2839      2.00000
     18      -4.6878      2.00000
     19      -4.6316      2.00000
     20      -4.0237      2.00000
     21       1.3868      0.00000
     22       1.4208      0.00000
     23       2.6290      0.00000
     24       2.8427      0.00000
     25       2.8992      0.00000
     26       3.0584      0.00000
     27       3.2522      0.00000
     28       3.5248      0.00000

 k-point   146 :      -0.2174    0.2857    0.0000
  band No.  band energies     occupation 
      1     -24.9506      2.00000
      2     -22.8011      2.00000
      3     -21.4000      2.00000
      4     -19.9742      2.00000
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     10     -11.6660      2.00000
     11     -11.5677      2.00000
     12      -9.7978      2.00000
     13      -9.4805      2.00000
     14      -9.2450      2.00000
     15      -8.9502      2.00000
     16      -7.9500      2.00000
     17      -5.3109      2.00000
     18      -4.5355      2.00000
     19      -4.4978      2.00000
     20      -3.8958      2.00000
     21       1.2357      0.00000
     22       1.2757      0.00000
     23       2.4419      0.00000
     24       2.6564      0.00000
     25       2.7483      0.00000
     26       3.1054      0.00000
     27       3.1305      0.00000
     28       3.3504      0.00000

 k-point   147 :      -0.1739    0.2857    0.0000
  band No.  band energies     occupation 
      1     -25.0657      2.00000
      2     -22.9065      2.00000
      3     -21.0323      2.00000
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     10     -11.8581      2.00000
     11     -11.3752      2.00000
     12      -9.8375      2.00000
     13      -9.5013      2.00000
     14      -9.2535      2.00000
     15      -8.9871      2.00000
     16      -7.8223      2.00000
     17      -5.3231      2.00000
     18      -4.3984      2.00000
     19      -4.3838      2.00000
     20      -3.7819      2.00000
     21       1.1144      0.00000
     22       1.1593      0.00000
     23       2.2882      0.00000
     24       2.5014      0.00000
     25       2.6281      0.00000
     26       3.0585      0.00000
     27       3.0664      0.00000
     28       3.2105      0.00000

 k-point   148 :      -0.1304    0.2857    0.0000
  band No.  band energies     occupation 
      1     -25.1554      2.00000
      2     -22.9890      2.00000
      3     -20.6841      2.00000
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     10     -12.0094      2.00000
     11     -11.2176      2.00000
     12      -9.8606      2.00000
     13      -9.6068      2.00000
     14      -9.2627      2.00000
     15      -8.9663      2.00000
     16      -7.7297      2.00000
     17      -5.3239      2.00000
     18      -4.3121      2.00000
     19      -4.2662      2.00000
     20      -3.6869      2.00000
     21       1.0224      0.00000
     22       1.0695      0.00000
     23       2.1680      0.00000
     24       2.3806      0.00000
     25       2.5340      0.00000
     26       2.9615      0.00000
     27       3.0142      0.00000
     28       3.1171      0.00000

 k-point   149 :      -0.0870    0.2857    0.0000
  band No.  band energies     occupation 
      1     -25.2196      2.00000
      2     -23.0482      2.00000
      3     -20.3813      2.00000
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      8     -13.4177      2.00000
      9     -13.3574      2.00000
     10     -12.1295      2.00000
     11     -11.1041      2.00000
     12      -9.8687      2.00000
     13      -9.7337      2.00000
     14      -9.2694      2.00000
     15      -8.9285      2.00000
     16      -7.6702      2.00000
     17      -5.3181      2.00000
     18      -4.2574      2.00000
     19      -4.1713      2.00000
     20      -3.6155      2.00000
     21       0.9584      0.00000
     22       1.0052      0.00000
     23       2.0819      0.00000
     24       2.2944      0.00000
     25       2.4655      0.00000
     26       2.8486      0.00000
     27       2.9644      0.00000
     28       3.0830      0.00000

 k-point   150 :      -0.0435    0.2857    0.0000
  band No.  band energies     occupation 
      1     -25.2581      2.00000
      2     -23.0838      2.00000
      3     -20.1651      2.00000
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      8     -13.5248      2.00000
      9     -13.2332      2.00000
     10     -12.2164      2.00000
     11     -11.0372      2.00000
     12      -9.8685      2.00000
     13      -9.8304      2.00000
     14      -9.2727      2.00000
     15      -8.8999      2.00000
     16      -7.6384      2.00000
     17      -5.3115      2.00000
     18      -4.2263      2.00000
     19      -4.1111      2.00000
     20      -3.5711      2.00000
     21       0.9209      0.00000
     22       0.9666      0.00000
     23       2.0301      0.00000
     24       2.2428      0.00000
     25       2.4239      0.00000
     26       2.7678      0.00000
     27       2.9233      0.00000
     28       3.0763      0.00000

 k-point   151 :       0.0000    0.3333    0.0000
  band No.  band energies     occupation 
      1     -25.1122      2.00000
      2     -23.4080      2.00000
      3     -19.9708      2.00000
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     10     -11.9866      2.00000
     11     -11.1158      2.00000
     12      -9.9534      2.00000
     13      -9.7006      2.00000
     14      -9.4268      2.00000
     15      -8.7336      2.00000
     16      -7.6636      2.00000
     17      -5.2952      2.00000
     18      -4.3159      2.00000
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     20      -3.6785      2.00000
     21       1.0766      0.00000
     22       1.1252      0.00000
     23       2.2431      0.00000
     24       2.4542      0.00000
     25       2.5645      0.00000
     26       2.7824      0.00000
     27       3.0182      0.00000
     28       3.1886      0.00000

 k-point   152 :       0.0435    0.3333    0.0000
  band No.  band energies     occupation 
      1     -25.0994      2.00000
      2     -23.3959      2.00000
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     10     -11.9538      2.00000
     11     -11.1480      2.00000
     12      -9.9479      2.00000
     13      -9.6713      2.00000
     14      -9.4216      2.00000
     15      -8.7382      2.00000
     16      -7.6704      2.00000
     17      -5.3006      2.00000
     18      -4.3288      2.00000
     19      -4.1924      2.00000
     20      -3.6943      2.00000
     21       1.0894      0.00000
     22       1.1379      0.00000
     23       2.2602      0.00000
     24       2.4716      0.00000
     25       2.5782      0.00000
     26       2.8064      0.00000
     27       3.0271      0.00000
     28       3.1897      0.00000

 k-point   153 :       0.0870    0.3333    0.0000
  band No.  band energies     occupation 
      1     -25.0610      2.00000
      2     -23.3597      2.00000
      3     -20.2617      2.00000
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     10     -11.8719      2.00000
     11     -11.2426      2.00000
     12      -9.9297      2.00000
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     14      -9.4067      2.00000
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     16      -7.6940      2.00000
     17      -5.3153      2.00000
     18      -4.3691      2.00000
     19      -4.2418      2.00000
     20      -3.7403      2.00000
     21       1.1282      0.00000
     22       1.1760      0.00000
     23       2.3114      0.00000
     24       2.5237      0.00000
     25       2.6188      0.00000
     26       2.8725      0.00000
     27       3.0446      0.00000
     28       3.2009      0.00000

 k-point   154 :       0.1304    0.3333    0.0000
  band No.  band energies     occupation 
      1     -24.9970      2.00000
      2     -23.2995      2.00000
      3     -20.5595      2.00000
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     10     -11.7642      2.00000
     11     -11.3924      2.00000
     12      -9.8977      2.00000
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     14      -9.3835      2.00000
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     17      -5.3341      2.00000
     18      -4.4411      2.00000
     19      -4.3157      2.00000
     20      -3.8142      2.00000
     21       1.1940      0.00000
     22       1.2389      0.00000
     23       2.3962      0.00000
     24       2.6105      0.00000
     25       2.6847      0.00000
     26       2.9610      0.00000
     27       3.0497      0.00000
     28       3.2487      0.00000

 k-point   155 :       0.1739    0.3333    0.0000
  band No.  band energies     occupation 
      1     -24.9077      2.00000
      2     -23.2154      2.00000
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     10     -11.6377      2.00000
     11     -11.5864      2.00000
     12      -9.8523      2.00000
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     14      -9.3539      2.00000
     15      -8.7639      2.00000
     16      -7.8221      2.00000
     17      -5.3507      2.00000
     18      -4.5457      2.00000
     19      -4.4081      2.00000
     20      -3.9118      2.00000
     21       1.2882      0.00000
     22       1.3262      0.00000
     23       2.5138      0.00000
     24       2.7318      0.00000
     25       2.7717      0.00000
     26       3.0338      0.00000
     27       3.0555      0.00000
     28       3.3446      0.00000

 k-point   156 :       0.2174    0.3333    0.0000
  band No.  band energies     occupation 
      1     -24.7930      2.00000
      2     -23.1079      2.00000
      3     -21.2662      2.00000
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     10     -11.8090      2.00000
     11     -11.4898      2.00000
     12      -9.7966      2.00000
     13      -9.3978      2.00000
     14      -9.3208      2.00000
     15      -8.7409      2.00000
     16      -7.9400      2.00000
     17      -5.3590      2.00000
     18      -4.6755      2.00000
     19      -4.5194      2.00000
     20      -4.0283      2.00000
     21       1.4116      0.00000
     22       1.4384      0.00000
     23       2.6616      0.00000
     24       2.8750      0.00000
     25       2.8860      0.00000
     26       3.0445      0.00000
     27       3.1060      0.00000
     28       3.4794      0.00000

 k-point   157 :       0.2609    0.3333    0.0000
  band No.  band energies     occupation 
      1     -24.6533      2.00000
      2     -22.9772      2.00000
      3     -21.6341      2.00000
      4     -20.3517      2.00000
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      8     -12.7833      2.00000
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     10     -12.0306      2.00000
     11     -11.3140      2.00000
     12      -9.7378      2.00000
     13      -9.4384      2.00000
     14      -9.2875      2.00000
     15      -8.7033      2.00000
     16      -8.0951      2.00000
     17      -5.3545      2.00000
     18      -4.8181      2.00000
     19      -4.6508      2.00000
     20      -4.1588      2.00000
     21       1.5645      0.00000
     22       1.5774      0.00000
     23       2.8350      0.00000
     24       2.9712      0.00000
     25       3.0041      0.00000
     26       3.0892      0.00000
     27       3.2228      0.00000
     28       3.6444      0.00000

 k-point   158 :       0.3043    0.3333    0.0000
  band No.  band energies     occupation 
      1     -24.4889      2.00000
      2     -22.8240      2.00000
      3     -21.9974      2.00000
      4     -20.6334      2.00000
      5     -16.6880      2.00000
      6     -15.1070      2.00000
      7     -14.5398      2.00000
      8     -12.6153      2.00000
      9     -12.1152      2.00000
     10     -11.8134      2.00000
     11     -11.1043      2.00000
     12      -9.6909      2.00000
     13      -9.5200      2.00000
     14      -9.2555      2.00000
     15      -8.6808      2.00000
     16      -8.2800      2.00000
     17      -5.3337      2.00000
     18      -4.9605      2.00000
     19      -4.7978      2.00000
     20      -4.2993      2.00000
     21       1.7456      0.00000
     22       1.7464      0.00000
     23       2.8977      0.00000
     24       3.0293      0.00000
     25       3.1826      0.00000
     26       3.3105      0.00000
     27       3.3936      0.00000
     28       3.8205      0.00000

 k-point   159 :       0.3478    0.3333    0.0000
  band No.  band energies     occupation 
      1     -24.3000      2.00000
      2     -22.6487      2.00000
      3     -22.3501      2.00000
      4     -20.9203      2.00000
      5     -16.5404      2.00000
      6     -14.8464      2.00000
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      8     -12.7660      2.00000
      9     -11.8523      2.00000
     10     -11.5079      2.00000
     11     -10.8720      2.00000
     12      -9.6854      2.00000
     13      -9.6059      2.00000
     14      -9.2203      2.00000
     15      -8.7011      2.00000
     16      -8.4776      2.00000
     17      -5.2932      2.00000
     18      -5.0906      2.00000
     19      -4.9490      2.00000
     20      -4.4466      2.00000
     21       1.9475      0.00000
     22       1.9529      0.00000
     23       2.8595      0.00000
     24       3.2433      0.00000
     25       3.4104      0.00000
     26       3.5700      0.00000
     27       3.5962      0.00000
     28       3.9204      0.00000

 k-point   160 :       0.3913    0.3333    0.0000
  band No.  band energies     occupation 
      1     -24.0871      2.00000
      2     -22.6883      2.00000
      3     -22.4524      2.00000
      4     -21.2053      2.00000
      5     -16.3647      2.00000
      6     -15.1427      2.00000
      7     -14.4855      2.00000
      8     -13.0285      2.00000
      9     -11.4593      2.00000
     10     -11.2507      2.00000
     11     -10.6762      2.00000
     12      -9.7658      2.00000
     13      -9.6391      2.00000
     14      -9.1705      2.00000
     15      -8.7808      2.00000
     16      -8.6614      2.00000
     17      -5.2298      2.00000
     18      -5.1964      2.00000
     19      -5.0885      2.00000
     20      -4.5982      2.00000
     21       2.1812      0.00000
     22       2.1828      0.00000
     23       2.8873      0.00000
     24       3.4174      0.00000
     25       3.6381      0.00000
     26       3.7876      0.00000
     27       3.8454      0.00000
     28       3.9064      0.00000

 k-point   161 :       0.4348    0.3333    0.0000
  band No.  band energies     occupation 
      1     -23.8508      2.00000
      2     -23.0092      2.00000
      3     -22.2361      2.00000
      4     -21.4830      2.00000
      5     -16.1631      2.00000
      6     -15.4253      2.00000
      7     -14.1880      2.00000
      8     -13.3125      2.00000
      9     -11.0412      2.00000
     10     -11.0290      2.00000
     11     -10.6092      2.00000
     12      -9.9618      2.00000
     13      -9.5499      2.00000
     14      -9.1013      2.00000
     15      -8.9243      2.00000
     16      -8.8094      2.00000
     17      -5.2673      2.00000
     18      -5.1998      2.00000
     19      -5.1410      2.00000
     20      -4.7500      2.00000
     21       2.4314      0.00000
     22       2.4440      0.00000
     23       2.9554      0.00000
     24       3.2988      0.00000
     25       3.6215      0.00000
     26       3.8634      0.00000
     27       4.0472      0.00000
     28       4.0590      0.00000

 k-point   162 :       0.4783    0.3333    0.0000
  band No.  band energies     occupation 
      1     -23.5918      2.00000
      2     -23.3109      2.00000
      3     -22.0011      2.00000
      4     -21.7493      2.00000
      5     -15.9380      2.00000
      6     -15.6911      2.00000
      7     -13.8944      2.00000
      8     -13.6024      2.00000
      9     -10.8363      2.00000
     10     -10.6833      2.00000
     11     -10.6326      2.00000
     12     -10.2620      2.00000
     13      -9.3509      2.00000
     14      -9.1227      2.00000
     15      -9.0182      2.00000
     16      -8.9231      2.00000
     17      -5.2942      2.00000
     18      -5.2700      2.00000
     19      -5.0278      2.00000
     20      -4.8960      2.00000
     21       2.6900      0.00000
     22       2.7293      0.00000
     23       2.9111      0.00000
     24       3.0244      0.00000
     25       3.5605      0.00000
     26       3.7655      0.00000
     27       4.1141      0.00000
     28       4.2436      0.00000

 k-point   163 :      -0.4783    0.3333    0.0000
  band No.  band energies     occupation 
      1     -23.5918      2.00000
      2     -23.3109      2.00000
      3     -22.0011      2.00000
      4     -21.7493      2.00000
      5     -15.9377      2.00000
      6     -15.6915      2.00000
      7     -13.8942      2.00000
      8     -13.6026      2.00000
      9     -10.8366      2.00000
     10     -10.6830      2.00000
     11     -10.6327      2.00000
     12     -10.2617      2.00000
     13      -9.3496      2.00000
     14      -9.1239      2.00000
     15      -9.0175      2.00000
     16      -8.9239      2.00000
     17      -5.2922      2.00000
     18      -5.2719      2.00000
     19      -5.0291      2.00000
     20      -4.8948      2.00000
     21       2.6900      0.00000
     22       2.7291      0.00000
     23       2.9109      0.00000
     24       3.0246      0.00000
     25       3.5605      0.00000
     26       3.7657      0.00000
     27       4.1140      0.00000
     28       4.2433      0.00000

 k-point   164 :      -0.4348    0.3333    0.0000
  band No.  band energies     occupation 
      1     -23.8508      2.00000
      2     -23.0092      2.00000
      3     -22.2360      2.00000
      4     -21.4831      2.00000
      5     -16.1628      2.00000
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     11     -10.6087      2.00000
     12      -9.9613      2.00000
     13      -9.5486      2.00000
     14      -9.1008      2.00000
     15      -8.9254      2.00000
     16      -8.8102      2.00000
     17      -5.2654      2.00000
     18      -5.2016      2.00000
     19      -5.1423      2.00000
     20      -4.7487      2.00000
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     22       2.4439      0.00000
     23       2.9552      0.00000
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     25       3.6215      0.00000
     26       3.8635      0.00000
     27       4.0470      0.00000
     28       4.0590      0.00000

 k-point   165 :      -0.3913    0.3333    0.0000
  band No.  band energies     occupation 
      1     -24.0871      2.00000
      2     -22.6883      2.00000
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     10     -11.2513      2.00000
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     12      -9.7651      2.00000
     13      -9.6382      2.00000
     14      -9.1705      2.00000
     15      -8.7818      2.00000
     16      -8.6622      2.00000
     17      -5.2312      2.00000
     18      -5.1946      2.00000
     19      -5.0901      2.00000
     20      -4.5970      2.00000
     21       2.1811      0.00000
     22       2.1825      0.00000
     23       2.8870      0.00000
     24       3.4174      0.00000
     25       3.6382      0.00000
     26       3.7875      0.00000
     27       3.8448      0.00000
     28       3.8990      0.00000

 k-point   166 :      -0.3478    0.3333    0.0000
  band No.  band energies     occupation 
      1     -24.3000      2.00000
      2     -22.6487      2.00000
      3     -22.3501      2.00000
      4     -20.9204      2.00000
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      8     -12.7665      2.00000
      9     -11.8521      2.00000
     10     -11.5087      2.00000
     11     -10.8704      2.00000
     12      -9.6843      2.00000
     13      -9.6055      2.00000
     14      -9.2208      2.00000
     15      -8.7019      2.00000
     16      -8.4782      2.00000
     17      -5.2947      2.00000
     18      -5.0889      2.00000
     19      -4.9504      2.00000
     20      -4.4455      2.00000
     21       1.9475      0.00000
     22       1.9526      0.00000
     23       2.8593      0.00000
     24       3.2434      0.00000
     25       3.4104      0.00000
     26       3.5700      0.00000
     27       3.5952      0.00000
     28       3.9207      0.00000

 k-point   167 :      -0.3043    0.3333    0.0000
  band No.  band energies     occupation 
      1     -24.4889      2.00000
      2     -22.8239      2.00000
      3     -21.9974      2.00000
      4     -20.6335      2.00000
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      7     -14.5404      2.00000
      8     -12.6160      2.00000
      9     -12.1148      2.00000
     10     -11.8144      2.00000
     11     -11.1023      2.00000
     12      -9.6895      2.00000
     13      -9.5200      2.00000
     14      -9.2564      2.00000
     15      -8.6813      2.00000
     16      -8.2805      2.00000
     17      -5.3351      2.00000
     18      -4.9590      2.00000
     19      -4.7990      2.00000
     20      -4.2982      2.00000
     21       1.7453      0.00000
     22       1.7464      0.00000
     23       2.8975      0.00000
     24       3.0294      0.00000
     25       3.1828      0.00000
     26       3.3105      0.00000
     27       3.3925      0.00000
     28       3.8200      0.00000

 k-point   168 :      -0.2609    0.3333    0.0000
  band No.  band energies     occupation 
      1     -24.6533      2.00000
      2     -22.9772      2.00000
      3     -21.6341      2.00000
      4     -20.3518      2.00000
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      7     -14.2283      2.00000
      8     -12.7837      2.00000
      9     -12.1662      2.00000
     10     -12.0306      2.00000
     11     -11.3119      2.00000
     12      -9.7363      2.00000
     13      -9.4388      2.00000
     14      -9.2885      2.00000
     15      -8.7035      2.00000
     16      -8.0955      2.00000
     17      -5.3559      2.00000
     18      -4.8167      2.00000
     19      -4.6518      2.00000
     20      -4.1579      2.00000
     21       1.5642      0.00000
     22       1.5774      0.00000
     23       2.8351      0.00000
     24       2.9708      0.00000
     25       3.0044      0.00000
     26       3.0892      0.00000
     27       3.2217      0.00000
     28       3.6437      0.00000

 k-point   169 :      -0.2174    0.3333    0.0000
  band No.  band energies     occupation 
      1     -24.7930      2.00000
      2     -23.1079      2.00000
      3     -21.2661      2.00000
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      6     -15.7831      2.00000
      7     -13.9166      2.00000
      8     -13.0550      2.00000
      9     -12.5410      2.00000
     10     -11.8091      2.00000
     11     -11.4877      2.00000
     12      -9.7949      2.00000
     13      -9.3986      2.00000
     14      -9.3219      2.00000
     15      -8.7407      2.00000
     16      -7.9403      2.00000
     17      -5.3603      2.00000
     18      -4.6744      2.00000
     19      -4.5203      2.00000
     20      -4.0275      2.00000
     21       1.4114      0.00000
     22       1.4384      0.00000
     23       2.6616      0.00000
     24       2.8753      0.00000
     25       2.8859      0.00000
     26       3.0443      0.00000
     27       3.1053      0.00000
     28       3.4786      0.00000

 k-point   170 :      -0.1739    0.3333    0.0000
  band No.  band energies     occupation 
      1     -24.9077      2.00000
      2     -23.2154      2.00000
      3     -20.9028      2.00000
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     10     -11.6357      2.00000
     11     -11.5866      2.00000
     12      -9.8507      2.00000
     13      -9.4212      2.00000
     14      -9.3550      2.00000
     15      -8.7634      2.00000
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     17      -5.3518      2.00000
     18      -4.5448      2.00000
     19      -4.4088      2.00000
     20      -3.9111      2.00000
     21       1.2880      0.00000
     22       1.3262      0.00000
     23       2.5138      0.00000
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     25       2.7718      0.00000
     26       3.0337      0.00000
     27       3.0554      0.00000
     28       3.3437      0.00000

 k-point   171 :      -0.1304    0.3333    0.0000
  band No.  band energies     occupation 
      1     -24.9970      2.00000
      2     -23.2995      2.00000
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     10     -11.7623      2.00000
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     12      -9.8962      2.00000
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     18      -4.4405      2.00000
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     20      -3.8137      2.00000
     21       1.1938      0.00000
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     24       2.6105      0.00000
     25       2.6846      0.00000
     26       2.9610      0.00000
     27       3.0500      0.00000
     28       3.2478      0.00000

 k-point   172 :      -0.0870    0.3333    0.0000
  band No.  band energies     occupation 
      1     -25.0610      2.00000
      2     -23.3597      2.00000
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     10     -11.8703      2.00000
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     12      -9.9285      2.00000
     13      -9.5950      2.00000
     14      -9.4076      2.00000
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     16      -7.6941      2.00000
     17      -5.3159      2.00000
     18      -4.3688      2.00000
     19      -4.2420      2.00000
     20      -3.7400      2.00000
     21       1.1281      0.00000
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     23       2.3114      0.00000
     24       2.5237      0.00000
     25       2.6187      0.00000
     26       2.8726      0.00000
     27       3.0450      0.00000
     28       3.2004      0.00000

 k-point   173 :      -0.0435    0.3333    0.0000
  band No.  band energies     occupation 
      1     -25.0994      2.00000
      2     -23.3959      2.00000
      3     -20.0495      2.00000
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      8     -13.6902      2.00000
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     11     -11.1482      2.00000
     12      -9.9472      2.00000
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     17      -5.3009      2.00000
     18      -4.3287      2.00000
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     20      -3.6941      2.00000
     21       1.0893      0.00000
     22       1.1379      0.00000
     23       2.2602      0.00000
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     25       2.5781      0.00000
     26       2.8065      0.00000
     27       3.0273      0.00000
     28       3.1896      0.00000

 k-point   174 :       0.0000    0.3810    0.0000
  band No.  band energies     occupation 
      1     -24.9304      2.00000
      2     -23.7067      2.00000
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     10     -11.6872      2.00000
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     12     -10.1376      2.00000
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     15      -8.5530      2.00000
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     19      -4.1953      2.00000
     20      -3.8043      2.00000
     21       1.2727      0.00000
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     23       2.4886      0.00000
     24       2.6506      0.00000
     25       2.6845      0.00000
     26       2.7827      0.00000
     27       3.0600      0.00000
     28       3.3495      0.00000

 k-point   175 :       0.0435    0.3810    0.0000
  band No.  band energies     occupation 
      1     -24.9177      2.00000
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     10     -11.6545      2.00000
     11     -11.3065      2.00000
     12     -10.1231      2.00000
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     14      -9.4952      2.00000
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     16      -7.7371      2.00000
     17      -5.2487      2.00000
     18      -4.4923      2.00000
     19      -4.2106      2.00000
     20      -3.8204      2.00000
     21       1.2859      0.00000
     22       1.3481      0.00000
     23       2.5046      0.00000
     24       2.6642      0.00000
     25       2.7031      0.00000
     26       2.7998      0.00000
     27       3.0673      0.00000
     28       3.3570      0.00000

 k-point   176 :       0.0870    0.3810    0.0000
  band No.  band energies     occupation 
      1     -24.8794      2.00000
      2     -23.6577      2.00000
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     10     -11.5743      2.00000
     11     -11.4256      2.00000
     12     -10.0834      2.00000
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     14      -9.4752      2.00000
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     16      -7.7516      2.00000
     17      -5.2717      2.00000
     18      -4.5369      2.00000
     19      -4.2548      2.00000
     20      -3.8673      2.00000
     21       1.3259      0.00000
     22       1.3862      0.00000
     23       2.5518      0.00000
     24       2.7048      0.00000
     25       2.7572      0.00000
     26       2.8479      0.00000
     27       3.0833      0.00000
     28       3.3607      0.00000

 k-point   177 :       0.1304    0.3810    0.0000
  band No.  band energies     occupation 
      1     -24.8158      2.00000
      2     -23.5967      2.00000
      3     -20.4212      2.00000
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      8     -13.3876      2.00000
      9     -13.0090      2.00000
     10     -11.6051      2.00000
     11     -11.4717      2.00000
     12     -10.0267      2.00000
     13      -9.4438      2.00000
     14      -9.4317      2.00000
     15      -8.5486      2.00000
     16      -7.7860      2.00000
     17      -5.3041      2.00000
     18      -4.6107      2.00000
     19      -4.3240      2.00000
     20      -3.9423      2.00000
     21       1.3934      0.00000
     22       1.4488      0.00000
     23       2.6282      0.00000
     24       2.7715      0.00000
     25       2.8405      0.00000
     26       2.9174      0.00000
     27       3.0892      0.00000
     28       3.3689      0.00000

 k-point   178 :       0.1739    0.3810    0.0000
  band No.  band energies     occupation 
      1     -24.7268      2.00000
      2     -23.5114      2.00000
      3     -20.7581      2.00000
      4     -19.9560      2.00000
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      6     -16.2056      2.00000
      7     -13.3648      2.00000
      8     -13.3031      2.00000
      9     -13.0383      2.00000
     10     -11.8264      2.00000
     11     -11.3560      2.00000
     12      -9.9600      2.00000
     13      -9.4026      2.00000
     14      -9.3684      2.00000
     15      -8.5445      2.00000
     16      -7.8509      2.00000
     17      -5.3392      2.00000
     18      -4.7112      2.00000
     19      -4.4144      2.00000
     20      -4.0410      2.00000
     21       1.4895      0.00000
     22       1.5348      0.00000
     23       2.7269      0.00000
     24       2.8610      0.00000
     25       2.9220      0.00000
     26       3.0095      0.00000
     27       3.0880      0.00000
     28       3.4309      0.00000

 k-point   179 :       0.2174    0.3810    0.0000
  band No.  band energies     occupation 
      1     -24.6127      2.00000
      2     -23.4022      2.00000
      3     -21.1156      2.00000
      4     -20.2353      2.00000
      5     -16.7378      2.00000
      6     -15.8971      2.00000
      7     -13.5987      2.00000
      8     -13.0901      2.00000
      9     -12.6617      2.00000
     10     -12.0696      2.00000
     11     -11.2275      2.00000
     12      -9.8891      2.00000
     13      -9.3548      2.00000
     14      -9.3377      2.00000
     15      -8.5416      2.00000
     16      -7.9542      2.00000
     17      -5.3702      2.00000
     18      -4.8320      2.00000
     19      -4.5247      2.00000
     20      -4.1584      2.00000
     21       1.6148      0.00000
     22       1.6440      0.00000
     23       2.8285      0.00000
     24       2.9351      0.00000
     25       2.9720      0.00000
     26       3.1386      0.00000
     27       3.1550      0.00000
     28       3.5459      0.00000

 k-point   180 :       0.2609    0.3810    0.0000
  band No.  band energies     occupation 
      1     -24.4737      2.00000
      2     -23.2694      2.00000
      3     -21.4786      2.00000
      4     -20.5336      2.00000
      5     -16.6129      2.00000
      6     -15.5946      2.00000
      7     -13.9089      2.00000
      8     -12.8054      2.00000
      9     -12.2858      2.00000
     10     -12.2557      2.00000
     11     -11.0847      2.00000
     12      -9.8203      2.00000
     13      -9.3495      2.00000
     14      -9.3033      2.00000
     15      -8.5482      2.00000
     16      -8.0989      2.00000
     17      -5.3913      2.00000
     18      -4.9632      2.00000
     19      -4.6541      2.00000
     20      -4.2901      2.00000
     21       1.7689      0.00000
     22       1.7776      0.00000
     23       2.8889      0.00000
     24       2.9233      0.00000
     25       3.1206      0.00000
     26       3.2723      0.00000
     27       3.3442      0.00000
     28       3.6959      0.00000

 k-point   181 :       0.3043    0.3810    0.0000
  band No.  band energies     occupation 
      1     -24.3101      2.00000
      2     -23.1134      2.00000
      3     -21.8376      2.00000
      4     -20.8401      2.00000
      5     -16.4637      2.00000
      6     -15.3017      2.00000
      7     -14.2212      2.00000
      8     -12.7818      2.00000
      9     -12.2064      2.00000
     10     -11.8470      2.00000
     11     -10.9263      2.00000
     12      -9.7643      2.00000
     13      -9.3988      2.00000
     14      -9.2517      2.00000
     15      -8.5790      2.00000
     16      -8.2807      2.00000
     17      -5.3970      2.00000
     18      -5.0926      2.00000
     19      -4.7994      2.00000
     20      -4.4325      2.00000
     21       1.9393      0.00000
     22       1.9503      0.00000
     23       2.8421      0.00000
     24       3.0475      0.00000
     25       3.3057      0.00000
     26       3.4651      0.00000
     27       3.5695      0.00000
     28       3.8600      0.00000

 k-point   182 :       0.3478    0.3810    0.0000
  band No.  band energies     occupation 
      1     -24.1222      2.00000
      2     -22.9349      2.00000
      3     -22.1866      2.00000
      4     -21.1465      2.00000
      5     -16.2912      2.00000
      6     -15.0168      2.00000
      7     -14.5292      2.00000
      8     -13.0252      2.00000
      9     -11.8336      2.00000
     10     -11.4611      2.00000
     11     -10.7553      2.00000
     12      -9.7408      2.00000
     13      -9.4676      2.00000
     14      -9.2016      2.00000
     15      -8.6496      2.00000
     16      -8.4857      2.00000
     17      -5.3818      2.00000
     18      -5.2077      2.00000
     19      -4.9516      2.00000
     20      -4.5828      2.00000
     21       2.1332      0.00000
     22       2.1561      0.00000
     23       2.8474      0.00000
     24       3.2207      0.00000
     25       3.5063      0.00000
     26       3.6953      0.00000
     27       3.8275      0.00000
     28       4.0181      0.00000

 k-point   183 :       0.3913    0.3810    0.0000
  band No.  band energies     occupation 
      1     -23.9106      2.00000
      2     -22.7345      2.00000
      3     -22.5217      2.00000
      4     -21.4468      2.00000
      5     -16.0962      2.00000
      6     -14.8285      2.00000
      7     -14.7363      2.00000
      8     -13.3090      2.00000
      9     -11.4060      2.00000
     10     -11.1233      2.00000
     11     -10.5908      2.00000
     12      -9.7839      2.00000
     13      -9.5201      2.00000
     14      -9.1522      2.00000
     15      -8.7705      2.00000
     16      -8.6866      2.00000
     17      -5.3398      2.00000
     18      -5.2961      2.00000
     19      -5.0972      2.00000
     20      -4.7378      2.00000
     21       2.3607      0.00000
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     25       3.6648      0.00000
     26       3.9243      0.00000
     27       3.9486      0.00000
     28       4.1211      0.00000

 k-point   184 :       0.4348    0.3810    0.0000
  band No.  band energies     occupation 
      1     -23.6757      2.00000
      2     -22.8400      2.00000
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     11     -10.4898      2.00000
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     16      -8.8487      2.00000
     17      -5.3470      2.00000
     18      -5.2672      2.00000
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     20      -4.8920      2.00000
     21       2.6183      0.00000
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     23       3.0609      0.00000
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     25       3.7385      0.00000
     26       3.8111      0.00000
     27       4.1181      0.00000
     28       4.1609      0.00000

 k-point   185 :       0.4783    0.3810    0.0000
  band No.  band energies     occupation 
      1     -23.4183      2.00000
      2     -23.1393      2.00000
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     10     -10.5626      2.00000
     11     -10.5120      2.00000
     12     -10.2040      2.00000
     13      -9.3584      2.00000
     14      -9.1505      2.00000
     15      -9.0379      2.00000
     16      -8.9597      2.00000
     17      -5.3527      2.00000
     18      -5.3084      2.00000
     19      -5.1645      2.00000
     20      -5.0377      2.00000
     21       2.8873      0.00000
     22       2.8969      0.00000
     23       3.0909      0.00000
     24       3.1781      0.00000
     25       3.6515      0.00000
     26       3.8585      0.00000
     27       4.0451      0.00000
     28       4.2008      0.00000

 k-point   186 :      -0.4783    0.3810    0.0000
  band No.  band energies     occupation 
      1     -23.4183      2.00000
      2     -23.1393      2.00000
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     10     -10.5627      2.00000
     11     -10.5111      2.00000
     12     -10.2039      2.00000
     13      -9.3572      2.00000
     14      -9.1516      2.00000
     15      -9.0371      2.00000
     16      -8.9606      2.00000
     17      -5.3510      2.00000
     18      -5.3100      2.00000
     19      -5.1659      2.00000
     20      -5.0363      2.00000
     21       2.8874      0.00000
     22       2.8968      0.00000
     23       3.0906      0.00000
     24       3.1783      0.00000
     25       3.6512      0.00000
     26       3.8588      0.00000
     27       4.0451      0.00000
     28       4.2004      0.00000

 k-point   187 :      -0.4348    0.3810    0.0000
  band No.  band energies     occupation 
      1     -23.6757      2.00000
      2     -22.8399      2.00000
      3     -22.5131      2.00000
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      8     -13.5993      2.00000
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     10     -10.8508      2.00000
     11     -10.4885      2.00000
     12      -9.9345      2.00000
     13      -9.4958      2.00000
     14      -9.0986      2.00000
     15      -8.9433      2.00000
     16      -8.8496      2.00000
     17      -5.3453      2.00000
     18      -5.2687      2.00000
     19      -5.2223      2.00000
     20      -4.8907      2.00000
     21       2.6183      0.00000
     22       2.6296      0.00000
     23       3.0606      0.00000
     24       3.4108      0.00000
     25       3.7383      0.00000
     26       3.8109      0.00000
     27       4.1176      0.00000
     28       4.1612      0.00000

 k-point   188 :      -0.3913    0.3810    0.0000
  band No.  band energies     occupation 
      1     -23.9106      2.00000
      2     -22.7344      2.00000
      3     -22.5217      2.00000
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      8     -13.3092      2.00000
      9     -11.4060      2.00000
     10     -11.1243      2.00000
     11     -10.5891      2.00000
     12      -9.7837      2.00000
     13      -9.5197      2.00000
     14      -9.1518      2.00000
     15      -8.7713      2.00000
     16      -8.6873      2.00000
     17      -5.3413      2.00000
     18      -5.2945      2.00000
     19      -5.0987      2.00000
     20      -4.7366      2.00000
     21       2.3607      0.00000
     22       2.3829      0.00000
     23       2.9276      0.00000
     24       3.4116      0.00000
     25       3.6641      0.00000
     26       3.9245      0.00000
     27       3.9484      0.00000
     28       4.1210      0.00000

 k-point   189 :      -0.3478    0.3810    0.0000
  band No.  band energies     occupation 
      1     -24.1222      2.00000
      2     -22.9349      2.00000
      3     -22.1866      2.00000
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      8     -13.0254      2.00000
      9     -11.8335      2.00000
     10     -11.4620      2.00000
     11     -10.7535      2.00000
     12      -9.7404      2.00000
     13      -9.4675      2.00000
     14      -9.2016      2.00000
     15      -8.6501      2.00000
     16      -8.4863      2.00000
     17      -5.3833      2.00000
     18      -5.2062      2.00000
     19      -4.9529      2.00000
     20      -4.5817      2.00000
     21       2.1333      0.00000
     22       2.1558      0.00000
     23       2.8472      0.00000
     24       3.2208      0.00000
     25       3.5053      0.00000
     26       3.6952      0.00000
     27       3.8276      0.00000
     28       4.0086      0.00000

 k-point   190 :      -0.3043    0.3810    0.0000
  band No.  band energies     occupation 
      1     -24.3101      2.00000
      2     -23.1134      2.00000
      3     -21.8376      2.00000
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      8     -12.7822      2.00000
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     10     -11.8478      2.00000
     11     -10.9245      2.00000
     12      -9.7638      2.00000
     13      -9.3991      2.00000
     14      -9.2519      2.00000
     15      -8.5793      2.00000
     16      -8.2811      2.00000
     17      -5.3985      2.00000
     18      -5.0912      2.00000
     19      -4.8005      2.00000
     20      -4.4314      2.00000
     21       1.9393      0.00000
     22       1.9500      0.00000
     23       2.8419      0.00000
     24       3.0478      0.00000
     25       3.3048      0.00000
     26       3.4648      0.00000
     27       3.5695      0.00000
     28       3.8609      0.00000

 k-point   191 :      -0.2609    0.3810    0.0000
  band No.  band energies     occupation 
      1     -24.4737      2.00000
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      8     -12.8058      2.00000
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     10     -12.2563      2.00000
     11     -11.0828      2.00000
     12      -9.8197      2.00000
     13      -9.3500      2.00000
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     15      -8.5482      2.00000
     16      -8.0992      2.00000
     17      -5.3927      2.00000
     18      -4.9618      2.00000
     19      -4.6551      2.00000
     20      -4.2892      2.00000
     21       1.7686      0.00000
     22       1.7776      0.00000
     23       2.8886      0.00000
     24       2.9238      0.00000
     25       3.1200      0.00000
     26       3.2717      0.00000
     27       3.3443      0.00000
     28       3.6965      0.00000

 k-point   192 :      -0.2174    0.3810    0.0000
  band No.  band energies     occupation 
      1     -24.6127      2.00000
      2     -23.4022      2.00000
      3     -21.1156      2.00000
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     10     -12.0696      2.00000
     11     -11.2257      2.00000
     12      -9.8884      2.00000
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     17      -5.3715      2.00000
     18      -4.8309      2.00000
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     20      -4.1576      2.00000
     21       1.6145      0.00000
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     23       2.8290      0.00000
     24       2.9347      0.00000
     25       2.9719      0.00000
     26       3.1378      0.00000
     27       3.1550      0.00000
     28       3.5463      0.00000

 k-point   193 :      -0.1739    0.3810    0.0000
  band No.  band energies     occupation 
      1     -24.7268      2.00000
      2     -23.5114      2.00000
      3     -20.7580      2.00000
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     10     -11.8265      2.00000
     11     -11.3542      2.00000
     12      -9.9593      2.00000
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     17      -5.3404      2.00000
     18      -4.7103      2.00000
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     20      -4.0403      2.00000
     21       1.4892      0.00000
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     23       2.7270      0.00000
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     25       2.9218      0.00000
     26       3.0095      0.00000
     27       3.0874      0.00000
     28       3.4311      0.00000

 k-point   194 :      -0.1304    0.3810    0.0000
  band No.  band energies     occupation 
      1     -24.8158      2.00000
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     10     -11.6052      2.00000
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     17      -5.3050      2.00000
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     20      -3.9418      2.00000
     21       1.3932      0.00000
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     23       2.6282      0.00000
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     25       2.8404      0.00000
     26       2.9173      0.00000
     27       3.0890      0.00000
     28       3.3687      0.00000

 k-point   195 :      -0.0870    0.3810    0.0000
  band No.  band energies     occupation 
      1     -24.8794      2.00000
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     10     -11.5728      2.00000
     11     -11.4257      2.00000
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     17      -5.2723      2.00000
     18      -4.5364      2.00000
     19      -4.2551      2.00000
     20      -3.8670      2.00000
     21       1.3257      0.00000
     22       1.3862      0.00000
     23       2.5518      0.00000
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     25       2.7572      0.00000
     26       2.8479      0.00000
     27       3.0834      0.00000
     28       3.3601      0.00000

 k-point   196 :      -0.0435    0.3810    0.0000
  band No.  band energies     occupation 
      1     -24.9177      2.00000
      2     -23.6945      2.00000
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     10     -11.6535      2.00000
     11     -11.3066      2.00000
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     13      -9.5659      2.00000
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     15      -8.5524      2.00000
     16      -7.7371      2.00000
     17      -5.2490      2.00000
     18      -4.4921      2.00000
     19      -4.2107      2.00000
     20      -3.8202      2.00000
     21       1.2859      0.00000
     22       1.3481      0.00000
     23       2.5046      0.00000
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     25       2.7031      0.00000
     26       2.7998      0.00000
     27       3.0674      0.00000
     28       3.3566      0.00000

 k-point   197 :       0.0000    0.4286    0.0000
  band No.  band energies     occupation 
      1     -24.7263      2.00000
      2     -23.9896      2.00000
      3     -19.7177      2.00000
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     10     -11.4567      2.00000
     11     -11.3668      2.00000
     12     -10.4027      2.00000
     13      -9.5271      2.00000
     14      -9.5157      2.00000
     15      -8.3585      2.00000
     16      -7.8427      2.00000
     17      -5.1428      2.00000
     18      -4.6595      2.00000
     19      -4.1745      2.00000
     20      -3.9255      2.00000
     21       1.4898      0.00000
     22       1.5699      0.00000
     23       2.4370      0.00000
     24       2.5765      0.00000
     25       2.8485      0.00000
     26       3.0367      0.00000
     27       3.2447      0.00000
     28       3.4560      0.00000

 k-point   198 :       0.0435    0.4286    0.0000
  band No.  band energies     occupation 
      1     -24.7136      2.00000
      2     -23.9772      2.00000
      3     -19.7911      2.00000
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      5     -17.0038      2.00000
      6     -16.9661      2.00000
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      8     -13.9190      2.00000
      9     -12.2931      2.00000
     10     -11.5073      2.00000
     11     -11.3348      2.00000
     12     -10.3809      2.00000
     13      -9.5101      2.00000
     14      -9.5063      2.00000
     15      -8.3554      2.00000
     16      -7.8432      2.00000
     17      -5.1534      2.00000
     18      -4.6745      2.00000
     19      -4.1895      2.00000
     20      -3.9416      2.00000
     21       1.5034      0.00000
     22       1.5831      0.00000
     23       2.4488      0.00000
     24       2.5912      0.00000
     25       2.8654      0.00000
     26       3.0534      0.00000
     27       3.2523      0.00000
     28       3.4541      0.00000

 k-point   199 :       0.0870    0.4286    0.0000
  band No.  band energies     occupation 
      1     -24.6756      2.00000
      2     -23.9401      2.00000
      3     -19.9903      2.00000
      4     -19.5967      2.00000
      5     -16.9340      2.00000
      6     -16.7962      2.00000
      7     -13.8223      2.00000
      8     -13.7589      2.00000
      9     -12.4637      2.00000
     10     -11.6462      2.00000
     11     -11.2565      2.00000
     12     -10.3245      2.00000
     13      -9.4823      2.00000
     14      -9.4627      2.00000
     15      -8.3476      2.00000
     16      -7.8485      2.00000
     17      -5.1839      2.00000
     18      -4.7185      2.00000
     19      -4.2335      2.00000
     20      -3.9887      2.00000
     21       1.5444      0.00000
     22       1.6222      0.00000
     23       2.4842      0.00000
     24       2.6324      0.00000
     25       2.9155      0.00000
     26       3.1033      0.00000
     27       3.2621      0.00000
     28       3.4465      0.00000

 k-point   200 :       0.1304    0.4286    0.0000
  band No.  band energies     occupation 
      1     -24.6123      2.00000
      2     -23.8783      2.00000
      3     -20.2725      2.00000
      4     -19.8249      2.00000
      5     -16.8317      2.00000
      6     -16.5634      2.00000
      7     -13.6386      2.00000
      8     -13.5086      2.00000
      9     -12.6989      2.00000
     10     -11.8479      2.00000
     11     -11.1575      2.00000
     12     -10.2495      2.00000
     13      -9.4437      2.00000
     14      -9.4023      2.00000
     15      -8.3403      2.00000
     16      -7.8687      2.00000
     17      -5.2291      2.00000
     18      -4.7891      2.00000
     19      -4.3031      2.00000
     20      -4.0635      2.00000
     21       1.6135      0.00000
     22       1.6862      0.00000
     23       2.5417      0.00000
     24       2.6909      0.00000
     25       2.9962      0.00000
     26       3.1854      0.00000
     27       3.2354      0.00000
     28       3.4736      0.00000

 k-point   201 :       0.1739    0.4286    0.0000
  band No.  band energies     occupation 
      1     -24.5238      2.00000
      2     -23.7920      2.00000
      3     -20.6007      2.00000
      4     -20.1024      2.00000
      5     -16.7066      2.00000
      6     -16.3041      2.00000
      7     -13.3869      2.00000
      8     -13.2024      2.00000
      9     -12.9547      2.00000
     10     -12.0889      2.00000
     11     -11.0483      2.00000
     12     -10.1665      2.00000
     13      -9.3956      2.00000
     14      -9.3450      2.00000
     15      -8.3415      2.00000
     16      -7.9159      2.00000
     17      -5.2823      2.00000
     18      -4.8823      2.00000
     19      -4.3946      2.00000
     20      -4.1618      2.00000
     21       1.7114      0.00000
     22       1.7733      0.00000
     23       2.6173      0.00000
     24       2.7484      0.00000
     25       3.0846      0.00000
     26       3.2071      0.00000
     27       3.2953      0.00000
     28       3.5438      0.00000

 k-point   202 :       0.2174    0.4286    0.0000
  band No.  band energies     occupation 
      1     -24.4104      2.00000
      2     -23.6814      2.00000
      3     -20.9507      2.00000
      4     -20.4088      2.00000
      5     -16.5635      2.00000
      6     -16.0389      2.00000
      7     -13.2952      2.00000
      8     -13.0841      2.00000
      9     -12.7794      2.00000
     10     -12.3435      2.00000
     11     -10.9309      2.00000
     12     -10.0809      2.00000
     13      -9.3421      2.00000
     14      -9.3047      2.00000
     15      -8.3604      2.00000
     16      -8.0007      2.00000
     17      -5.3363      2.00000
     18      -4.9916      2.00000
     19      -4.5055      2.00000
     20      -4.2787      2.00000
     21       1.8384      0.00000
     22       1.8816      0.00000
     23       2.7035      0.00000
     24       2.7777      0.00000
     25       3.1125      0.00000
     26       3.3102      0.00000
     27       3.4079      0.00000
     28       3.5445      0.00000

 k-point   203 :       0.2609    0.4286    0.0000
  band No.  band energies     occupation 
      1     -24.2722      2.00000
      2     -23.5469      2.00000
      3     -21.3071      2.00000
      4     -20.7293      2.00000
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 k-point   204 :       0.3043    0.4286    0.0000
  band No.  band energies     occupation 
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 k-point   205 :       0.3478    0.4286    0.0000
  band No.  band energies     occupation 
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     28       4.1481      0.00000

 k-point   206 :       0.3913    0.4286    0.0000
  band No.  band energies     occupation 
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     27       4.1844      0.00000
     28       4.4020      0.00000

 k-point   207 :       0.4348    0.4286    0.0000
  band No.  band energies     occupation 
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     27       4.1859      0.00000
     28       4.1938      0.00000

 k-point   208 :       0.4783    0.4286    0.0000
  band No.  band energies     occupation 
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     27       3.8871      0.00000
     28       4.0788      0.00000

 k-point   209 :      -0.4783    0.4286    0.0000
  band No.  band energies     occupation 
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 k-point   210 :      -0.4348    0.4286    0.0000
  band No.  band energies     occupation 
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 k-point   211 :      -0.3913    0.4286    0.0000
  band No.  band energies     occupation 
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 k-point   212 :      -0.3478    0.4286    0.0000
  band No.  band energies     occupation 
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 k-point   213 :      -0.3043    0.4286    0.0000
  band No.  band energies     occupation 
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 k-point   214 :      -0.2609    0.4286    0.0000
  band No.  band energies     occupation 
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 k-point   215 :      -0.2174    0.4286    0.0000
  band No.  band energies     occupation 
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 k-point   216 :      -0.1739    0.4286    0.0000
  band No.  band energies     occupation 
      1     -24.5239      2.00000
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 k-point   217 :      -0.1304    0.4286    0.0000
  band No.  band energies     occupation 
      1     -24.6123      2.00000
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 k-point   218 :      -0.0870    0.4286    0.0000
  band No.  band energies     occupation 
      1     -24.6756      2.00000
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     26       3.1033      0.00000
     27       3.2618      0.00000
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 k-point   219 :      -0.0435    0.4286    0.0000
  band No.  band energies     occupation 
      1     -24.7136      2.00000
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     21       1.5033      0.00000
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     25       2.8654      0.00000
     26       3.0534      0.00000
     27       3.2522      0.00000
     28       3.4541      0.00000

 k-point   220 :       0.0000    0.4762    0.0000
  band No.  band energies     occupation 
      1     -24.5008      2.00000
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     10     -11.6857      2.00000
     11     -11.0372      2.00000
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     15      -8.1655      2.00000
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     25       3.1881      0.00000
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     28       3.5502      0.00000

 k-point   221 :       0.0435    0.4762    0.0000
  band No.  band energies     occupation 
      1     -24.4882      2.00000
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     25       3.2047      0.00000
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 k-point   222 :       0.0870    0.4762    0.0000
  band No.  band energies     occupation 
      1     -24.4504      2.00000
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     10     -11.8969      2.00000
     11     -10.9326      2.00000
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     17      -5.0556      2.00000
     18      -4.8965      2.00000
     19      -4.1792      2.00000
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     26       3.4235      0.00000
     27       3.4274      0.00000
     28       3.5337      0.00000

 k-point   223 :       0.1304    0.4762    0.0000
  band No.  band energies     occupation 
      1     -24.3875      2.00000
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     25       3.3009      0.00000
     26       3.3895      0.00000
     27       3.4289      0.00000
     28       3.5475      0.00000

 k-point   224 :       0.1739    0.4762    0.0000
  band No.  band energies     occupation 
      1     -24.2996      2.00000
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     21       1.9259      0.00000
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     23       2.4426      0.00000
     24       2.5223      0.00000
     25       3.2385      0.00000
     26       3.3509      0.00000
     27       3.4810      0.00000
     28       3.6555      0.00000

 k-point   225 :       0.2174    0.4762    0.0000
  band No.  band energies     occupation 
      1     -24.1870      2.00000
      2     -23.9436      2.00000
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     11     -10.6272      2.00000
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     17      -5.2567      2.00000
     18      -5.1387      2.00000
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     21       2.0545      0.00000
     22       2.0946      0.00000
     23       2.5221      0.00000
     24       2.5778      0.00000
     25       3.1853      0.00000
     26       3.2932      0.00000
     27       3.6333      0.00000
     28       3.8077      0.00000

 k-point   226 :       0.2609    0.4762    0.0000
  band No.  band energies     occupation 
      1     -24.0498      2.00000
      2     -23.8076      2.00000
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     10     -12.4758      2.00000
     11     -10.5151      2.00000
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     13      -9.2682      2.00000
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     17      -5.3309      2.00000
     18      -5.2362      2.00000
     19      -4.5867      2.00000
     20      -4.5115      2.00000
     21       2.2108      0.00000
     22       2.2304      0.00000
     23       2.6106      0.00000
     24       2.6192      0.00000
     25       3.2043      0.00000
     26       3.3110      0.00000
     27       3.8224      0.00000
     28       3.9960      0.00000

 k-point   227 :       0.3043    0.4762    0.0000
  band No.  band energies     occupation 
      1     -23.8884      2.00000
      2     -23.6477      2.00000
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     10     -12.0457      2.00000
     11     -10.4021      2.00000
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     17      -5.3946      2.00000
     18      -5.3264      2.00000
     19      -4.7304      2.00000
     20      -4.6552      2.00000
     21       2.3823      0.00000
     22       2.3917      0.00000
     23       2.6714      0.00000
     24       2.7260      0.00000
     25       3.3020      0.00000
     26       3.4086      0.00000
     27       4.0443      0.00000
     28       4.2183      0.00000

 k-point   228 :       0.3478    0.4762    0.0000
  band No.  band energies     occupation 
      1     -23.7033      2.00000
      2     -23.4643      2.00000
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     10     -11.6032      2.00000
     11     -10.2950      2.00000
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     20      -4.8086      2.00000
     21       2.5576      0.00000
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     25       3.4514      0.00000
     26       3.5535      0.00000
     27       4.2897      0.00000
     28       4.4712      0.00000

 k-point   229 :       0.3913    0.4762    0.0000
  band No.  band energies     occupation 
      1     -23.4948      2.00000
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     10     -11.1716      2.00000
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     13      -9.2707      2.00000
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     25       3.6045      0.00000
     26       3.6953      0.00000
     27       4.4246      0.00000
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 k-point   230 :       0.4348    0.4762    0.0000
  band No.  band energies     occupation 
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     11     -10.1757      2.00000
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     21       3.0218      0.00000
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     25       3.6768      0.00000
     26       3.7523      0.00000
     27       4.1983      0.00000
     28       4.2053      0.00000

 k-point   231 :       0.4783    0.4762    0.0000
  band No.  band energies     occupation 
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     21       3.2945      0.00000
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     25       3.6633      0.00000
     26       3.6882      0.00000
     27       3.8499      0.00000
     28       3.9143      0.00000

 k-point   232 :      -0.4783    0.4762    0.0000
  band No.  band energies     occupation 
      1     -23.0109      2.00000
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     21       3.2949      0.00000
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     25       3.6633      0.00000
     26       3.6879      0.00000
     27       3.8501      0.00000
     28       3.9145      0.00000

 k-point   233 :      -0.4348    0.4762    0.0000
  band No.  band energies     occupation 
      1     -23.2638      2.00000
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     26       3.7521      0.00000
     27       4.1983      0.00000
     28       4.2055      0.00000

 k-point   234 :      -0.3913    0.4762    0.0000
  band No.  band energies     occupation 
      1     -23.4948      2.00000
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     27       4.4251      0.00000
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 k-point   235 :      -0.3478    0.4762    0.0000
  band No.  band energies     occupation 
      1     -23.7033      2.00000
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     25       3.4516      0.00000
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     27       4.2898      0.00000
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 k-point   236 :      -0.3043    0.4762    0.0000
  band No.  band energies     occupation 
      1     -23.8884      2.00000
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     11     -10.4008      2.00000
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     21       2.3827      0.00000
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     25       3.3021      0.00000
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     27       4.0443      0.00000
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 k-point   237 :      -0.2609    0.4762    0.0000
  band No.  band energies     occupation 
      1     -24.0498      2.00000
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     11     -10.5139      2.00000
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     13      -9.2679      2.00000
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     17      -5.3324      2.00000
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     19      -4.5877      2.00000
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     21       2.2104      0.00000
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     23       2.6108      0.00000
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     25       3.2042      0.00000
     26       3.3111      0.00000
     27       3.8224      0.00000
     28       3.9961      0.00000

 k-point   238 :      -0.2174    0.4762    0.0000
  band No.  band energies     occupation 
      1     -24.1870      2.00000
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      3     -20.7745      2.00000
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     10     -12.6191      2.00000
     11     -10.6260      2.00000
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     13      -9.3156      2.00000
     14      -9.2996      2.00000
     15      -8.2056      2.00000
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     17      -5.2580      2.00000
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     19      -4.4582      2.00000
     20      -4.3800      2.00000
     21       2.0542      0.00000
     22       2.0948      0.00000
     23       2.5224      0.00000
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     25       3.1852      0.00000
     26       3.2932      0.00000
     27       3.6333      0.00000
     28       3.8078      0.00000

 k-point   239 :      -0.1739    0.4762    0.0000
  band No.  band energies     occupation 
      1     -24.2996      2.00000
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      3     -20.4348      2.00000
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     10     -12.3683      2.00000
     11     -10.7343      2.00000
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     13      -9.3687      2.00000
     14      -9.3478      2.00000
     15      -8.1641      2.00000
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     17      -5.1821      2.00000
     18      -5.0432      2.00000
     19      -4.3452      2.00000
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     21       1.9256      0.00000
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     23       2.4429      0.00000
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     25       3.2384      0.00000
     26       3.3508      0.00000
     27       3.4810      0.00000
     28       3.6556      0.00000

 k-point   240 :      -0.1304    0.4762    0.0000
  band No.  band energies     occupation 
      1     -24.3875      2.00000
      2     -24.1424      2.00000
      3     -20.1182      2.00000
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     10     -12.1143      2.00000
     11     -10.8372      2.00000
     12     -10.5296      2.00000
     13      -9.4210      2.00000
     14      -9.4025      2.00000
     15      -8.1510      2.00000
     16      -7.9916      2.00000
     17      -5.1125      2.00000
     18      -4.9605      2.00000
     19      -4.2512      2.00000
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     21       1.8258      0.00000
     22       1.8829      0.00000
     23       2.3726      0.00000
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     25       3.3008      0.00000
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     27       3.4288      0.00000
     28       3.5477      0.00000

 k-point   241 :      -0.0870    0.4762    0.0000
  band No.  band energies     occupation 
      1     -24.4504      2.00000
      2     -24.2048      2.00000
      3     -19.8485      2.00000
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     10     -11.8966      2.00000
     11     -10.9317      2.00000
     12     -10.6164      2.00000
     13      -9.4662      2.00000
     14      -9.4540      2.00000
     15      -8.1542      2.00000
     16      -7.9847      2.00000
     17      -5.0562      2.00000
     18      -4.8960      2.00000
     19      -4.1796      2.00000
     20      -4.0952      2.00000
     21       1.7550      0.00000
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     23       2.3181      0.00000
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     25       3.2526      0.00000
     26       3.4234      0.00000
     27       3.4272      0.00000
     28       3.5339      0.00000

 k-point   242 :      -0.0435    0.4762    0.0000
  band No.  band energies     occupation 
      1     -24.4882      2.00000
      2     -24.2423      2.00000
      3     -19.6599      2.00000
      4     -19.5394      2.00000
      5     -16.9915      2.00000
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     27       3.4530      0.00000
     28       3.6104      0.00000

 k-point   243 :       0.0000    0.0000    0.3333
  band No.  band energies     occupation 
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     20      -3.1672      2.00000
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     23       1.3701      0.00000
     24       1.6014      0.00000
     25       1.9426      0.00000
     26       2.4037      0.00000
     27       2.4707      0.00000
     28       2.6970      0.00000

 k-point   244 :       0.0435    0.0000    0.3333
  band No.  band energies     occupation 
      1     -25.7035      2.00000
      2     -21.3720      2.00000
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     11     -11.0182      2.00000
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     14      -9.3373      2.00000
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     18      -4.0572      2.00000
     19      -3.7468      2.00000
     20      -3.1787      2.00000
     21       0.4925      0.00000
     22       0.5704      0.00000
     23       1.3876      0.00000
     24       1.6184      0.00000
     25       1.9589      0.00000
     26       2.4193      0.00000
     27       2.5103      0.00000
     28       2.7396      0.00000

 k-point   245 :       0.0870    0.0000    0.3333
  band No.  band energies     occupation 
      1     -25.6646      2.00000
      2     -21.3434      2.00000
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     10     -11.9695      2.00000
     11     -10.9862      2.00000
     12     -10.8380      2.00000
     13      -9.9552      2.00000
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     15      -8.5772      2.00000
     16      -7.7731      2.00000
     17      -5.0727      2.00000
     18      -4.0944      2.00000
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     20      -3.2131      2.00000
     21       0.5257      0.00000
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     23       1.4401      0.00000
     24       1.6697      0.00000
     25       2.0079      0.00000
     26       2.4662      0.00000
     27       2.6264      0.00000
     28       2.8401      0.00000

 k-point   246 :       0.1304    0.0000    0.3333
  band No.  band energies     occupation 
      1     -25.5997      2.00000
      2     -21.2963      2.00000
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     10     -11.6997      2.00000
     11     -10.9340      2.00000
     12     -10.6208      2.00000
     13     -10.0028      2.00000
     14      -9.5128      2.00000
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     16      -7.8595      2.00000
     17      -5.0363      2.00000
     18      -4.1619      2.00000
     19      -3.9193      2.00000
     20      -3.2693      2.00000
     21       0.5828      0.00000
     22       0.6877      0.00000
     23       1.5278      0.00000
     24       1.7553      0.00000
     25       2.0900      0.00000
     26       2.5449      0.00000
     27       2.8110      0.00000
     28       2.8960      0.00000

 k-point   247 :       0.1739    0.0000    0.3333
  band No.  band energies     occupation 
      1     -25.5091      2.00000
      2     -21.4069      2.00000
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     10     -11.3876      2.00000
     11     -10.8638      2.00000
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     14      -9.6473      2.00000
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     16      -7.9671      2.00000
     17      -4.9835      2.00000
     18      -4.2633      2.00000
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     20      -3.3458      2.00000
     21       0.6662      0.00000
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     23       1.6507      0.00000
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     25       2.2057      0.00000
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     27       2.9845      0.00000
     28       3.0511      0.00000

 k-point   248 :       0.2174    0.0000    0.3333
  band No.  band energies     occupation 
      1     -25.3929      2.00000
      2     -21.7848      2.00000
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     10     -11.0778      2.00000
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     27       3.0903      0.00000
     28       3.3287      0.00000

 k-point   249 :       0.2609    0.0000    0.3333
  band No.  band energies     occupation 
      1     -25.2512      2.00000
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     10     -10.8394      2.00000
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     27       3.2003      0.00000
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 k-point   250 :       0.3043    0.0000    0.3333
  band No.  band energies     occupation 
      1     -25.0843      2.00000
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     20      -3.6641      2.00000
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     26       3.1684      0.00000
     27       3.3030      0.00000
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 k-point   251 :       0.3478    0.0000    0.3333
  band No.  band energies     occupation 
      1     -24.8925      2.00000
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     26       3.2213      0.00000
     27       3.2789      0.00000
     28       3.4772      0.00000

 k-point   252 :       0.3913    0.0000    0.3333
  band No.  band energies     occupation 
      1     -24.6761      2.00000
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     26       3.1567      0.00000
     27       3.3796      0.00000
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 k-point   253 :       0.4348    0.0000    0.3333
  band No.  band energies     occupation 
      1     -24.4358      2.00000
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     21       1.7822      0.00000
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     26       3.1963      0.00000
     27       3.3472      0.00000
     28       3.4170      0.00000

 k-point   254 :       0.4783    0.0000    0.3333
  band No.  band energies     occupation 
      1     -24.1720      2.00000
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     21       2.0521      0.00000
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     25       3.1151      0.00000
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     27       3.5096      0.00000
     28       3.7072      0.00000

 k-point   255 :      -0.4783    0.0000    0.3333
  band No.  band energies     occupation 
      1     -24.1720      2.00000
      2     -23.8856      2.00000
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     13      -9.2003      2.00000
     14      -9.0442      2.00000
     15      -9.0218      2.00000
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     18      -5.0752      2.00000
     19      -4.2640      2.00000
     20      -4.1457      2.00000
     21       2.0521      0.00000
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     23       2.4548      0.00000
     24       2.8144      0.00000
     25       3.1151      0.00000
     26       3.2144      0.00000
     27       3.5096      0.00000
     28       3.7071      0.00000

 k-point   256 :      -0.4348    0.0000    0.3333
  band No.  band energies     occupation 
      1     -24.4358      2.00000
      2     -23.5776      2.00000
      3     -20.6122      2.00000
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     10     -11.3236      2.00000
     11     -10.9274      2.00000
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     13      -9.3490      2.00000
     14      -9.1862      2.00000
     15      -8.9944      2.00000
     16      -8.8367      2.00000
     17      -5.0851      2.00000
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     20      -4.0271      2.00000
     21       1.7822      0.00000
     22       2.1219      0.00000
     23       2.6157      0.00000
     24       3.0780      0.00000
     25       3.1668      0.00000
     26       3.1963      0.00000
     27       3.3470      0.00000
     28       3.4170      0.00000

 k-point   257 :      -0.3913    0.0000    0.3333
  band No.  band energies     occupation 
      1     -24.6761      2.00000
      2     -23.2494      2.00000
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     10     -11.0933      2.00000
     11     -10.8365      2.00000
     12     -10.6044      2.00000
     13      -9.4355      2.00000
     14      -9.3876      2.00000
     15      -9.0932      2.00000
     16      -8.6601      2.00000
     17      -5.0076      2.00000
     18      -4.8758      2.00000
     19      -4.5021      2.00000
     20      -3.9070      2.00000
     21       1.5280      0.00000
     22       1.8183      0.00000
     23       2.7929      0.00000
     24       2.9148      0.00000
     25       2.9951      0.00000
     26       3.1564      0.00000
     27       3.3798      0.00000
     28       3.5915      0.00000

 k-point   258 :      -0.3478    0.0000    0.3333
  band No.  band energies     occupation 
      1     -24.8925      2.00000
      2     -22.9027      2.00000
      3     -20.8373      2.00000
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     10     -10.8932      2.00000
     11     -10.6700      2.00000
     12     -10.5759      2.00000
     13      -9.6181      2.00000
     14      -9.4304      2.00000
     15      -9.2654      2.00000
     16      -8.4986      2.00000
     17      -4.8826      2.00000
     18      -4.7279      2.00000
     19      -4.6186      2.00000
     20      -3.7853      2.00000
     21       1.2968      0.00000
     22       1.5460      0.00000
     23       2.4953      0.00000
     24       2.7061      0.00000
     25       2.9928      0.00000
     26       3.2213      0.00000
     27       3.2792      0.00000
     28       3.4770      0.00000

 k-point   259 :      -0.3043    0.0000    0.3333
  band No.  band energies     occupation 
      1     -25.0843      2.00000
      2     -22.5402      2.00000
      3     -20.9503      2.00000
      4     -20.4027      2.00000
      5     -16.9477      2.00000
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     10     -10.7769      2.00000
     11     -10.6140      2.00000
     12     -10.4858      2.00000
     13      -9.8145      2.00000
     14      -9.4968      2.00000
     15      -9.3356      2.00000
     16      -8.3520      2.00000
     17      -4.7288      2.00000
     18      -4.7256      2.00000
     19      -4.5617      2.00000
     20      -3.6641      2.00000
     21       1.0935      0.00000
     22       1.3067      0.00000
     23       2.2313      0.00000
     24       2.4462      0.00000
     25       2.7548      0.00000
     26       3.1686      0.00000
     27       3.3028      0.00000
     28       3.4849      0.00000

 k-point   260 :      -0.2609    0.0000    0.3333
  band No.  band energies     occupation 
      1     -25.2512      2.00000
      2     -22.1656      2.00000
      3     -21.0562      2.00000
      4     -20.4433      2.00000
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      7     -15.0595      2.00000
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     10     -10.8394      2.00000
     11     -10.6913      2.00000
     12     -10.3181      2.00000
     13      -9.8724      2.00000
     14      -9.7691      2.00000
     15      -9.1845      2.00000
     16      -8.2162      2.00000
     17      -4.8282      2.00000
     18      -4.5573      2.00000
     19      -4.3876      2.00000
     20      -3.5474      2.00000
     21       0.9203      0.00000
     22       1.1012      0.00000
     23       2.0024      0.00000
     24       2.2209      0.00000
     25       2.5389      0.00000
     26       2.9747      0.00000
     27       3.2002      0.00000
     28       3.5742      0.00000

 k-point   261 :      -0.2174    0.0000    0.3333
  band No.  band energies     occupation 
      1     -25.3929      2.00000
      2     -21.7848      2.00000
      3     -21.1509      2.00000
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      8     -12.9759      2.00000
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     10     -11.0778      2.00000
     11     -10.7801      2.00000
     12     -10.1806      2.00000
     13     -10.0621      2.00000
     14      -9.7855      2.00000
     15      -9.0119      2.00000
     16      -8.0878      2.00000
     17      -4.9139      2.00000
     18      -4.3979      2.00000
     19      -4.2158      2.00000
     20      -3.4398      2.00000
     21       0.7782      0.00000
     22       0.9300      0.00000
     23       1.8088      0.00000
     24       2.0307      0.00000
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     26       2.7994      0.00000
     27       3.0902      0.00000
     28       3.3287      0.00000

 k-point   262 :      -0.1739    0.0000    0.3333
  band No.  band energies     occupation 
      1     -25.5091      2.00000
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     25       2.2057      0.00000
     26       2.6559      0.00000
     27       2.9845      0.00000
     28       3.0511      0.00000

 k-point   263 :      -0.1304    0.0000    0.3333
  band No.  band energies     occupation 
      1     -25.5997      2.00000
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     17      -5.0363      2.00000
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     21       0.5828      0.00000
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     23       1.5278      0.00000
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     25       2.0900      0.00000
     26       2.5449      0.00000
     27       2.8110      0.00000
     28       2.8958      0.00000

 k-point   264 :      -0.0870    0.0000    0.3333
  band No.  band energies     occupation 
      1     -25.6646      2.00000
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     18      -4.0944      2.00000
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     21       0.5257      0.00000
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     23       1.4401      0.00000
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     25       2.0079      0.00000
     26       2.4663      0.00000
     27       2.6264      0.00000
     28       2.8537      0.00000

 k-point   265 :      -0.0435    0.0000    0.3333
  band No.  band energies     occupation 
      1     -25.7035      2.00000
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     21       0.4925      0.00000
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     23       1.3876      0.00000
     24       1.6185      0.00000
     25       1.9589      0.00000
     26       2.4193      0.00000
     27       2.5103      0.00000
     28       2.7396      0.00000

 k-point   266 :       0.0000    0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.7040      2.00000
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     11     -11.0177      2.00000
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     14      -9.3017      2.00000
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     21       0.4923      0.00000
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     23       1.3881      0.00000
     24       1.6180      0.00000
     25       1.9587      0.00000
     26       2.4075      0.00000
     27       2.4944      0.00000
     28       2.6362      0.00000

 k-point   267 :       0.0435    0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.6910      2.00000
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     10     -12.2140      2.00000
     11     -11.0078      2.00000
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     26       2.4241      0.00000
     27       2.5314      0.00000
     28       2.6710      0.00000

 k-point   268 :       0.0870    0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.6521      2.00000
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     25       2.0240      0.00000
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     27       2.6411      0.00000
     28       2.7630      0.00000

 k-point   269 :       0.1304    0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.5873      2.00000
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     25       2.1060      0.00000
     26       2.5514      0.00000
     27       2.8153      0.00000
     28       2.8772      0.00000

 k-point   270 :       0.1739    0.0476    0.3333
  band No.  band energies     occupation 
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     21       0.6776      0.00000
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     23       1.6687      0.00000
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     25       2.2217      0.00000
     26       2.6622      0.00000
     27       2.9823      0.00000
     28       3.0476      0.00000

 k-point   271 :       0.2174    0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.3805      2.00000
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     27       3.0961      0.00000
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 k-point   272 :       0.2609    0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.2388      2.00000
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     27       3.2014      0.00000
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 k-point   273 :       0.3043    0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.0720      2.00000
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     21       1.1058      0.00000
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     26       3.1666      0.00000
     27       3.2818      0.00000
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 k-point   274 :       0.3478    0.0476    0.3333
  band No.  band energies     occupation 
      1     -24.8802      2.00000
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     21       1.3094      0.00000
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     27       3.3588      0.00000
     28       3.4831      0.00000

 k-point   275 :       0.3913    0.0476    0.3333
  band No.  band energies     occupation 
      1     -24.6639      2.00000
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     10     -11.0765      2.00000
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     25       3.0138      0.00000
     26       3.1890      0.00000
     27       3.3953      0.00000
     28       3.5854      0.00000

 k-point   276 :       0.4348    0.0476    0.3333
  band No.  band energies     occupation 
      1     -24.4236      2.00000
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     10     -11.3033      2.00000
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     17      -5.0854      2.00000
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     21       1.7948      0.00000
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     26       3.1946      0.00000
     27       3.3607      0.00000
     28       3.4340      0.00000

 k-point   277 :       0.4783    0.0476    0.3333
  band No.  band energies     occupation 
      1     -24.1600      2.00000
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     17      -5.1083      2.00000
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     21       2.0642      0.00000
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     25       3.1254      0.00000
     26       3.2277      0.00000
     27       3.5275      0.00000
     28       3.7211      0.00000

 k-point   278 :      -0.4783    0.0476    0.3333
  band No.  band energies     occupation 
      1     -24.1600      2.00000
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     13      -9.1917      2.00000
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     15      -9.0156      2.00000
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     17      -5.1085      2.00000
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     19      -4.2859      2.00000
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     21       2.0642      0.00000
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     23       2.4572      0.00000
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     25       3.1256      0.00000
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     27       3.5276      0.00000
     28       3.7210      0.00000

 k-point   279 :      -0.4348    0.0476    0.3333
  band No.  band energies     occupation 
      1     -24.4236      2.00000
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      3     -20.6897      2.00000
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     10     -11.3034      2.00000
     11     -10.9862      2.00000
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     13      -9.3390      2.00000
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     17      -5.0855      2.00000
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     21       1.7948      0.00000
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     27       3.3605      0.00000
     28       3.4338      0.00000

 k-point   280 :      -0.3913    0.0476    0.3333
  band No.  band energies     occupation 
      1     -24.6639      2.00000
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     10     -11.0766      2.00000
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     17      -5.0079      2.00000
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     20      -3.9252      2.00000
     21       1.5406      0.00000
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     23       2.8096      0.00000
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     25       3.0139      0.00000
     26       3.1890      0.00000
     27       3.3957      0.00000
     28       3.5855      0.00000

 k-point   281 :      -0.3478    0.0476    0.3333
  band No.  band energies     occupation 
      1     -24.8802      2.00000
      2     -22.8912      2.00000
      3     -20.9422      2.00000
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     10     -10.8836      2.00000
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     27       3.3597      0.00000
     28       3.4830      0.00000

 k-point   282 :      -0.3043    0.0476    0.3333
  band No.  band energies     occupation 
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     25       2.7698      0.00000
     26       3.1666      0.00000
     27       3.2811      0.00000
     28       3.5314      0.00000

 k-point   283 :      -0.2609    0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.2388      2.00000
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     25       2.5546      0.00000
     26       2.9795      0.00000
     27       3.2010      0.00000
     28       3.5300      0.00000

 k-point   284 :      -0.2174    0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.3805      2.00000
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     25       2.3712      0.00000
     26       2.8052      0.00000
     27       3.0958      0.00000
     28       3.2985      0.00000

 k-point   285 :      -0.1739    0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.4967      2.00000
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     17      -4.9995      2.00000
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     21       0.6775      0.00000
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     25       2.2216      0.00000
     26       2.6622      0.00000
     27       2.9823      0.00000
     28       3.0478      0.00000

 k-point   286 :      -0.1304    0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.5873      2.00000
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     25       2.1060      0.00000
     26       2.5515      0.00000
     27       2.8153      0.00000
     28       2.8775      0.00000

 k-point   287 :      -0.0870    0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.6521      2.00000
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     27       2.6412      0.00000
     28       2.7634      0.00000

 k-point   288 :      -0.0435    0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.6910      2.00000
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 k-point   289 :       0.0000    0.0952    0.3333
  band No.  band energies     occupation 
      1     -25.6666      2.00000
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     27       2.5585      0.00000
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 k-point   290 :       0.0435    0.0952    0.3333
  band No.  band energies     occupation 
      1     -25.6536      2.00000
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     25       2.0230      0.00000
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     27       2.5907      0.00000
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 k-point   291 :       0.0870    0.0952    0.3333
  band No.  band energies     occupation 
      1     -25.6147      2.00000
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     21       0.5695      0.00000
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     25       2.0719      0.00000
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     27       2.6856      0.00000
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 k-point   292 :       0.1304    0.0952    0.3333
  band No.  band energies     occupation 
      1     -25.5500      2.00000
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     25       2.1538      0.00000
     26       2.5683      0.00000
     27       2.8321      0.00000
     28       2.8638      0.00000

 k-point   293 :       0.1739    0.0952    0.3333
  band No.  band energies     occupation 
      1     -25.4595      2.00000
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     25       2.2691      0.00000
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     27       2.9847      0.00000
     28       3.0466      0.00000

 k-point   294 :       0.2174    0.0952    0.3333
  band No.  band energies     occupation 
      1     -25.3433      2.00000
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     25       2.4183      0.00000
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     27       3.1109      0.00000
     28       3.2600      0.00000

 k-point   295 :       0.2609    0.0952    0.3333
  band No.  band energies     occupation 
      1     -25.2018      2.00000
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     10     -10.9739      2.00000
     11     -10.9091      2.00000
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     27       3.2012      0.00000
     28       3.4741      0.00000

 k-point   296 :       0.3043    0.0952    0.3333
  band No.  band energies     occupation 
      1     -25.0351      2.00000
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     10     -10.9809      2.00000
     11     -10.8143      2.00000
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     13      -9.9044      2.00000
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     15      -9.3085      2.00000
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     17      -4.8072      2.00000
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     19      -4.5789      2.00000
     20      -3.7287      2.00000
     21       1.1431      0.00000
     22       1.3336      0.00000
     23       2.3033      0.00000
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     25       2.8143      0.00000
     26       3.1546      0.00000
     27       3.2499      0.00000
     28       3.6266      0.00000

 k-point   297 :       0.3478    0.0952    0.3333
  band No.  band energies     occupation 
      1     -24.8435      2.00000
      2     -22.8567      2.00000
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     10     -11.0789      2.00000
     11     -10.8584      2.00000
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     13      -9.7453      2.00000
     14      -9.3960      2.00000
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     17      -4.8854      2.00000
     18      -4.7428      2.00000
     19      -4.7016      2.00000
     20      -3.8536      2.00000
     21       1.3474      0.00000
     22       1.5692      0.00000
     23       2.5670      0.00000
     24       2.7665      0.00000
     25       3.0051      0.00000
     26       3.1312      0.00000
     27       3.4355      0.00000
     28       3.5311      0.00000

 k-point   298 :       0.3913    0.0952    0.3333
  band No.  band energies     occupation 
      1     -24.6274      2.00000
      2     -23.2027      2.00000
      3     -21.0249      2.00000
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     10     -11.1329      2.00000
     11     -11.0278      2.00000
     12     -10.3165      2.00000
     13      -9.5067      2.00000
     14      -9.3978      2.00000
     15      -9.0004      2.00000
     16      -8.6515      2.00000
     17      -5.0096      2.00000
     18      -4.8882      2.00000
     19      -4.5880      2.00000
     20      -3.9794      2.00000
     21       1.5791      0.00000
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     23       2.8429      0.00000
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     25       3.0615      0.00000
     26       3.2654      0.00000
     27       3.4392      0.00000
     28       3.5667      0.00000

 k-point   299 :       0.4348    0.0952    0.3333
  band No.  band energies     occupation 
      1     -24.3873      2.00000
      2     -23.5304      2.00000
      3     -20.8732      2.00000
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     10     -11.2438      2.00000
     11     -11.0722      2.00000
     12     -10.4895      2.00000
     13      -9.3109      2.00000
     14      -9.2757      2.00000
     15      -8.9494      2.00000
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     17      -5.0878      2.00000
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     19      -4.4696      2.00000
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     21       1.8330      0.00000
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     24       3.1412      0.00000
     25       3.1886      0.00000
     26       3.2298      0.00000
     27       3.4006      0.00000
     28       3.4840      0.00000

 k-point   300 :       0.4783    0.0952    0.3333
  band No.  band energies     occupation 
      1     -24.1239      2.00000
      2     -23.8379      2.00000
      3     -20.7220      2.00000
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     10     -11.4745      2.00000
     11     -10.9098      2.00000
     12     -10.7005      2.00000
     13      -9.1677      2.00000
     14      -9.0938      2.00000
     15      -8.9979      2.00000
     16      -8.9807      2.00000
     17      -5.1122      2.00000
     18      -5.0824      2.00000
     19      -4.3488      2.00000
     20      -4.2273      2.00000
     21       2.1010      0.00000
     22       2.3716      0.00000
     23       2.4641      0.00000
     24       2.8167      0.00000
     25       3.1561      0.00000
     26       3.2670      0.00000
     27       3.5810      0.00000
     28       3.7608      0.00000

 k-point   301 :      -0.4783    0.0952    0.3333
  band No.  band energies     occupation 
      1     -24.1239      2.00000
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     17      -5.1124      2.00000
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     23       2.4640      0.00000
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     25       3.1565      0.00000
     26       3.2667      0.00000
     27       3.5811      0.00000
     28       3.7607      0.00000

 k-point   302 :      -0.4348    0.0952    0.3333
  band No.  band energies     occupation 
      1     -24.3873      2.00000
      2     -23.5304      2.00000
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     13      -9.3106      2.00000
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     17      -5.0880      2.00000
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     19      -4.4702      2.00000
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     21       1.8328      0.00000
     22       2.1365      0.00000
     23       2.6297      0.00000
     24       3.1414      0.00000
     25       3.1888      0.00000
     26       3.2301      0.00000
     27       3.4005      0.00000
     28       3.4836      0.00000

 k-point   303 :      -0.3913    0.0952    0.3333
  band No.  band energies     occupation 
      1     -24.6274      2.00000
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     17      -5.0098      2.00000
     18      -4.8879      2.00000
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     20      -3.9789      2.00000
     21       1.5789      0.00000
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     23       2.8426      0.00000
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     25       3.0615      0.00000
     26       3.2653      0.00000
     27       3.4399      0.00000
     28       3.5669      0.00000

 k-point   304 :      -0.3478    0.0952    0.3333
  band No.  band energies     occupation 
      1     -24.8435      2.00000
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     17      -4.8856      2.00000
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     21       1.3473      0.00000
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     23       2.5670      0.00000
     24       2.7665      0.00000
     25       3.0045      0.00000
     26       3.1310      0.00000
     27       3.4359      0.00000
     28       3.5312      0.00000

 k-point   305 :      -0.3043    0.0952    0.3333
  band No.  band energies     occupation 
      1     -25.0351      2.00000
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     10     -10.9813      2.00000
     11     -10.8143      2.00000
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     21       1.1430      0.00000
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     23       2.3033      0.00000
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     25       2.8141      0.00000
     26       3.1544      0.00000
     27       3.2494      0.00000
     28       3.6268      0.00000

 k-point   306 :      -0.2609    0.0952    0.3333
  band No.  band energies     occupation 
      1     -25.2018      2.00000
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     10     -10.9735      2.00000
     11     -10.9096      2.00000
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     17      -4.9018      2.00000
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     21       0.9686      0.00000
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     25       2.6009      0.00000
     26       2.9897      0.00000
     27       3.2005      0.00000
     28       3.4742      0.00000

 k-point   307 :      -0.2174    0.0952    0.3333
  band No.  band energies     occupation 
      1     -25.3433      2.00000
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     10     -11.2655      2.00000
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     25       2.4182      0.00000
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     27       3.1105      0.00000
     28       3.2602      0.00000

 k-point   308 :      -0.1739    0.0952    0.3333
  band No.  band energies     occupation 
      1     -25.4595      2.00000
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     25       2.2690      0.00000
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     27       2.9846      0.00000
     28       3.0470      0.00000

 k-point   309 :      -0.1304    0.0952    0.3333
  band No.  band energies     occupation 
      1     -25.5500      2.00000
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     21       0.6274      0.00000
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     25       2.1537      0.00000
     26       2.5683      0.00000
     27       2.8320      0.00000
     28       2.8644      0.00000

 k-point   310 :      -0.0870    0.0952    0.3333
  band No.  band energies     occupation 
      1     -25.6147      2.00000
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     25       2.0718      0.00000
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     27       2.6856      0.00000
     28       2.7229      0.00000

 k-point   311 :      -0.0435    0.0952    0.3333
  band No.  band energies     occupation 
      1     -25.6536      2.00000
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     25       2.0230      0.00000
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     27       2.5906      0.00000
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 k-point   312 :       0.0000    0.1429    0.3333
  band No.  band energies     occupation 
      1     -25.6043      2.00000
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     25       2.0862      0.00000
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     27       2.5843      0.00000
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 k-point   313 :       0.0435    0.1429    0.3333
  band No.  band energies     occupation 
      1     -25.5914      2.00000
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     25       2.1024      0.00000
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     27       2.6192      0.00000
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 k-point   314 :       0.0870    0.1429    0.3333
  band No.  band energies     occupation 
      1     -25.5525      2.00000
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     13      -9.8965      2.00000
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     25       2.1510      0.00000
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     27       2.7171      0.00000
     28       2.7667      0.00000

 k-point   315 :       0.1304    0.1429    0.3333
  band No.  band energies     occupation 
      1     -25.4879      2.00000
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     11     -10.9507      2.00000
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     21       0.6851      0.00000
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     25       2.2324      0.00000
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     27       2.8564      0.00000
     28       2.8984      0.00000

 k-point   316 :       0.1739    0.1429    0.3333
  band No.  band energies     occupation 
      1     -25.3975      2.00000
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     10     -11.7670      2.00000
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     14      -9.5017      2.00000
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     18      -4.2966      2.00000
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     21       0.7710      0.00000
     22       0.8746      0.00000
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     27       3.0055      0.00000
     28       3.0681      0.00000

 k-point   317 :       0.2174    0.1429    0.3333
  band No.  band energies     occupation 
      1     -25.2815      2.00000
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     10     -11.4328      2.00000
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     13      -9.7855      2.00000
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     17      -5.0554      2.00000
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     20      -3.5662      2.00000
     21       0.8858      0.00000
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     23       1.9710      0.00000
     24       2.1739      0.00000
     25       2.4951      0.00000
     26       2.8341      0.00000
     27       3.1316      0.00000
     28       3.2570      0.00000

 k-point   318 :       0.2609    0.1429    0.3333
  band No.  band energies     occupation 
      1     -25.1402      2.00000
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     10     -11.1107      2.00000
     11     -11.0925      2.00000
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     13      -9.8561      2.00000
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     15      -9.1729      2.00000
     16      -8.1792      2.00000
     17      -4.9836      2.00000
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     19      -4.4386      2.00000
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     21       1.0309      0.00000
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     23       2.1645      0.00000
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     25       2.6761      0.00000
     26       3.0002      0.00000
     27       3.1939      0.00000
     28       3.4585      0.00000

 k-point   319 :       0.3043    0.1429    0.3333
  band No.  band energies     occupation 
      1     -24.9737      2.00000
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     10     -11.2092      2.00000
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     16      -8.3306      2.00000
     17      -4.8967      2.00000
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     21       1.2066      0.00000
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     23       2.3932      0.00000
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     25       2.8842      0.00000
     26       3.1265      0.00000
     27       3.2324      0.00000
     28       3.6689      0.00000

 k-point   320 :       0.3478    0.1429    0.3333
  band No.  band energies     occupation 
      1     -24.7824      2.00000
      2     -22.7993      2.00000
      3     -21.4481      2.00000
      4     -20.2818      2.00000
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     10     -11.3080      2.00000
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     26       3.1714      0.00000
     27       3.4460      0.00000
     28       3.6536      0.00000

 k-point   321 :       0.3913    0.1429    0.3333
  band No.  band energies     occupation 
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     25       3.1339      0.00000
     26       3.3619      0.00000
     27       3.4972      0.00000
     28       3.5429      0.00000

 k-point   322 :       0.4348    0.1429    0.3333
  band No.  band energies     occupation 
      1     -24.3269      2.00000
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     21       1.8975      0.00000
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     24       3.1788      0.00000
     25       3.2104      0.00000
     26       3.3095      0.00000
     27       3.4652      0.00000
     28       3.5644      0.00000

 k-point   323 :       0.4783    0.1429    0.3333
  band No.  band energies     occupation 
      1     -24.0640      2.00000
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     17      -5.1228      2.00000
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     25       3.2064      0.00000
     26       3.3318      0.00000
     27       3.6693      0.00000
     28       3.8203      0.00000

 k-point   324 :      -0.4783    0.1429    0.3333
  band No.  band energies     occupation 
      1     -24.0640      2.00000
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     17      -5.1230      2.00000
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     21       2.1634      0.00000
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     24       2.8196      0.00000
     25       3.2068      0.00000
     26       3.3314      0.00000
     27       3.6693      0.00000
     28       3.8200      0.00000

 k-point   325 :      -0.4348    0.1429    0.3333
  band No.  band energies     occupation 
      1     -24.3269      2.00000
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     17      -5.0957      2.00000
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     21       1.8973      0.00000
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     24       3.1790      0.00000
     25       3.2108      0.00000
     26       3.3097      0.00000
     27       3.4650      0.00000
     28       3.5638      0.00000

 k-point   326 :      -0.3913    0.1429    0.3333
  band No.  band energies     occupation 
      1     -24.5666      2.00000
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     27       3.4982      0.00000
     28       3.5429      0.00000

 k-point   327 :      -0.3478    0.1429    0.3333
  band No.  band energies     occupation 
      1     -24.7824      2.00000
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     26       3.1713      0.00000
     27       3.4460      0.00000
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 k-point   328 :      -0.3043    0.1429    0.3333
  band No.  band energies     occupation 
      1     -24.9737      2.00000
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     21       1.2064      0.00000
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     25       2.8838      0.00000
     26       3.1263      0.00000
     27       3.2320      0.00000
     28       3.6688      0.00000

 k-point   329 :      -0.2609    0.1429    0.3333
  band No.  band energies     occupation 
      1     -25.1402      2.00000
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     26       3.0001      0.00000
     27       3.1932      0.00000
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 k-point   330 :      -0.2174    0.1429    0.3333
  band No.  band energies     occupation 
      1     -25.2815      2.00000
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     27       3.1312      0.00000
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 k-point   331 :      -0.1739    0.1429    0.3333
  band No.  band energies     occupation 
      1     -25.3975      2.00000
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     27       3.0053      0.00000
     28       3.0686      0.00000

 k-point   332 :      -0.1304    0.1429    0.3333
  band No.  band energies     occupation 
      1     -25.4879      2.00000
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     21       0.6850      0.00000
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     25       2.2323      0.00000
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     27       2.8564      0.00000
     28       2.8990      0.00000

 k-point   333 :      -0.0870    0.1429    0.3333
  band No.  band energies     occupation 
      1     -25.5525      2.00000
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     21       0.6260      0.00000
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     25       2.1509      0.00000
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     27       2.7172      0.00000
     28       2.7671      0.00000

 k-point   334 :      -0.0435    0.1429    0.3333
  band No.  band energies     occupation 
      1     -25.5914      2.00000
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     11     -10.9593      2.00000
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     13      -9.8718      2.00000
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     21       0.5917      0.00000
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     23       1.5497      0.00000
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     25       2.1023      0.00000
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     27       2.6193      0.00000
     28       2.6849      0.00000

 k-point   335 :       0.0000    0.1905    0.3333
  band No.  band energies     occupation 
      1     -25.5175      2.00000
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     10     -12.5617      2.00000
     11     -10.9477      2.00000
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     13      -9.8446      2.00000
     14      -9.1238      2.00000
     15      -8.8993      2.00000
     16      -7.6280      2.00000
     17      -5.2458      2.00000
     18      -4.1218      2.00000
     19      -3.8764      2.00000
     20      -3.3470      2.00000
     21       0.6616      0.00000
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     23       1.6584      0.00000
     24       1.8644      0.00000
     25       2.1958      0.00000
     26       2.5071      0.00000
     27       2.6180      0.00000
     28       2.7853      0.00000

 k-point   336 :       0.0435    0.1905    0.3333
  band No.  band energies     occupation 
      1     -25.5045      2.00000
      2     -22.4318      2.00000
      3     -20.3524      2.00000
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     10     -12.5167      2.00000
     11     -10.9513      2.00000
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     13      -9.8523      2.00000
     14      -9.1425      2.00000
     15      -8.9114      2.00000
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     17      -5.2433      2.00000
     18      -4.1327      2.00000
     19      -3.8977      2.00000
     20      -3.3606      2.00000
     21       0.6731      0.00000
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     23       1.6760      0.00000
     24       1.8811      0.00000
     25       2.2118      0.00000
     26       2.5212      0.00000
     27       2.6523      0.00000
     28       2.8078      0.00000

 k-point   337 :       0.0870    0.1905    0.3333
  band No.  band energies     occupation 
      1     -25.4658      2.00000
      2     -22.3979      2.00000
      3     -20.5739      2.00000
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     10     -12.3880      2.00000
     11     -10.9653      2.00000
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     13      -9.8731      2.00000
     14      -9.1972      2.00000
     15      -8.9445      2.00000
     16      -7.6873      2.00000
     17      -5.2350      2.00000
     18      -4.1673      2.00000
     19      -3.9596      2.00000
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     21       0.7084      0.00000
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     25       2.2599      0.00000
     26       2.5635      0.00000
     27       2.7495      0.00000
     28       2.8736      0.00000

 k-point   338 :       0.1304    0.1905    0.3333
  band No.  band energies     occupation 
      1     -25.4012      2.00000
      2     -22.3417      2.00000
      3     -20.8830      2.00000
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     10     -12.1847      2.00000
     11     -10.9977      2.00000
     12      -9.9548      2.00000
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     14      -9.2819      2.00000
     15      -8.9912      2.00000
     16      -7.7634      2.00000
     17      -5.2179      2.00000
     18      -4.2293      2.00000
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     21       0.7689      0.00000
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     25       2.3403      0.00000
     26       2.6343      0.00000
     27       2.8907      0.00000
     28       2.9782      0.00000

 k-point   339 :       0.1739    0.1905    0.3333
  band No.  band energies     occupation 
      1     -25.3110      2.00000
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      3     -21.2377      2.00000
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     10     -11.9133      2.00000
     11     -11.0603      2.00000
     12      -9.9227      2.00000
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     14      -9.3751      2.00000
     15      -9.0454      2.00000
     16      -7.8702      2.00000
     17      -5.1885      2.00000
     18      -4.3224      2.00000
     19      -4.1840      2.00000
     20      -3.5532      2.00000
     21       0.8566      0.00000
     22       0.9410      0.00000
     23       1.9390      0.00000
     24       2.1319      0.00000
     25       2.4532      0.00000
     26       2.7344      0.00000
     27       3.0403      0.00000
     28       3.1170      0.00000

 k-point   340 :       0.2174    0.1905    0.3333
  band No.  band energies     occupation 
      1     -25.1953      2.00000
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     17      -5.1440      2.00000
     18      -4.4464      2.00000
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     20      -3.6591      2.00000
     21       0.9734      0.00000
     22       1.0677      0.00000
     23       2.0971      0.00000
     24       2.2828      0.00000
     25       2.5987      0.00000
     26       2.8654      0.00000
     27       3.1501      0.00000
     28       3.2822      0.00000

 k-point   341 :       0.2609    0.1905    0.3333
  band No.  band energies     occupation 
      1     -25.0542      2.00000
      2     -22.0436      2.00000
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     10     -11.3001      2.00000
     11     -11.2586      2.00000
     12      -9.9092      2.00000
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     14      -9.2066      2.00000
     15      -9.1765      2.00000
     16      -8.1563      2.00000
     17      -5.0834      2.00000
     18      -4.5943      2.00000
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     20      -3.7790      2.00000
     21       1.1205      0.00000
     22       1.2260      0.00000
     23       2.2903      0.00000
     24       2.4678      0.00000
     25       2.7759      0.00000
     26       3.0257      0.00000
     27       3.1750      0.00000
     28       3.4706      0.00000

 k-point   342 :       0.3043    0.1905    0.3333
  band No.  band energies     occupation 
      1     -24.8880      2.00000
      2     -22.3598      2.00000
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     10     -11.4475      2.00000
     11     -10.9678      2.00000
     12      -9.8837      2.00000
     13      -9.8692      2.00000
     14      -9.2549      2.00000
     15      -9.0423      2.00000
     16      -8.3178      2.00000
     17      -5.0070      2.00000
     18      -4.7524      2.00000
     19      -4.6554      2.00000
     20      -3.9079      2.00000
     21       1.2978      0.00000
     22       1.4171      0.00000
     23       2.5186      0.00000
     24       2.6868      0.00000
     25       2.9670      0.00000
     26       3.0948      0.00000
     27       3.2491      0.00000
     28       3.6704      0.00000

 k-point   343 :       0.3478    0.1905    0.3333
  band No.  band energies     occupation 
      1     -24.6971      2.00000
      2     -22.7194      2.00000
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     10     -11.5241      2.00000
     11     -10.8188      2.00000
     12      -9.8946      2.00000
     13      -9.8533      2.00000
     14      -9.3148      2.00000
     15      -8.9262      2.00000
     16      -8.4797      2.00000
     17      -4.9165      2.00000
     18      -4.9032      2.00000
     19      -4.8117      2.00000
     20      -4.0419      2.00000
     21       1.5042      0.00000
     22       1.6413      0.00000
     23       2.7798      0.00000
     24       2.9166      0.00000
     25       2.9631      0.00000
     26       3.2529      0.00000
     27       3.4715      0.00000
     28       3.7637      0.00000

 k-point   344 :       0.3913    0.1905    0.3333
  band No.  band energies     occupation 
      1     -24.4818      2.00000
      2     -23.0636      2.00000
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     10     -11.4105      2.00000
     11     -10.8649      2.00000
     12     -10.0063      2.00000
     13      -9.6770      2.00000
     14      -9.3044      2.00000
     15      -8.8782      2.00000
     16      -8.6377      2.00000
     17      -5.0282      2.00000
     18      -4.9490      2.00000
     19      -4.8133      2.00000
     20      -4.1777      2.00000
     21       1.7366      0.00000
     22       1.8975      0.00000
     23       2.8205      0.00000
     24       3.0832      0.00000
     25       3.2270      0.00000
     26       3.4627      0.00000
     27       3.5050      0.00000
     28       3.5917      0.00000

 k-point   345 :       0.4348    0.1905    0.3333
  band No.  band energies     occupation 
      1     -24.2427      2.00000
      2     -23.3896      2.00000
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      8     -12.5530      2.00000
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     10     -11.1484      2.00000
     11     -11.0243      2.00000
     12     -10.2265      2.00000
     13      -9.4319      2.00000
     14      -9.2184      2.00000
     15      -8.9083      2.00000
     16      -8.7925      2.00000
     17      -5.1117      2.00000
     18      -5.0566      2.00000
     19      -4.6992      2.00000
     20      -4.3134      2.00000
     21       1.9894      0.00000
     22       2.1834      0.00000
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     24       3.1709      0.00000
     25       3.2939      0.00000
     26       3.4248      0.00000
     27       3.5511      0.00000
     28       3.6712      0.00000

 k-point   346 :       0.4783    0.1905    0.3333
  band No.  band energies     occupation 
      1     -23.9804      2.00000
      2     -23.6957      2.00000
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     10     -11.2259      2.00000
     11     -10.8331      2.00000
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     13      -9.1995      2.00000
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     17      -5.1444      2.00000
     18      -5.1243      2.00000
     19      -4.5761      2.00000
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     21       2.2533      0.00000
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     25       3.2749      0.00000
     26       3.4199      0.00000
     27       3.7888      0.00000
     28       3.8935      0.00000

 k-point   347 :      -0.4783    0.1905    0.3333
  band No.  band energies     occupation 
      1     -23.9804      2.00000
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     10     -11.2262      2.00000
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     13      -9.1982      2.00000
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     17      -5.1446      2.00000
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     23       2.5068      0.00000
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     25       3.2754      0.00000
     26       3.4196      0.00000
     27       3.7888      0.00000
     28       3.8930      0.00000

 k-point   348 :      -0.4348    0.1905    0.3333
  band No.  band energies     occupation 
      1     -24.2427      2.00000
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     10     -11.1482      2.00000
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     17      -5.1118      2.00000
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     21       1.9892      0.00000
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     24       3.1712      0.00000
     25       3.2944      0.00000
     26       3.4249      0.00000
     27       3.5508      0.00000
     28       3.6706      0.00000

 k-point   349 :      -0.3913    0.1905    0.3333
  band No.  band energies     occupation 
      1     -24.4818      2.00000
      2     -23.0636      2.00000
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     17      -5.0284      2.00000
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     21       1.7363      0.00000
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     25       3.2270      0.00000
     26       3.4621      0.00000
     27       3.5059      0.00000
     28       3.5920      0.00000

 k-point   350 :      -0.3478    0.1905    0.3333
  band No.  band energies     occupation 
      1     -24.6971      2.00000
      2     -22.7194      2.00000
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     17      -4.9176      2.00000
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     21       1.5040      0.00000
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     23       2.7797      0.00000
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     25       2.9627      0.00000
     26       3.2528      0.00000
     27       3.4714      0.00000
     28       3.7591      0.00000

 k-point   351 :      -0.3043    0.1905    0.3333
  band No.  band energies     occupation 
      1     -24.8880      2.00000
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     11     -10.9673      2.00000
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     20      -3.9071      2.00000
     21       1.2976      0.00000
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     23       2.5186      0.00000
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     25       2.9665      0.00000
     26       3.0949      0.00000
     27       3.2488      0.00000
     28       3.6707      0.00000

 k-point   352 :      -0.2609    0.1905    0.3333
  band No.  band energies     occupation 
      1     -25.0542      2.00000
      2     -22.0436      2.00000
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     10     -11.3005      2.00000
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     17      -5.0844      2.00000
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     21       1.1203      0.00000
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     24       2.4678      0.00000
     25       2.7757      0.00000
     26       3.0256      0.00000
     27       3.1744      0.00000
     28       3.4712      0.00000

 k-point   353 :      -0.2174    0.1905    0.3333
  band No.  band energies     occupation 
      1     -25.1953      2.00000
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     10     -11.5916      2.00000
     11     -11.1627      2.00000
     12      -9.9254      2.00000
     13      -9.6790      2.00000
     14      -9.3678      2.00000
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     16      -8.0042      2.00000
     17      -5.1450      2.00000
     18      -4.4468      2.00000
     19      -4.3309      2.00000
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     21       0.9733      0.00000
     22       1.0677      0.00000
     23       2.0970      0.00000
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     25       2.5985      0.00000
     26       2.8653      0.00000
     27       3.1497      0.00000
     28       3.2829      0.00000

 k-point   354 :      -0.1739    0.1905    0.3333
  band No.  band energies     occupation 
      1     -25.3110      2.00000
      2     -22.2636      2.00000
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     10     -11.9117      2.00000
     11     -11.0609      2.00000
     12      -9.9213      2.00000
     13      -9.7606      2.00000
     14      -9.3744      2.00000
     15      -9.0459      2.00000
     16      -7.8706      2.00000
     17      -5.1893      2.00000
     18      -4.3228      2.00000
     19      -4.1834      2.00000
     20      -3.5527      2.00000
     21       0.8565      0.00000
     22       0.9409      0.00000
     23       1.9390      0.00000
     24       2.1319      0.00000
     25       2.4531      0.00000
     26       2.7343      0.00000
     27       3.0402      0.00000
     28       3.1176      0.00000

 k-point   355 :      -0.1304    0.1905    0.3333
  band No.  band energies     occupation 
      1     -25.4012      2.00000
      2     -22.3417      2.00000
      3     -20.8830      2.00000
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      5     -16.7350      2.00000
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     10     -12.1829      2.00000
     11     -10.9982      2.00000
     12      -9.9557      2.00000
     13      -9.8994      2.00000
     14      -9.2814      2.00000
     15      -8.9916      2.00000
     16      -7.7637      2.00000
     17      -5.2186      2.00000
     18      -4.2297      2.00000
     19      -4.0569      2.00000
     20      -3.4654      2.00000
     21       0.7688      0.00000
     22       0.8440      0.00000
     23       1.8162      0.00000
     24       2.0148      0.00000
     25       2.3402      0.00000
     26       2.6343      0.00000
     27       2.8909      0.00000
     28       2.9787      0.00000

 k-point   356 :      -0.0870    0.1905    0.3333
  band No.  band energies     occupation 
      1     -25.4658      2.00000
      2     -22.3979      2.00000
      3     -20.5739      2.00000
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      5     -16.8370      2.00000
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      7     -14.0643      2.00000
      8     -13.1777      2.00000
      9     -13.0825      2.00000
     10     -12.3865      2.00000
     11     -10.9656      2.00000
     12     -10.1390      2.00000
     13      -9.8723      2.00000
     14      -9.1969      2.00000
     15      -8.9447      2.00000
     16      -7.6875      2.00000
     17      -5.2355      2.00000
     18      -4.1676      2.00000
     19      -3.9593      2.00000
     20      -3.4004      2.00000
     21       0.7083      0.00000
     22       0.7755      0.00000
     23       1.7285      0.00000
     24       1.9313      0.00000
     25       2.2598      0.00000
     26       2.5635      0.00000
     27       2.7498      0.00000
     28       2.8739      0.00000

 k-point   357 :      -0.0435    0.1905    0.3333
  band No.  band energies     occupation 
      1     -25.5045      2.00000
      2     -22.4318      2.00000
      3     -20.3524      2.00000
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      5     -17.0901      2.00000
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      7     -13.8910      2.00000
      8     -13.3156      2.00000
      9     -13.1313      2.00000
     10     -12.5157      2.00000
     11     -10.9515      2.00000
     12     -10.2663      2.00000
     13      -9.8519      2.00000
     14      -9.1424      2.00000
     15      -8.9115      2.00000
     16      -7.6427      2.00000
     17      -5.2435      2.00000
     18      -4.1329      2.00000
     19      -3.8975      2.00000
     20      -3.3605      2.00000
     21       0.6731      0.00000
     22       0.7346      0.00000
     23       1.6760      0.00000
     24       1.8811      0.00000
     25       2.2118      0.00000
     26       2.5212      0.00000
     27       2.6525      0.00000
     28       2.8080      0.00000

 k-point   358 :       0.0000    0.2381    0.3333
  band No.  band energies     occupation 
      1     -25.4062      2.00000
      2     -22.7727      2.00000
      3     -20.1852      2.00000
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      8     -13.4423      2.00000
      9     -13.3503      2.00000
     10     -12.4569      2.00000
     11     -10.9616      2.00000
     12     -10.0755      2.00000
     13      -9.8418      2.00000
     14      -9.0848      2.00000
     15      -9.0191      2.00000
     16      -7.6197      2.00000
     17      -5.2883      2.00000
     18      -4.1634      2.00000
     19      -3.9748      2.00000
     20      -3.4439      2.00000
     21       0.7704      0.00000
     22       0.8208      0.00000
     23       1.8209      0.00000
     24       2.0112      0.00000
     25       2.3338      0.00000
     26       2.5880      0.00000
     27       2.6797      0.00000
     28       2.9368      0.00000

 k-point   359 :       0.0435    0.2381    0.3333
  band No.  band energies     occupation 
      1     -25.3933      2.00000
      2     -22.7611      2.00000
      3     -20.2668      2.00000
      4     -19.5909      2.00000
      5     -17.0550      2.00000
      6     -16.6745      2.00000
      7     -13.5679      2.00000
      8     -13.3952      2.00000
      9     -13.3315      2.00000
     10     -12.4203      2.00000
     11     -10.9735      2.00000
     12     -10.0337      2.00000
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     15      -9.0344      2.00000
     16      -7.6321      2.00000
     17      -5.2882      2.00000
     18      -4.1738      2.00000
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     25       2.3496      0.00000
     26       2.6022      0.00000
     27       2.7118      0.00000
     28       2.9515      0.00000

 k-point   360 :       0.0870    0.2381    0.3333
  band No.  band energies     occupation 
      1     -25.3547      2.00000
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     17      -5.2867      2.00000
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     20      -3.5007      2.00000
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     22       0.8738      0.00000
     23       1.8909      0.00000
     24       2.0770      0.00000
     25       2.3969      0.00000
     26       2.6442      0.00000
     27       2.8030      0.00000
     28       2.9924      0.00000

 k-point   361 :       0.1304    0.2381    0.3333
  band No.  band energies     occupation 
      1     -25.2903      2.00000
      2     -22.6684      2.00000
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     11     -11.0850      2.00000
     12      -9.8732      2.00000
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     16      -7.7397      2.00000
     17      -5.2800      2.00000
     18      -4.2651      2.00000
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     20      -3.5693      2.00000
     21       0.8809      0.00000
     22       0.9400      0.00000
     23       1.9785      0.00000
     24       2.1590      0.00000
     25       2.4755      0.00000
     26       2.7137      0.00000
     27       2.9345      0.00000
     28       3.0530      0.00000

 k-point   362 :       0.1739    0.2381    0.3333
  band No.  band energies     occupation 
      1     -25.2003      2.00000
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     10     -11.9644      2.00000
     11     -11.1979      2.00000
     12      -9.8729      2.00000
     13      -9.6110      2.00000
     14      -9.1990      2.00000
     15      -9.1420      2.00000
     16      -7.8409      2.00000
     17      -5.2636      2.00000
     18      -4.3535      2.00000
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     20      -3.6608      2.00000
     21       0.9707      0.00000
     22       1.0333      0.00000
     23       2.1011      0.00000
     24       2.2735      0.00000
     25       2.5851      0.00000
     26       2.8114      0.00000
     27       3.0686      0.00000
     28       3.1351      0.00000

 k-point   363 :       0.2174    0.2381    0.3333
  band No.  band energies     occupation 
      1     -25.0848      2.00000
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     10     -11.6968      2.00000
     11     -11.3502      2.00000
     12      -9.8528      2.00000
     13      -9.5758      2.00000
     14      -9.1656      2.00000
     15      -9.1622      2.00000
     16      -7.9736      2.00000
     17      -5.2335      2.00000
     18      -4.4738      2.00000
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     20      -3.7712      2.00000
     21       1.0898      0.00000
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     23       2.2588      0.00000
     24       2.4205      0.00000
     25       2.7255      0.00000
     26       2.9391      0.00000
     27       3.1481      0.00000
     28       3.2490      0.00000

 k-point   364 :       0.2609    0.2381    0.3333
  band No.  band energies     occupation 
      1     -24.9441      2.00000
      2     -22.3603      2.00000
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     10     -11.5285      2.00000
     11     -11.3836      2.00000
     12      -9.8150      2.00000
     13      -9.6642      2.00000
     14      -9.1980      2.00000
     15      -9.0347      2.00000
     16      -8.1316      2.00000
     17      -5.1877      2.00000
     18      -4.6192      2.00000
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     20      -3.8955      2.00000
     21       1.2389      0.00000
     22       1.3065      0.00000
     23       2.4515      0.00000
     24       2.6004      0.00000
     25       2.8952      0.00000
     26       3.0785      0.00000
     27       3.1559      0.00000
     28       3.3999      0.00000

 k-point   365 :       0.3043    0.2381    0.3333
  band No.  band energies     occupation 
      1     -24.7784      2.00000
      2     -22.2596      2.00000
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     10     -11.6906      2.00000
     11     -11.0705      2.00000
     12      -9.7762      2.00000
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     15      -8.9122      2.00000
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     17      -5.1256      2.00000
     18      -4.7746      2.00000
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     20      -4.0290      2.00000
     21       1.4179      0.00000
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     23       2.6787      0.00000
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     25       2.9967      0.00000
     26       3.1279      0.00000
     27       3.3214      0.00000
     28       3.5756      0.00000

 k-point   366 :       0.3478    0.2381    0.3333
  band No.  band energies     occupation 
      1     -24.5880      2.00000
      2     -22.6175      2.00000
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     10     -11.7027      2.00000
     11     -10.8376      2.00000
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     13      -9.7785      2.00000
     14      -9.2744      2.00000
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     17      -5.0476      2.00000
     18      -4.9236      2.00000
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     20      -4.1679      2.00000
     21       1.6252      0.00000
     22       1.7068      0.00000
     23       2.8899      0.00000
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     25       3.0651      0.00000
     26       3.3551      0.00000
     27       3.5440      0.00000
     28       3.7039      0.00000

 k-point   367 :       0.3913    0.2381    0.3333
  band No.  band energies     occupation 
      1     -24.3734      2.00000
      2     -22.9601      2.00000
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     10     -11.4726      2.00000
     11     -10.7807      2.00000
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     13      -9.7225      2.00000
     14      -9.2519      2.00000
     15      -8.8331      2.00000
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     17      -5.0502      2.00000
     18      -5.0084      2.00000
     19      -4.9539      2.00000
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     21       1.8574      0.00000
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     23       2.8286      0.00000
     24       3.2387      0.00000
     25       3.3323      0.00000
     26       3.4839      0.00000
     27       3.6057      0.00000
     28       3.6890      0.00000

 k-point   368 :       0.4348    0.2381    0.3333
  band No.  band energies     occupation 
      1     -24.1350      2.00000
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     10     -11.1353      2.00000
     11     -10.8823      2.00000
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     17      -5.1390      2.00000
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     21       2.1093      0.00000
     22       2.2327      0.00000
     23       2.7679      0.00000
     24       3.1789      0.00000
     25       3.3899      0.00000
     26       3.5734      0.00000
     27       3.6605      0.00000
     28       3.8003      0.00000

 k-point   369 :       0.4783    0.2381    0.3333
  band No.  band energies     occupation 
      1     -23.8735      2.00000
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     17      -5.1797      2.00000
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     19      -4.7225      2.00000
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     21       2.3711      0.00000
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     23       2.6150      0.00000
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     25       3.3600      0.00000
     26       3.5274      0.00000
     27       3.9205      0.00000
     28       4.0006      0.00000

 k-point   370 :      -0.4783    0.2381    0.3333
  band No.  band energies     occupation 
      1     -23.8735      2.00000
      2     -23.5898      2.00000
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     10     -11.0562      2.00000
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     17      -5.1792      2.00000
     18      -5.1680      2.00000
     19      -4.7237      2.00000
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     21       2.3710      0.00000
     22       2.5350      0.00000
     23       2.6149      0.00000
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     25       3.3603      0.00000
     26       3.5271      0.00000
     27       3.9203      0.00000
     28       4.0002      0.00000

 k-point   371 :      -0.4348    0.2381    0.3333
  band No.  band energies     occupation 
      1     -24.1350      2.00000
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     10     -11.1353      2.00000
     11     -10.8825      2.00000
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     13      -9.5003      2.00000
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     17      -5.1384      2.00000
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     19      -4.8462      2.00000
     20      -4.4502      2.00000
     21       2.1091      0.00000
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     23       2.7677      0.00000
     24       3.1792      0.00000
     25       3.3903      0.00000
     26       3.5733      0.00000
     27       3.6602      0.00000
     28       3.7998      0.00000

 k-point   372 :      -0.3913    0.2381    0.3333
  band No.  band energies     occupation 
      1     -24.3734      2.00000
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     10     -11.4724      2.00000
     11     -10.7809      2.00000
     12      -9.8873      2.00000
     13      -9.7211      2.00000
     14      -9.2520      2.00000
     15      -8.8342      2.00000
     16      -8.6377      2.00000
     17      -5.0496      2.00000
     18      -5.0088      2.00000
     19      -4.9551      2.00000
     20      -4.3084      2.00000
     21       1.8571      0.00000
     22       1.9550      0.00000
     23       2.8283      0.00000
     24       3.2386      0.00000
     25       3.3322      0.00000
     26       3.4841      0.00000
     27       3.6056      0.00000
     28       3.6894      0.00000

 k-point   373 :      -0.3478    0.2381    0.3333
  band No.  band energies     occupation 
      1     -24.5880      2.00000
      2     -22.6175      2.00000
      3     -22.0490      2.00000
      4     -20.5145      2.00000
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      8     -12.3832      2.00000
      9     -11.8720      2.00000
     10     -11.7024      2.00000
     11     -10.8373      2.00000
     12      -9.8224      2.00000
     13      -9.7769      2.00000
     14      -9.2750      2.00000
     15      -8.8394      2.00000
     16      -8.4768      2.00000
     17      -5.0489      2.00000
     18      -4.9230      2.00000
     19      -4.8773      2.00000
     20      -4.1669      2.00000
     21       1.6249      0.00000
     22       1.7067      0.00000
     23       2.8895      0.00000
     24       2.9512      0.00000
     25       3.0649      0.00000
     26       3.3550      0.00000
     27       3.5440      0.00000
     28       3.7040      0.00000

 k-point   374 :      -0.3043    0.2381    0.3333
  band No.  band energies     occupation 
      1     -24.7784      2.00000
      2     -22.2596      2.00000
      3     -22.2146      2.00000
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     10     -11.6905      2.00000
     11     -11.0696      2.00000
     12      -9.7753      2.00000
     13      -9.7734      2.00000
     14      -9.2419      2.00000
     15      -8.9129      2.00000
     16      -8.3045      2.00000
     17      -5.1269      2.00000
     18      -4.7742      2.00000
     19      -4.7261      2.00000
     20      -4.0281      2.00000
     21       1.4176      0.00000
     22       1.4902      0.00000
     23       2.6786      0.00000
     24       2.8128      0.00000
     25       2.9961      0.00000
     26       3.1281      0.00000
     27       3.3213      0.00000
     28       3.5754      0.00000

 k-point   375 :      -0.2609    0.2381    0.3333
  band No.  band energies     occupation 
      1     -24.9441      2.00000
      2     -22.3603      2.00000
      3     -21.8903      2.00000
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     10     -11.5287      2.00000
     11     -11.3821      2.00000
     12      -9.8131      2.00000
     13      -9.6642      2.00000
     14      -9.1989      2.00000
     15      -9.0352      2.00000
     16      -8.1322      2.00000
     17      -5.1889      2.00000
     18      -4.6191      2.00000
     19      -4.5688      2.00000
     20      -3.8947      2.00000
     21       1.2387      0.00000
     22       1.3064      0.00000
     23       2.4515      0.00000
     24       2.6003      0.00000
     25       2.8949      0.00000
     26       3.0785      0.00000
     27       3.1556      0.00000
     28       3.3997      0.00000

 k-point   376 :      -0.2174    0.2381    0.3333
  band No.  band energies     occupation 
      1     -25.0848      2.00000
      2     -22.4849      2.00000
      3     -21.5155      2.00000
      4     -19.9241      2.00000
      5     -17.0512      2.00000
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      7     -14.5659      2.00000
      8     -12.8696      2.00000
      9     -12.4994      2.00000
     10     -11.6949      2.00000
     11     -11.3507      2.00000
     12      -9.8510      2.00000
     13      -9.5765      2.00000
     14      -9.1665      2.00000
     15      -9.1620      2.00000
     16      -7.9741      2.00000
     17      -5.2346      2.00000
     18      -4.4741      2.00000
     19      -4.4165      2.00000
     20      -3.7705      2.00000
     21       1.0896      0.00000
     22       1.1547      0.00000
     23       2.2588      0.00000
     24       2.4204      0.00000
     25       2.7253      0.00000
     26       2.9390      0.00000
     27       3.1478      0.00000
     28       3.2491      0.00000

 k-point   377 :      -0.1739    0.2381    0.3333
  band No.  band energies     occupation 
      1     -25.2003      2.00000
      2     -22.5878      2.00000
      3     -21.1444      2.00000
      4     -19.7896      2.00000
      5     -16.9798      2.00000
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      7     -14.2631      2.00000
      8     -13.0439      2.00000
      9     -12.7441      2.00000
     10     -11.9623      2.00000
     11     -11.1984      2.00000
     12      -9.8712      2.00000
     13      -9.6122      2.00000
     14      -9.1983      2.00000
     15      -9.1428      2.00000
     16      -7.8413      2.00000
     17      -5.2645      2.00000
     18      -4.3540      2.00000
     19      -4.2751      2.00000
     20      -3.6603      2.00000
     21       0.9705      0.00000
     22       1.0332      0.00000
     23       2.1011      0.00000
     24       2.2734      0.00000
     25       2.5849      0.00000
     26       2.8113      0.00000
     27       3.0685      0.00000
     28       3.1354      0.00000

 k-point   378 :      -0.1304    0.2381    0.3333
  band No.  band energies     occupation 
      1     -25.2903      2.00000
      2     -22.6684      2.00000
      3     -20.7925      2.00000
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      7     -13.9807      2.00000
      8     -13.1791      2.00000
      9     -13.0011      2.00000
     10     -12.1682      2.00000
     11     -11.0855      2.00000
     12      -9.8717      2.00000
     13      -9.7612      2.00000
     14      -9.1424      2.00000
     15      -9.1229      2.00000
     16      -7.7399      2.00000
     17      -5.2808      2.00000
     18      -4.2655      2.00000
     19      -4.1520      2.00000
     20      -3.5688      2.00000
     21       0.8808      0.00000
     22       0.9400      0.00000
     23       1.9785      0.00000
     24       2.1590      0.00000
     25       2.4754      0.00000
     26       2.7136      0.00000
     27       2.9348      0.00000
     28       3.0534      0.00000

 k-point   379 :      -0.0870    0.2381    0.3333
  band No.  band energies     occupation 
      1     -25.3547      2.00000
      2     -22.7263      2.00000
      3     -20.4860      2.00000
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     10     -12.3190      2.00000
     11     -11.0127      2.00000
     12      -9.9197      2.00000
     13      -9.8599      2.00000
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     15      -9.0779      2.00000
     16      -7.6710      2.00000
     17      -5.2873      2.00000
     18      -4.2069      2.00000
     19      -4.0562      2.00000
     20      -3.5004      2.00000
     21       0.8186      0.00000
     22       0.8737      0.00000
     23       1.8909      0.00000
     24       2.0770      0.00000
     25       2.3968      0.00000
     26       2.6441      0.00000
     27       2.8033      0.00000
     28       2.9928      0.00000

 k-point   380 :      -0.0435    0.2381    0.3333
  band No.  band energies     occupation 
      1     -25.3933      2.00000
      2     -22.7611      2.00000
      3     -20.2668      2.00000
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     10     -12.4192      2.00000
     11     -10.9738      2.00000
     12     -10.0341      2.00000
     13      -9.8470      2.00000
     14      -9.0904      2.00000
     15      -9.0342      2.00000
     16      -7.6321      2.00000
     17      -5.2885      2.00000
     18      -4.1740      2.00000
     19      -3.9955      2.00000
     20      -3.4581      2.00000
     21       0.7823      0.00000
     22       0.8340      0.00000
     23       1.8384      0.00000
     24       2.0277      0.00000
     25       2.3496      0.00000
     26       2.6021      0.00000
     27       2.7120      0.00000
     28       2.9518      0.00000

 k-point   381 :       0.0000    0.2857    0.3333
  band No.  band energies     occupation 
      1     -25.2710      2.00000
      2     -23.0956      2.00000
      3     -20.0847      2.00000
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      9     -13.1669      2.00000
     10     -12.2510      2.00000
     11     -11.0152      2.00000
     12      -9.8679      2.00000
     13      -9.8658      2.00000
     14      -9.2734      2.00000
     15      -8.8898      2.00000
     16      -7.6286      2.00000
     17      -5.3086      2.00000
     18      -4.2162      2.00000
     19      -4.0906      2.00000
     20      -3.5561      2.00000
     21       0.9085      0.00000
     22       0.9537      0.00000
     23       2.0194      0.00000
     24       2.1901      0.00000
     25       2.4978      0.00000
     26       2.7033      0.00000
     27       2.7572      0.00000
     28       3.0758      0.00000

 k-point   382 :       0.0435    0.2857    0.3333
  band No.  band energies     occupation 
      1     -25.2581      2.00000
      2     -23.0838      2.00000
      3     -20.1651      2.00000
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     10     -12.2175      2.00000
     11     -11.0370      2.00000
     12      -9.8692      2.00000
     13      -9.8300      2.00000
     14      -9.2723      2.00000
     15      -8.9001      2.00000
     16      -7.6383      2.00000
     17      -5.3112      2.00000
     18      -4.2262      2.00000
     19      -4.1113      2.00000
     20      -3.5713      2.00000
     21       0.9209      0.00000
     22       0.9666      0.00000
     23       2.0369      0.00000
     24       2.2063      0.00000
     25       2.5134      0.00000
     26       2.7205      0.00000
     27       2.7835      0.00000
     28       3.0750      0.00000

 k-point   383 :       0.0870    0.2857    0.3333
  band No.  band energies     occupation 
      1     -25.2196      2.00000
      2     -23.0482      2.00000
      3     -20.3813      2.00000
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     10     -12.1313      2.00000
     11     -11.1038      2.00000
     12      -9.8700      2.00000
     13      -9.7329      2.00000
     14      -9.2686      2.00000
     15      -8.9289      2.00000
     16      -7.6701      2.00000
     17      -5.3175      2.00000
     18      -4.2572      2.00000
     19      -4.1716      2.00000
     20      -3.6158      2.00000
     21       0.9585      0.00000
     22       1.0053      0.00000
     23       2.0894      0.00000
     24       2.2545      0.00000
     25       2.5599      0.00000
     26       2.7675      0.00000
     27       2.8605      0.00000
     28       3.0738      0.00000

 k-point   384 :       0.1304    0.2857    0.3333
  band No.  band energies     occupation 
      1     -25.1554      2.00000
      2     -22.9890      2.00000
      3     -20.6841      2.00000
      4     -19.6296      2.00000
      5     -16.9510      2.00000
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      7     -13.6533      2.00000
      8     -13.3451      2.00000
      9     -13.1014      2.00000
     10     -12.0115      2.00000
     11     -11.2171      2.00000
     12      -9.8623      2.00000
     13      -9.6057      2.00000
     14      -9.2617      2.00000
     15      -8.9669      2.00000
     16      -7.7295      2.00000
     17      -5.3230      2.00000
     18      -4.3119      2.00000
     19      -4.2665      2.00000
     20      -3.6874      2.00000
     21       1.0225      0.00000
     22       1.0695      0.00000
     23       2.1768      0.00000
     24       2.3344      0.00000
     25       2.6362      0.00000
     26       2.8401      0.00000
     27       2.9708      0.00000
     28       3.0811      0.00000

 k-point   385 :       0.1739    0.2857    0.3333
  band No.  band energies     occupation 
      1     -25.0657      2.00000
      2     -22.9065      2.00000
      3     -21.0323      2.00000
      4     -19.7818      2.00000
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     10     -11.8603      2.00000
     11     -11.3748      2.00000
     12      -9.8393      2.00000
     13      -9.5002      2.00000
     14      -9.2523      2.00000
     15      -8.9878      2.00000
     16      -7.8220      2.00000
     17      -5.3221      2.00000
     18      -4.3993      2.00000
     19      -4.3831      2.00000
     20      -3.7825      2.00000
     21       1.1146      0.00000
     22       1.1593      0.00000
     23       2.2990      0.00000
     24       2.4450      0.00000
     25       2.7408      0.00000
     26       2.9355      0.00000
     27       3.0741      0.00000
     28       3.1190      0.00000

 k-point   386 :       0.2174    0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.9506      2.00000
      2     -22.8011      2.00000
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     10     -11.6682      2.00000
     11     -11.5674      2.00000
     12      -9.7996      2.00000
     13      -9.4798      2.00000
     14      -9.2438      2.00000
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     16      -7.9496      2.00000
     17      -5.3097      2.00000
     18      -4.5368      2.00000
     19      -4.4967      2.00000
     20      -3.8966      2.00000
     21       1.2359      0.00000
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     23       2.4558      0.00000
     24       2.5856      0.00000
     25       2.8718      0.00000
     26       3.0479      0.00000
     27       3.1203      0.00000
     28       3.2106      0.00000

 k-point   387 :       0.2609    0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.8103      2.00000
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     10     -11.7739      2.00000
     11     -11.4246      2.00000
     12      -9.7489      2.00000
     13      -9.5480      2.00000
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     15      -8.8664      2.00000
     16      -8.1090      2.00000
     17      -5.2826      2.00000
     18      -4.6893      2.00000
     19      -4.6303      2.00000
     20      -4.0246      2.00000
     21       1.3870      0.00000
     22       1.4209      0.00000
     23       2.6464      0.00000
     24       2.7568      0.00000
     25       3.0150      0.00000
     26       3.0702      0.00000
     27       3.2201      0.00000
     28       3.3582      0.00000

 k-point   388 :       0.3043    0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.6452      2.00000
      2     -22.5231      2.00000
      3     -22.1385      2.00000
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     10     -11.9005      2.00000
     11     -11.1413      2.00000
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     13      -9.6521      2.00000
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     17      -5.2390      2.00000
     18      -4.8416      2.00000
     19      -4.7797      2.00000
     20      -4.1620      2.00000
     21       1.5674      0.00000
     22       1.5971      0.00000
     23       2.8679      0.00000
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     25       2.9780      0.00000
     26       3.2374      0.00000
     27       3.4085      0.00000
     28       3.5486      0.00000

 k-point   389 :       0.3478    0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.4555      2.00000
      2     -22.4941      2.00000
      3     -22.3521      2.00000
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     10     -11.6690      2.00000
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     15      -8.7635      2.00000
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     17      -5.1776      2.00000
     18      -4.9829      2.00000
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     21       1.7750      0.00000
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     23       2.8744      0.00000
     24       3.1271      0.00000
     25       3.2045      0.00000
     26       3.4570      0.00000
     27       3.6107      0.00000
     28       3.7650      0.00000

 k-point   390 :       0.3913    0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.2416      2.00000
      2     -22.8348      2.00000
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     10     -11.4539      2.00000
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     12      -9.8047      2.00000
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     14      -9.2052      2.00000
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     16      -8.6445      2.00000
     17      -5.1021      2.00000
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     19      -5.0637      2.00000
     20      -4.4525      2.00000
     21       2.0065      0.00000
     22       2.0464      0.00000
     23       2.8518      0.00000
     24       3.3767      0.00000
     25       3.4590      0.00000
     26       3.5587      0.00000
     27       3.7463      0.00000
     28       3.8193      0.00000

 k-point   391 :       0.4348    0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.0042      2.00000
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     10     -11.0973      2.00000
     11     -10.7384      2.00000
     12     -10.0253      2.00000
     13      -9.5473      2.00000
     14      -9.1265      2.00000
     15      -8.9102      2.00000
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     17      -5.1878      2.00000
     18      -5.1644      2.00000
     19      -4.9963      2.00000
     20      -4.5999      2.00000
     21       2.2570      0.00000
     22       2.3160      0.00000
     23       2.8543      0.00000
     24       3.2186      0.00000
     25       3.4999      0.00000
     26       3.7358      0.00000
     27       3.8138      0.00000
     28       3.9455      0.00000

 k-point   392 :       0.4783    0.2857    0.3333
  band No.  band energies     occupation 
      1     -23.7438      2.00000
      2     -23.4613      2.00000
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     10     -10.8699      2.00000
     11     -10.7041      2.00000
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     13      -9.3129      2.00000
     14      -9.0864      2.00000
     15      -9.0253      2.00000
     16      -8.9122      2.00000
     17      -5.2305      2.00000
     18      -5.2206      2.00000
     19      -4.8768      2.00000
     20      -4.7436      2.00000
     21       2.5171      0.00000
     22       2.6093      0.00000
     23       2.7505      0.00000
     24       2.9170      0.00000
     25       3.4578      0.00000
     26       3.6469      0.00000
     27       4.0343      0.00000
     28       4.1921      0.00000

 k-point   393 :      -0.4783    0.2857    0.3333
  band No.  band energies     occupation 
      1     -23.7438      2.00000
      2     -23.4613      2.00000
      3     -21.7244      2.00000
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      5     -16.2270      2.00000
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      9     -11.0491      2.00000
     10     -10.8700      2.00000
     11     -10.7043      2.00000
     12     -10.3364      2.00000
     13      -9.3115      2.00000
     14      -9.0877      2.00000
     15      -9.0247      2.00000
     16      -8.9129      2.00000
     17      -5.2275      2.00000
     18      -5.2235      2.00000
     19      -4.8780      2.00000
     20      -4.7424      2.00000
     21       2.5170      0.00000
     22       2.6091      0.00000
     23       2.7504      0.00000
     24       2.9172      0.00000
     25       3.4579      0.00000
     26       3.6469      0.00000
     27       4.0337      0.00000
     28       4.1902      0.00000

 k-point   394 :      -0.4348    0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.0042      2.00000
      2     -23.1578      2.00000
      3     -21.9512      2.00000
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     10     -11.0973      2.00000
     11     -10.7384      2.00000
     12     -10.0247      2.00000
     13      -9.5459      2.00000
     14      -9.1261      2.00000
     15      -8.9113      2.00000
     16      -8.7890      2.00000
     17      -5.1849      2.00000
     18      -5.1671      2.00000
     19      -4.9975      2.00000
     20      -4.5988      2.00000
     21       2.2568      0.00000
     22       2.3158      0.00000
     23       2.8541      0.00000
     24       3.2189      0.00000
     25       3.5001      0.00000
     26       3.7357      0.00000
     27       3.8137      0.00000
     28       3.9454      0.00000

 k-point   395 :      -0.3913    0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.2416      2.00000
      2     -22.8348      2.00000
      3     -22.1610      2.00000
      4     -20.9687      2.00000
      5     -16.6207      2.00000
      6     -15.4578      2.00000
      7     -14.2522      2.00000
      8     -12.7666      2.00000
      9     -11.4849      2.00000
     10     -11.4541      2.00000
     11     -10.7195      2.00000
     12      -9.8037      2.00000
     13      -9.7112      2.00000
     14      -9.2053      2.00000
     15      -8.8019      2.00000
     16      -8.6452      2.00000
     17      -5.0996      2.00000
     18      -5.0981      2.00000
     19      -5.0660      2.00000
     20      -4.4514      2.00000
     21       2.0062      0.00000
     22       2.0463      0.00000
     23       2.8516      0.00000
     24       3.3764      0.00000
     25       3.4591      0.00000
     26       3.5591      0.00000
     27       3.7460      0.00000
     28       3.8197      0.00000

 k-point   396 :      -0.3478    0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.4555      2.00000
      2     -22.4941      2.00000
      3     -22.3521      2.00000
      4     -20.7051      2.00000
      5     -16.7722      2.00000
      6     -15.1658      2.00000
      7     -14.5862      2.00000
      8     -12.5466      2.00000
      9     -11.8142      2.00000
     10     -11.6694      2.00000
     11     -10.8729      2.00000
     12      -9.7329      2.00000
     13      -9.7019      2.00000
     14      -9.2438      2.00000
     15      -8.7643      2.00000
     16      -8.4758      2.00000
     17      -5.1790      2.00000
     18      -4.9808      2.00000
     19      -4.9319      2.00000
     20      -4.3045      2.00000
     21       1.7747      0.00000
     22       1.8057      0.00000
     23       2.8742      0.00000
     24       3.1270      0.00000
     25       3.2043      0.00000
     26       3.4572      0.00000
     27       3.6106      0.00000
     28       3.7646      0.00000

 k-point   397 :      -0.3043    0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.6452      2.00000
      2     -22.5231      2.00000
      3     -22.1385      2.00000
      4     -20.4457      2.00000
      5     -16.8884      2.00000
      6     -14.9390      2.00000
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      8     -12.5253      2.00000
      9     -11.9247      2.00000
     10     -11.9011      2.00000
     11     -11.1398      2.00000
     12      -9.7020      2.00000
     13      -9.6518      2.00000
     14      -9.2460      2.00000
     15      -8.7922      2.00000
     16      -8.2906      2.00000
     17      -5.2404      2.00000
     18      -4.8399      2.00000
     19      -4.7811      2.00000
     20      -4.1611      2.00000
     21       1.5671      0.00000
     22       1.5970      0.00000
     23       2.8677      0.00000
     24       2.9399      0.00000
     25       2.9775      0.00000
     26       3.2376      0.00000
     27       3.4082      0.00000
     28       3.5478      0.00000

 k-point   398 :      -0.2609    0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.8103      2.00000
      2     -22.6730      2.00000
      3     -21.7719      2.00000
      4     -20.1988      2.00000
      5     -16.9655      2.00000
      6     -15.3113      2.00000
      7     -14.5512      2.00000
      8     -12.7380      2.00000
      9     -12.1640      2.00000
     10     -11.7740      2.00000
     11     -11.4226      2.00000
     12      -9.7470      2.00000
     13      -9.5481      2.00000
     14      -9.2419      2.00000
     15      -8.8666      2.00000
     16      -8.1095      2.00000
     17      -5.2839      2.00000
     18      -4.6878      2.00000
     19      -4.6316      2.00000
     20      -4.0237      2.00000
     21       1.3868      0.00000
     22       1.4209      0.00000
     23       2.6464      0.00000
     24       2.7567      0.00000
     25       3.0144      0.00000
     26       3.0706      0.00000
     27       3.2200      0.00000
     28       3.3573      0.00000

 k-point   399 :      -0.2174    0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.9506      2.00000
      2     -22.8011      2.00000
      3     -21.4000      2.00000
      4     -19.9742      2.00000
      5     -17.0003      2.00000
      6     -15.6986      2.00000
      7     -14.2399      2.00000
      8     -12.9790      2.00000
      9     -12.4659      2.00000
     10     -11.6660      2.00000
     11     -11.5677      2.00000
     12      -9.7978      2.00000
     13      -9.4805      2.00000
     14      -9.2450      2.00000
     15      -8.9502      2.00000
     16      -7.9500      2.00000
     17      -5.3109      2.00000
     18      -4.5355      2.00000
     19      -4.4978      2.00000
     20      -3.8958      2.00000
     21       1.2356      0.00000
     22       1.2758      0.00000
     23       2.4557      0.00000
     24       2.5856      0.00000
     25       2.8717      0.00000
     26       3.0479      0.00000
     27       3.1201      0.00000
     28       3.2100      0.00000

 k-point   400 :      -0.1739    0.2857    0.3333
  band No.  band energies     occupation 
      1     -25.0657      2.00000
      2     -22.9065      2.00000
      3     -21.0323      2.00000
      4     -19.7819      2.00000
      5     -16.9931      2.00000
      6     -16.0891      2.00000
      7     -13.9368      2.00000
      8     -13.1852      2.00000
      9     -12.7901      2.00000
     10     -11.8581      2.00000
     11     -11.3752      2.00000
     12      -9.8375      2.00000
     13      -9.5013      2.00000
     14      -9.2535      2.00000
     15      -8.9871      2.00000
     16      -7.8223      2.00000
     17      -5.3231      2.00000
     18      -4.3984      2.00000
     19      -4.3838      2.00000
     20      -3.7819      2.00000
     21       1.1143      0.00000
     22       1.1593      0.00000
     23       2.2990      0.00000
     24       2.4449      0.00000
     25       2.7407      0.00000
     26       2.9354      0.00000
     27       3.0741      0.00000
     28       3.1187      0.00000

 k-point   401 :      -0.1304    0.2857    0.3333
  band No.  band energies     occupation 
      1     -25.1554      2.00000
      2     -22.9890      2.00000
      3     -20.6841      2.00000
      4     -19.6296      2.00000
      5     -16.9507      2.00000
      6     -16.4628      2.00000
      7     -13.6543      2.00000
      8     -13.3452      2.00000
      9     -13.1019      2.00000
     10     -12.0094      2.00000
     11     -11.2176      2.00000
     12      -9.8606      2.00000
     13      -9.6068      2.00000
     14      -9.2627      2.00000
     15      -8.9663      2.00000
     16      -7.7297      2.00000
     17      -5.3239      2.00000
     18      -4.3121      2.00000
     19      -4.2662      2.00000
     20      -3.6869      2.00000
     21       1.0224      0.00000
     22       1.0695      0.00000
     23       2.1768      0.00000
     24       2.3343      0.00000
     25       2.6362      0.00000
     26       2.8399      0.00000
     27       2.9712      0.00000
     28       3.0811      0.00000

 k-point   402 :      -0.0870    0.2857    0.3333
  band No.  band energies     occupation 
      1     -25.2196      2.00000
      2     -23.0482      2.00000
      3     -20.3813      2.00000
      4     -19.5216      2.00000
      5     -16.8896      2.00000
      6     -16.7884      2.00000
      7     -13.4580      2.00000
      8     -13.4177      2.00000
      9     -13.3574      2.00000
     10     -12.1295      2.00000
     11     -11.1041      2.00000
     12      -9.8687      2.00000
     13      -9.7337      2.00000
     14      -9.2694      2.00000
     15      -8.9285      2.00000
     16      -7.6702      2.00000
     17      -5.3181      2.00000
     18      -4.2574      2.00000
     19      -4.1713      2.00000
     20      -3.6155      2.00000
     21       0.9584      0.00000
     22       1.0053      0.00000
     23       2.0894      0.00000
     24       2.2545      0.00000
     25       2.5599      0.00000
     26       2.7672      0.00000
     27       2.8609      0.00000
     28       3.0741      0.00000

 k-point   403 :      -0.0435    0.2857    0.3333
  band No.  band energies     occupation 
      1     -25.2581      2.00000
      2     -23.0838      2.00000
      3     -20.1651      2.00000
      4     -19.4579      2.00000
      5     -17.0202      2.00000
      6     -16.8352      2.00000
      7     -13.5439      2.00000
      8     -13.5248      2.00000
      9     -13.2332      2.00000
     10     -12.2164      2.00000
     11     -11.0372      2.00000
     12      -9.8685      2.00000
     13      -9.8304      2.00000
     14      -9.2727      2.00000
     15      -8.8999      2.00000
     16      -7.6384      2.00000
     17      -5.3115      2.00000
     18      -4.2263      2.00000
     19      -4.1111      2.00000
     20      -3.5711      2.00000
     21       0.9209      0.00000
     22       0.9666      0.00000
     23       2.0369      0.00000
     24       2.2063      0.00000
     25       2.5134      0.00000
     26       2.7203      0.00000
     27       2.7838      0.00000
     28       3.0753      0.00000

 k-point   404 :       0.0000    0.3333    0.3333
  band No.  band energies     occupation 
      1     -25.1122      2.00000
      2     -23.4080      2.00000
      3     -19.9708      2.00000
      4     -19.3577      2.00000
      5     -17.0710      2.00000
      6     -16.9341      2.00000
      7     -13.7526      2.00000
      8     -13.7235      2.00000
      9     -12.8450      2.00000
     10     -11.9866      2.00000
     11     -11.1158      2.00000
     12      -9.9534      2.00000
     13      -9.7006      2.00000
     14      -9.4268      2.00000
     15      -8.7336      2.00000
     16      -7.6636      2.00000
     17      -5.2952      2.00000
     18      -4.3159      2.00000
     19      -4.1750      2.00000
     20      -3.6785      2.00000
     21       1.0766      0.00000
     22       1.1252      0.00000
     23       2.2536      0.00000
     24       2.3967      0.00000
     25       2.6722      0.00000
     26       2.7797      0.00000
     27       2.8852      0.00000
     28       3.1527      0.00000

 k-point   405 :       0.0435    0.3333    0.3333
  band No.  band energies     occupation 
      1     -25.0994      2.00000
      2     -23.3959      2.00000
      3     -20.0495      2.00000
      4     -19.3900      2.00000
      5     -16.9907      2.00000
      6     -16.9412      2.00000
      7     -13.6973      2.00000
      8     -13.6901      2.00000
      9     -12.9116      2.00000
     10     -11.9538      2.00000
     11     -11.1480      2.00000
     12      -9.9479      2.00000
     13      -9.6713      2.00000
     14      -9.4216      2.00000
     15      -8.7382      2.00000
     16      -7.6704      2.00000
     17      -5.3006      2.00000
     18      -4.3288      2.00000
     19      -4.1924      2.00000
     20      -3.6943      2.00000
     21       1.0894      0.00000
     22       1.1379      0.00000
     23       2.2711      0.00000
     24       2.4124      0.00000
     25       2.6881      0.00000
     26       2.8021      0.00000
     27       2.9006      0.00000
     28       3.1471      0.00000

 k-point   406 :       0.0870    0.3333    0.3333
  band No.  band energies     occupation 
      1     -25.0610      2.00000
      2     -23.3597      2.00000
      3     -20.2617      2.00000
      4     -19.4854      2.00000
      5     -16.9550      2.00000
      6     -16.7750      2.00000
      7     -13.6181      2.00000
      8     -13.5124      2.00000
      9     -13.0870      2.00000
     10     -11.8719      2.00000
     11     -11.2426      2.00000
     12      -9.9297      2.00000
     13      -9.5942      2.00000
     14      -9.4067      2.00000
     15      -8.7501      2.00000
     16      -7.6940      2.00000
     17      -5.3153      2.00000
     18      -4.3691      2.00000
     19      -4.2418      2.00000
     20      -3.7403      2.00000
     21       1.1282      0.00000
     22       1.1760      0.00000
     23       2.3233      0.00000
     24       2.4591      0.00000
     25       2.7344      0.00000
     26       2.8641      0.00000
     27       2.9453      0.00000
     28       3.1320      0.00000

 k-point   407 :       0.1304    0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.9970      2.00000
      2     -23.2995      2.00000
      3     -20.5595      2.00000
      4     -19.6393      2.00000
      5     -16.9595      2.00000
      6     -16.4748      2.00000
      7     -13.4845      2.00000
      8     -13.3328      2.00000
      9     -13.2402      2.00000
     10     -11.7642      2.00000
     11     -11.3924      2.00000
     12      -9.8977      2.00000
     13      -9.4975      2.00000
     14      -9.3835      2.00000
     15      -8.7630      2.00000
     16      -7.7418      2.00000
     17      -5.3341      2.00000
     18      -4.4411      2.00000
     19      -4.3157      2.00000
     20      -3.8142      2.00000
     21       1.1940      0.00000
     22       1.2389      0.00000
     23       2.4102      0.00000
     24       2.5358      0.00000
     25       2.8080      0.00000
     26       2.9492      0.00000
     27       3.0082      0.00000
     28       3.1243      0.00000

 k-point   408 :       0.1739    0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.9077      2.00000
      2     -23.2154      2.00000
      3     -20.9028      2.00000
      4     -19.8428      2.00000
      5     -16.9403      2.00000
      6     -16.1343      2.00000
      7     -13.6131      2.00000
      8     -13.2956      2.00000
      9     -12.9087      2.00000
     10     -11.6377      2.00000
     11     -11.5864      2.00000
     12      -9.8523      2.00000
     13      -9.4202      2.00000
     14      -9.3539      2.00000
     15      -8.7639      2.00000
     16      -7.8221      2.00000
     17      -5.3507      2.00000
     18      -4.5457      2.00000
     19      -4.4081      2.00000
     20      -3.9118      2.00000
     21       1.2882      0.00000
     22       1.3262      0.00000
     23       2.5310      0.00000
     24       2.6403      0.00000
     25       2.9008      0.00000
     26       3.0241      0.00000
     27       3.0620      0.00000
     28       3.1780      0.00000

 k-point   409 :       0.2174    0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.7930      2.00000
      2     -23.1079      2.00000
      3     -21.2662      2.00000
      4     -20.0845      2.00000
      5     -16.8896      2.00000
      6     -15.7831      2.00000
      7     -13.9159      2.00000
      8     -13.0548      2.00000
      9     -12.5403      2.00000
     10     -11.8090      2.00000
     11     -11.4898      2.00000
     12      -9.7966      2.00000
     13      -9.3978      2.00000
     14      -9.3208      2.00000
     15      -8.7409      2.00000
     16      -7.9400      2.00000
     17      -5.3590      2.00000
     18      -4.6755      2.00000
     19      -4.5194      2.00000
     20      -4.0283      2.00000
     21       1.4116      0.00000
     22       1.4384      0.00000
     23       2.6835      0.00000
     24       2.7694      0.00000
     25       2.9978      0.00000
     26       3.0413      0.00000
     27       3.1443      0.00000
     28       3.3057      0.00000

 k-point   410 :       0.2609    0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.6533      2.00000
      2     -22.9772      2.00000
      3     -21.6341      2.00000
      4     -20.3517      2.00000
      5     -16.8051      2.00000
      6     -15.4381      2.00000
      7     -14.2276      2.00000
      8     -12.7833      2.00000
      9     -12.1653      2.00000
     10     -12.0306      2.00000
     11     -11.3140      2.00000
     12      -9.7378      2.00000
     13      -9.4384      2.00000
     14      -9.2875      2.00000
     15      -8.7033      2.00000
     16      -8.0951      2.00000
     17      -5.3545      2.00000
     18      -4.8181      2.00000
     19      -4.6508      2.00000
     20      -4.1588      2.00000
     21       1.5645      0.00000
     22       1.5774      0.00000
     23       2.8587      0.00000
     24       2.9250      0.00000
     25       2.9815      0.00000
     26       3.1258      0.00000
     27       3.2968      0.00000
     28       3.4798      0.00000

 k-point   411 :       0.3043    0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.4889      2.00000
      2     -22.8240      2.00000
      3     -21.9974      2.00000
      4     -20.6334      2.00000
      5     -16.6880      2.00000
      6     -15.1070      2.00000
      7     -14.5398      2.00000
      8     -12.6153      2.00000
      9     -12.1152      2.00000
     10     -11.8134      2.00000
     11     -11.1043      2.00000
     12      -9.6909      2.00000
     13      -9.5200      2.00000
     14      -9.2555      2.00000
     15      -8.6808      2.00000
     16      -8.2800      2.00000
     17      -5.3337      2.00000
     18      -4.9605      2.00000
     19      -4.7978      2.00000
     20      -4.2993      2.00000
     21       1.7456      0.00000
     22       1.7464      0.00000
     23       2.8975      0.00000
     24       3.0458      0.00000
     25       3.1401      0.00000
     26       3.3003      0.00000
     27       3.4946      0.00000
     28       3.6873      0.00000

 k-point   412 :       0.3478    0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.3000      2.00000
      2     -22.6487      2.00000
      3     -22.3501      2.00000
      4     -20.9203      2.00000
      5     -16.5404      2.00000
      6     -14.8464      2.00000
      7     -14.7905      2.00000
      8     -12.7660      2.00000
      9     -11.8523      2.00000
     10     -11.5079      2.00000
     11     -10.8720      2.00000
     12      -9.6854      2.00000
     13      -9.6059      2.00000
     14      -9.2203      2.00000
     15      -8.7011      2.00000
     16      -8.4776      2.00000
     17      -5.2933      2.00000
     18      -5.0906      2.00000
     19      -4.9490      2.00000
     20      -4.4466      2.00000
     21       1.9475      0.00000
     22       1.9529      0.00000
     23       2.8595      0.00000
     24       3.2511      0.00000
     25       3.3945      0.00000
     26       3.5113      0.00000
     27       3.7180      0.00000
     28       3.8947      0.00000

 k-point   413 :       0.3913    0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.0871      2.00000
      2     -22.6883      2.00000
      3     -22.4524      2.00000
      4     -21.2053      2.00000
      5     -16.3647      2.00000
      6     -15.1427      2.00000
      7     -14.4855      2.00000
      8     -13.0285      2.00000
      9     -11.4592      2.00000
     10     -11.2507      2.00000
     11     -10.6762      2.00000
     12      -9.7658      2.00000
     13      -9.6391      2.00000
     14      -9.1705      2.00000
     15      -8.7808      2.00000
     16      -8.6614      2.00000
     17      -5.2298      2.00000
     18      -5.1964      2.00000
     19      -5.0885      2.00000
     20      -4.5982      2.00000
     21       2.1812      0.00000
     22       2.1828      0.00000
     23       2.8872      0.00000
     24       3.4184      0.00000
     25       3.6574      0.00000
     26       3.7180      0.00000
     27       3.8757      0.00000
     28       3.8935      0.00000

 k-point   414 :       0.4348    0.3333    0.3333
  band No.  band energies     occupation 
      1     -23.8508      2.00000
      2     -23.0092      2.00000
      3     -22.2361      2.00000
      4     -21.4830      2.00000
      5     -16.1631      2.00000
      6     -15.4253      2.00000
      7     -14.1880      2.00000
      8     -13.3125      2.00000
      9     -11.0412      2.00000
     10     -11.0290      2.00000
     11     -10.6092      2.00000
     12      -9.9618      2.00000
     13      -9.5499      2.00000
     14      -9.1013      2.00000
     15      -8.9243      2.00000
     16      -8.8094      2.00000
     17      -5.2673      2.00000
     18      -5.1998      2.00000
     19      -5.1410      2.00000
     20      -4.7500      2.00000
     21       2.4314      0.00000
     22       2.4440      0.00000
     23       2.9554      0.00000
     24       3.2988      0.00000
     25       3.6215      0.00000
     26       3.8710      0.00000
     27       4.0166      0.00000
     28       4.0872      0.00000

 k-point   415 :       0.4783    0.3333    0.3333
  band No.  band energies     occupation 
      1     -23.5918      2.00000
      2     -23.3109      2.00000
      3     -22.0011      2.00000
      4     -21.7493      2.00000
      5     -15.9380      2.00000
      6     -15.6911      2.00000
      7     -13.8944      2.00000
      8     -13.6023      2.00000
      9     -10.8363      2.00000
     10     -10.6833      2.00000
     11     -10.6326      2.00000
     12     -10.2620      2.00000
     13      -9.3509      2.00000
     14      -9.1227      2.00000
     15      -9.0182      2.00000
     16      -8.9231      2.00000
     17      -5.2942      2.00000
     18      -5.2700      2.00000
     19      -5.0278      2.00000
     20      -4.8960      2.00000
     21       2.6900      0.00000
     22       2.7293      0.00000
     23       2.9111      0.00000
     24       3.0244      0.00000
     25       3.5605      0.00000
     26       3.7655      0.00000
     27       4.1161      0.00000
     28       4.2451      0.00000

 k-point   416 :      -0.4783    0.3333    0.3333
  band No.  band energies     occupation 
      1     -23.5918      2.00000
      2     -23.3109      2.00000
      3     -22.0011      2.00000
      4     -21.7493      2.00000
      5     -15.9377      2.00000
      6     -15.6915      2.00000
      7     -13.8942      2.00000
      8     -13.6026      2.00000
      9     -10.8366      2.00000
     10     -10.6830      2.00000
     11     -10.6327      2.00000
     12     -10.2617      2.00000
     13      -9.3495      2.00000
     14      -9.1239      2.00000
     15      -9.0175      2.00000
     16      -8.9239      2.00000
     17      -5.2922      2.00000
     18      -5.2719      2.00000
     19      -5.0291      2.00000
     20      -4.8948      2.00000
     21       2.6900      0.00000
     22       2.7291      0.00000
     23       2.9109      0.00000
     24       3.0246      0.00000
     25       3.5605      0.00000
     26       3.7657      0.00000
     27       4.1160      0.00000
     28       4.2448      0.00000

 k-point   417 :      -0.4348    0.3333    0.3333
  band No.  band energies     occupation 
      1     -23.8508      2.00000
      2     -23.0092      2.00000
      3     -22.2360      2.00000
      4     -21.4831      2.00000
      5     -16.1628      2.00000
      6     -15.4257      2.00000
      7     -14.1879      2.00000
      8     -13.3127      2.00000
      9     -11.0413      2.00000
     10     -11.0295      2.00000
     11     -10.6087      2.00000
     12      -9.9613      2.00000
     13      -9.5486      2.00000
     14      -9.1008      2.00000
     15      -8.9254      2.00000
     16      -8.8102      2.00000
     17      -5.2654      2.00000
     18      -5.2016      2.00000
     19      -5.1423      2.00000
     20      -4.7487      2.00000
     21       2.4312      0.00000
     22       2.4439      0.00000
     23       2.9552      0.00000
     24       3.2990      0.00000
     25       3.6214      0.00000
     26       3.8711      0.00000
     27       4.0167      0.00000
     28       4.0867      0.00000

 k-point   418 :      -0.3913    0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.0871      2.00000
      2     -22.6883      2.00000
      3     -22.4524      2.00000
      4     -21.2054      2.00000
      5     -16.3643      2.00000
      6     -15.1432      2.00000
      7     -14.4854      2.00000
      8     -13.0288      2.00000
      9     -11.4592      2.00000
     10     -11.2513      2.00000
     11     -10.6751      2.00000
     12      -9.7651      2.00000
     13      -9.6382      2.00000
     14      -9.1705      2.00000
     15      -8.7818      2.00000
     16      -8.6622      2.00000
     17      -5.2312      2.00000
     18      -5.1946      2.00000
     19      -5.0901      2.00000
     20      -4.5970      2.00000
     21       2.1811      0.00000
     22       2.1825      0.00000
     23       2.8870      0.00000
     24       3.4184      0.00000
     25       3.6575      0.00000
     26       3.7181      0.00000
     27       3.8751      0.00000
     28       3.8934      0.00000

 k-point   419 :      -0.3478    0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.3000      2.00000
      2     -22.6487      2.00000
      3     -22.3501      2.00000
      4     -20.9204      2.00000
      5     -16.5401      2.00000
      6     -14.8469      2.00000
      7     -14.7904      2.00000
      8     -12.7665      2.00000
      9     -11.8521      2.00000
     10     -11.5087      2.00000
     11     -10.8704      2.00000
     12      -9.6843      2.00000
     13      -9.6055      2.00000
     14      -9.2208      2.00000
     15      -8.7019      2.00000
     16      -8.4782      2.00000
     17      -5.2947      2.00000
     18      -5.0889      2.00000
     19      -4.9504      2.00000
     20      -4.4455      2.00000
     21       1.9475      0.00000
     22       1.9526      0.00000
     23       2.8593      0.00000
     24       3.2512      0.00000
     25       3.3945      0.00000
     26       3.5109      0.00000
     27       3.7173      0.00000
     28       3.8947      0.00000

 k-point   420 :      -0.3043    0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.4889      2.00000
      2     -22.8239      2.00000
      3     -21.9974      2.00000
      4     -20.6335      2.00000
      5     -16.6877      2.00000
      6     -15.1069      2.00000
      7     -14.5404      2.00000
      8     -12.6160      2.00000
      9     -12.1148      2.00000
     10     -11.8144      2.00000
     11     -11.1023      2.00000
     12      -9.6895      2.00000
     13      -9.5200      2.00000
     14      -9.2564      2.00000
     15      -8.6813      2.00000
     16      -8.2805      2.00000
     17      -5.3351      2.00000
     18      -4.9590      2.00000
     19      -4.7990      2.00000
     20      -4.2982      2.00000
     21       1.7453      0.00000
     22       1.7464      0.00000
     23       2.8972      0.00000
     24       3.0460      0.00000
     25       3.1401      0.00000
     26       3.2999      0.00000
     27       3.4938      0.00000
     28       3.6868      0.00000

 k-point   421 :      -0.2609    0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.6533      2.00000
      2     -22.9772      2.00000
      3     -21.6341      2.00000
      4     -20.3518      2.00000
      5     -16.8049      2.00000
      6     -15.4381      2.00000
      7     -14.2283      2.00000
      8     -12.7837      2.00000
      9     -12.1662      2.00000
     10     -12.0306      2.00000
     11     -11.3119      2.00000
     12      -9.7363      2.00000
     13      -9.4388      2.00000
     14      -9.2885      2.00000
     15      -8.7035      2.00000
     16      -8.0955      2.00000
     17      -5.3559      2.00000
     18      -4.8167      2.00000
     19      -4.6518      2.00000
     20      -4.1579      2.00000
     21       1.5642      0.00000
     22       1.5774      0.00000
     23       2.8587      0.00000
     24       2.9252      0.00000
     25       2.9811      0.00000
     26       3.1258      0.00000
     27       3.2959      0.00000
     28       3.4793      0.00000

 k-point   422 :      -0.2174    0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.7930      2.00000
      2     -23.1079      2.00000
      3     -21.2661      2.00000
      4     -20.0845      2.00000
      5     -16.8893      2.00000
      6     -15.7831      2.00000
      7     -13.9166      2.00000
      8     -13.0550      2.00000
      9     -12.5410      2.00000
     10     -11.8091      2.00000
     11     -11.4877      2.00000
     12      -9.7950      2.00000
     13      -9.3986      2.00000
     14      -9.3219      2.00000
     15      -8.7407      2.00000
     16      -7.9403      2.00000
     17      -5.3603      2.00000
     18      -4.6744      2.00000
     19      -4.5203      2.00000
     20      -4.0275      2.00000
     21       1.4114      0.00000
     22       1.4384      0.00000
     23       2.6835      0.00000
     24       2.7695      0.00000
     25       2.9980      0.00000
     26       3.0411      0.00000
     27       3.1435      0.00000
     28       3.3052      0.00000

 k-point   423 :      -0.1739    0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.9077      2.00000
      2     -23.2154      2.00000
      3     -20.9028      2.00000
      4     -19.8429      2.00000
      5     -16.9401      2.00000
      6     -16.1343      2.00000
      7     -13.6140      2.00000
      8     -13.2957      2.00000
      9     -12.9093      2.00000
     10     -11.6357      2.00000
     11     -11.5866      2.00000
     12      -9.8507      2.00000
     13      -9.4212      2.00000
     14      -9.3550      2.00000
     15      -8.7634      2.00000
     16      -7.8223      2.00000
     17      -5.3518      2.00000
     18      -4.5448      2.00000
     19      -4.4088      2.00000
     20      -3.9111      2.00000
     21       1.2879      0.00000
     22       1.3262      0.00000
     23       2.5310      0.00000
     24       2.6403      0.00000
     25       2.9012      0.00000
     26       3.0234      0.00000
     27       3.0623      0.00000
     28       3.1774      0.00000

 k-point   424 :      -0.1304    0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.9970      2.00000
      2     -23.2995      2.00000
      3     -20.5595      2.00000
      4     -19.6393      2.00000
      5     -16.9593      2.00000
      6     -16.4748      2.00000
      7     -13.4845      2.00000
      8     -13.3337      2.00000
      9     -13.2407      2.00000
     10     -11.7623      2.00000
     11     -11.3927      2.00000
     12      -9.8962      2.00000
     13      -9.4985      2.00000
     14      -9.3846      2.00000
     15      -8.7624      2.00000
     16      -7.7420      2.00000
     17      -5.3350      2.00000
     18      -4.4405      2.00000
     19      -4.3161      2.00000
     20      -3.8137      2.00000
     21       1.1938      0.00000
     22       1.2389      0.00000
     23       2.4102      0.00000
     24       2.5358      0.00000
     25       2.8082      0.00000
     26       2.9485      0.00000
     27       3.0089      0.00000
     28       3.1239      0.00000

 k-point   425 :      -0.0870    0.3333    0.3333
  band No.  band energies     occupation 
      1     -25.0610      2.00000
      2     -23.3597      2.00000
      3     -20.2617      2.00000
      4     -19.4854      2.00000
      5     -16.9548      2.00000
      6     -16.7750      2.00000
      7     -13.6181      2.00000
      8     -13.5127      2.00000
      9     -13.0880      2.00000
     10     -11.8703      2.00000
     11     -11.2428      2.00000
     12      -9.9285      2.00000
     13      -9.5950      2.00000
     14      -9.4076      2.00000
     15      -8.7497      2.00000
     16      -7.6941      2.00000
     17      -5.3159      2.00000
     18      -4.3688      2.00000
     19      -4.2420      2.00000
     20      -3.7400      2.00000
     21       1.1280      0.00000
     22       1.1760      0.00000
     23       2.3233      0.00000
     24       2.4590      0.00000
     25       2.7345      0.00000
     26       2.8637      0.00000
     27       2.9457      0.00000
     28       3.1320      0.00000

 k-point   426 :      -0.0435    0.3333    0.3333
  band No.  band energies     occupation 
      1     -25.0994      2.00000
      2     -23.3959      2.00000
      3     -20.0495      2.00000
      4     -19.3900      2.00000
      5     -16.9907      2.00000
      6     -16.9411      2.00000
      7     -13.6974      2.00000
      8     -13.6902      2.00000
      9     -12.9123      2.00000
     10     -11.9527      2.00000
     11     -11.1482      2.00000
     12      -9.9472      2.00000
     13      -9.6717      2.00000
     14      -9.4220      2.00000
     15      -8.7380      2.00000
     16      -7.6705      2.00000
     17      -5.3009      2.00000
     18      -4.3287      2.00000
     19      -4.1925      2.00000
     20      -3.6941      2.00000
     21       1.0893      0.00000
     22       1.1379      0.00000
     23       2.2711      0.00000
     24       2.4123      0.00000
     25       2.6881      0.00000
     26       2.8019      0.00000
     27       2.9008      0.00000
     28       3.1473      0.00000

 k-point   427 :       0.0000    0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.9304      2.00000
      2     -23.7067      2.00000
      3     -19.8468      2.00000
      4     -19.3441      2.00000
      5     -17.0445      2.00000
      6     -17.0025      2.00000
      7     -13.8803      2.00000
      8     -13.8680      2.00000
      9     -12.5301      2.00000
     10     -11.6872      2.00000
     11     -11.2644      2.00000
     12     -10.1376      2.00000
     13      -9.5883      2.00000
     14      -9.5021      2.00000
     15      -8.5530      2.00000
     16      -7.7335      2.00000
     17      -5.2405      2.00000
     18      -4.4773      2.00000
     19      -4.1953      2.00000
     20      -3.8043      2.00000
     21       1.2727      0.00000
     22       1.3353      0.00000
     23       2.5098      0.00000
     24       2.5752      0.00000
     25       2.7310      0.00000
     26       2.8151      0.00000
     27       3.0559      0.00000
     28       3.2404      0.00000

 k-point   428 :       0.0435    0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.9177      2.00000
      2     -23.6945      2.00000
      3     -19.9233      2.00000
      4     -19.3882      2.00000
      5     -16.9933      2.00000
      6     -16.9715      2.00000
      7     -13.8368      2.00000
      8     -13.8207      2.00000
      9     -12.5965      2.00000
     10     -11.6545      2.00000
     11     -11.3065      2.00000
     12     -10.1231      2.00000
     13      -9.5655      2.00000
     14      -9.4952      2.00000
     15      -8.5526      2.00000
     16      -7.7371      2.00000
     17      -5.2487      2.00000
     18      -4.4923      2.00000
     19      -4.2106      2.00000
     20      -3.8204      2.00000
     21       1.2859      0.00000
     22       1.3481      0.00000
     23       2.5259      0.00000
     24       2.5902      0.00000
     25       2.7494      0.00000
     26       2.8294      0.00000
     27       3.0688      0.00000
     28       3.2467      0.00000

 k-point   429 :       0.0870    0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.8794      2.00000
      2     -23.6577      2.00000
      3     -20.1300      2.00000
      4     -19.5150      2.00000
      5     -16.9643      2.00000
      6     -16.7764      2.00000
      7     -13.7427      2.00000
      8     -13.6496      2.00000
      9     -12.7706      2.00000
     10     -11.5743      2.00000
     11     -11.4256      2.00000
     12     -10.0834      2.00000
     13      -9.5062      2.00000
     14      -9.4752      2.00000
     15      -8.5513      2.00000
     16      -7.7516      2.00000
     17      -5.2717      2.00000
     18      -4.5369      2.00000
     19      -4.2548      2.00000
     20      -3.8673      2.00000
     21       1.3259      0.00000
     22       1.3862      0.00000
     23       2.5735      0.00000
     24       2.6356      0.00000
     25       2.8006      0.00000
     26       2.8704      0.00000
     27       3.1032      0.00000
     28       3.2566      0.00000

 k-point   430 :       0.1304    0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.8158      2.00000
      2     -23.5967      2.00000
      3     -20.4212      2.00000
      4     -19.7102      2.00000
      5     -16.9132      2.00000
      6     -16.5073      2.00000
      7     -13.5850      2.00000
      8     -13.3876      2.00000
      9     -13.0090      2.00000
     10     -11.6051      2.00000
     11     -11.4717      2.00000
     12     -10.0267      2.00000
     13      -9.4438      2.00000
     14      -9.4317      2.00000
     15      -8.5486      2.00000
     16      -7.7860      2.00000
     17      -5.3041      2.00000
     18      -4.6107      2.00000
     19      -4.3240      2.00000
     20      -3.9423      2.00000
     21       1.3934      0.00000
     22       1.4488      0.00000
     23       2.6487      0.00000
     24       2.7128      0.00000
     25       2.8707      0.00000
     26       2.9306      0.00000
     27       3.1384      0.00000
     28       3.2750      0.00000

 k-point   431 :       0.1739    0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.7268      2.00000
      2     -23.5114      2.00000
      3     -20.7581      2.00000
      4     -19.9560      2.00000
      5     -16.8380      2.00000
      6     -16.2056      2.00000
      7     -13.3648      2.00000
      8     -13.3031      2.00000
      9     -13.0383      2.00000
     10     -11.8264      2.00000
     11     -11.3560      2.00000
     12      -9.9600      2.00000
     13      -9.4026      2.00000
     14      -9.3684      2.00000
     15      -8.5445      2.00000
     16      -7.8509      2.00000
     17      -5.3392      2.00000
     18      -4.7112      2.00000
     19      -4.4144      2.00000
     20      -4.0410      2.00000
     21       1.4895      0.00000
     22       1.5348      0.00000
     23       2.7413      0.00000
     24       2.8244      0.00000
     25       2.9303      0.00000
     26       2.9913      0.00000
     27       3.1744      0.00000
     28       3.3513      0.00000

 k-point   432 :       0.2174    0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.6127      2.00000
      2     -23.4022      2.00000
      3     -21.1156      2.00000
      4     -20.2353      2.00000
      5     -16.7378      2.00000
      6     -15.8971      2.00000
      7     -13.5987      2.00000
      8     -13.0901      2.00000
      9     -12.6617      2.00000
     10     -12.0696      2.00000
     11     -11.2275      2.00000
     12      -9.8891      2.00000
     13      -9.3548      2.00000
     14      -9.3377      2.00000
     15      -8.5416      2.00000
     16      -7.9542      2.00000
     17      -5.3702      2.00000
     18      -4.8320      2.00000
     19      -4.5247      2.00000
     20      -4.1584      2.00000
     21       1.6148      0.00000
     22       1.6440      0.00000
     23       2.8338      0.00000
     24       2.9337      0.00000
     25       2.9737      0.00000
     26       3.0598      0.00000
     27       3.2767      0.00000
     28       3.4797      0.00000

 k-point   433 :       0.2609    0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.4737      2.00000
      2     -23.2694      2.00000
      3     -21.4786      2.00000
      4     -20.5336      2.00000
      5     -16.6129      2.00000
      6     -15.5946      2.00000
      7     -13.9089      2.00000
      8     -12.8054      2.00000
      9     -12.2858      2.00000
     10     -12.2557      2.00000
     11     -11.0847      2.00000
     12      -9.8203      2.00000
     13      -9.3495      2.00000
     14      -9.3033      2.00000
     15      -8.5482      2.00000
     16      -8.0989      2.00000
     17      -5.3913      2.00000
     18      -4.9632      2.00000
     19      -4.6541      2.00000
     20      -4.2901      2.00000
     21       1.7689      0.00000
     22       1.7776      0.00000
     23       2.8889      0.00000
     24       2.9245      0.00000
     25       3.1392      0.00000
     26       3.1984      0.00000
     27       3.4399      0.00000
     28       3.6459      0.00000

 k-point   434 :       0.3043    0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.3101      2.00000
      2     -23.1134      2.00000
      3     -21.8376      2.00000
      4     -20.8401      2.00000
      5     -16.4637      2.00000
      6     -15.3017      2.00000
      7     -14.2212      2.00000
      8     -12.7818      2.00000
      9     -12.2064      2.00000
     10     -11.8470      2.00000
     11     -10.9263      2.00000
     12      -9.7643      2.00000
     13      -9.3989      2.00000
     14      -9.2517      2.00000
     15      -8.5790      2.00000
     16      -8.2807      2.00000
     17      -5.3970      2.00000
     18      -5.0926      2.00000
     19      -4.7994      2.00000
     20      -4.4325      2.00000
     21       1.9393      0.00000
     22       1.9503      0.00000
     23       2.8421      0.00000
     24       3.0479      0.00000
     25       3.3193      0.00000
     26       3.4110      0.00000
     27       3.6401      0.00000
     28       3.8363      0.00000

 k-point   435 :       0.3478    0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.1222      2.00000
      2     -22.9349      2.00000
      3     -22.1866      2.00000
      4     -21.1465      2.00000
      5     -16.2912      2.00000
      6     -15.0168      2.00000
      7     -14.5292      2.00000
      8     -13.0252      2.00000
      9     -11.8336      2.00000
     10     -11.4611      2.00000
     11     -10.7553      2.00000
     12      -9.7408      2.00000
     13      -9.4676      2.00000
     14      -9.2016      2.00000
     15      -8.6496      2.00000
     16      -8.4857      2.00000
     17      -5.3818      2.00000
     18      -5.2077      2.00000
     19      -4.9516      2.00000
     20      -4.5828      2.00000
     21       2.1332      0.00000
     22       2.1561      0.00000
     23       2.8474      0.00000
     24       3.2208      0.00000
     25       3.5119      0.00000
     26       3.6677      0.00000
     27       3.8482      0.00000
     28       3.9968      0.00000

 k-point   436 :       0.3913    0.3810    0.3333
  band No.  band energies     occupation 
      1     -23.9106      2.00000
      2     -22.7345      2.00000
      3     -22.5217      2.00000
      4     -21.4468      2.00000
      5     -16.0962      2.00000
      6     -14.8285      2.00000
      7     -14.7363      2.00000
      8     -13.3090      2.00000
      9     -11.4060      2.00000
     10     -11.1233      2.00000
     11     -10.5908      2.00000
     12      -9.7839      2.00000
     13      -9.5201      2.00000
     14      -9.1522      2.00000
     15      -8.7705      2.00000
     16      -8.6866      2.00000
     17      -5.3398      2.00000
     18      -5.2961      2.00000
     19      -5.0972      2.00000
     20      -4.7378      2.00000
     21       2.3607      0.00000
     22       2.3831      0.00000
     23       2.9279      0.00000
     24       3.4116      0.00000
     25       3.6654      0.00000
     26       3.9398      0.00000
     27       3.9511      0.00000
     28       4.0068      0.00000

 k-point   437 :       0.4348    0.3810    0.3333
  band No.  band energies     occupation 
      1     -23.6757      2.00000
      2     -22.8400      2.00000
      3     -22.5131      2.00000
      4     -21.7365      2.00000
      5     -15.8799      2.00000
      6     -15.1156      2.00000
      7     -14.4563      2.00000
      8     -13.5992      2.00000
      9     -10.9733      2.00000
     10     -10.8498      2.00000
     11     -10.4898      2.00000
     12      -9.9346      2.00000
     13      -9.4967      2.00000
     14      -9.0992      2.00000
     15      -8.9423      2.00000
     16      -8.8487      2.00000
     17      -5.3470      2.00000
     18      -5.2672      2.00000
     19      -5.2207      2.00000
     20      -4.8920      2.00000
     21       2.6183      0.00000
     22       2.6297      0.00000
     23       3.0609      0.00000
     24       3.4106      0.00000
     25       3.7385      0.00000
     26       3.8111      0.00000
     27       4.1237      0.00000
     28       4.1597      0.00000

 k-point   438 :       0.4783    0.3810    0.3333
  band No.  band energies     occupation 
      1     -23.4183      2.00000
      2     -23.1393      2.00000
      3     -22.2719      2.00000
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     10     -10.5626      2.00000
     11     -10.5120      2.00000
     12     -10.2040      2.00000
     13      -9.3584      2.00000
     14      -9.1505      2.00000
     15      -9.0379      2.00000
     16      -8.9597      2.00000
     17      -5.3527      2.00000
     18      -5.3084      2.00000
     19      -5.1645      2.00000
     20      -5.0377      2.00000
     21       2.8873      0.00000
     22       2.8969      0.00000
     23       3.0909      0.00000
     24       3.1781      0.00000
     25       3.6515      0.00000
     26       3.8585      0.00000
     27       4.0452      0.00000
     28       4.2010      0.00000

 k-point   439 :      -0.4783    0.3810    0.3333
  band No.  band energies     occupation 
      1     -23.4183      2.00000
      2     -23.1393      2.00000
      3     -22.2719      2.00000
      4     -22.0124      2.00000
      5     -15.6431      2.00000
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      7     -14.1740      2.00000
      8     -13.8884      2.00000
      9     -10.6437      2.00000
     10     -10.5627      2.00000
     11     -10.5111      2.00000
     12     -10.2039      2.00000
     13      -9.3572      2.00000
     14      -9.1516      2.00000
     15      -9.0371      2.00000
     16      -8.9606      2.00000
     17      -5.3510      2.00000
     18      -5.3100      2.00000
     19      -5.1659      2.00000
     20      -5.0363      2.00000
     21       2.8874      0.00000
     22       2.8968      0.00000
     23       3.0906      0.00000
     24       3.1783      0.00000
     25       3.6512      0.00000
     26       3.8588      0.00000
     27       4.0451      0.00000
     28       4.2006      0.00000

 k-point   440 :      -0.4348    0.3810    0.3333
  band No.  band energies     occupation 
      1     -23.6757      2.00000
      2     -22.8399      2.00000
      3     -22.5131      2.00000
      4     -21.7366      2.00000
      5     -15.8796      2.00000
      6     -15.1159      2.00000
      7     -14.4562      2.00000
      8     -13.5993      2.00000
      9     -10.9733      2.00000
     10     -10.8508      2.00000
     11     -10.4885      2.00000
     12      -9.9345      2.00000
     13      -9.4958      2.00000
     14      -9.0986      2.00000
     15      -8.9433      2.00000
     16      -8.8496      2.00000
     17      -5.3453      2.00000
     18      -5.2687      2.00000
     19      -5.2223      2.00000
     20      -4.8907      2.00000
     21       2.6183      0.00000
     22       2.6296      0.00000
     23       3.0606      0.00000
     24       3.4108      0.00000
     25       3.7383      0.00000
     26       3.8109      0.00000
     27       4.1231      0.00000
     28       4.1601      0.00000

 k-point   441 :      -0.3913    0.3810    0.3333
  band No.  band energies     occupation 
      1     -23.9106      2.00000
      2     -22.7344      2.00000
      3     -22.5217      2.00000
      4     -21.4468      2.00000
      5     -16.0960      2.00000
      6     -14.8289      2.00000
      7     -14.7362      2.00000
      8     -13.3092      2.00000
      9     -11.4060      2.00000
     10     -11.1243      2.00000
     11     -10.5891      2.00000
     12      -9.7837      2.00000
     13      -9.5197      2.00000
     14      -9.1518      2.00000
     15      -8.7713      2.00000
     16      -8.6873      2.00000
     17      -5.3413      2.00000
     18      -5.2945      2.00000
     19      -5.0987      2.00000
     20      -4.7366      2.00000
     21       2.3607      0.00000
     22       2.3829      0.00000
     23       2.9276      0.00000
     24       3.4117      0.00000
     25       3.6646      0.00000
     26       3.9402      0.00000
     27       3.9507      0.00000
     28       4.0071      0.00000

 k-point   442 :      -0.3478    0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.1222      2.00000
      2     -22.9349      2.00000
      3     -22.1866      2.00000
      4     -21.1465      2.00000
      5     -16.2910      2.00000
      6     -15.0168      2.00000
      7     -14.5297      2.00000
      8     -13.0254      2.00000
      9     -11.8335      2.00000
     10     -11.4620      2.00000
     11     -10.7535      2.00000
     12      -9.7404      2.00000
     13      -9.4675      2.00000
     14      -9.2016      2.00000
     15      -8.6501      2.00000
     16      -8.4863      2.00000
     17      -5.3833      2.00000
     18      -5.2062      2.00000
     19      -4.9529      2.00000
     20      -4.5817      2.00000
     21       2.1333      0.00000
     22       2.1558      0.00000
     23       2.8472      0.00000
     24       3.2210      0.00000
     25       3.5108      0.00000
     26       3.6677      0.00000
     27       3.8485      0.00000
     28       3.9969      0.00000

 k-point   443 :      -0.3043    0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.3101      2.00000
      2     -23.1134      2.00000
      3     -21.8376      2.00000
      4     -20.8401      2.00000
      5     -16.4635      2.00000
      6     -15.3017      2.00000
      7     -14.2217      2.00000
      8     -12.7822      2.00000
      9     -12.2061      2.00000
     10     -11.8478      2.00000
     11     -10.9245      2.00000
     12      -9.7638      2.00000
     13      -9.3991      2.00000
     14      -9.2519      2.00000
     15      -8.5793      2.00000
     16      -8.2811      2.00000
     17      -5.3985      2.00000
     18      -5.0912      2.00000
     19      -4.8005      2.00000
     20      -4.4314      2.00000
     21       1.9393      0.00000
     22       1.9500      0.00000
     23       2.8419      0.00000
     24       3.0482      0.00000
     25       3.3183      0.00000
     26       3.4109      0.00000
     27       3.6401      0.00000
     28       3.8365      0.00000

 k-point   444 :      -0.2609    0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.4737      2.00000
      2     -23.2694      2.00000
      3     -21.4785      2.00000
      4     -20.5337      2.00000
      5     -16.6127      2.00000
      6     -15.5946      2.00000
      7     -13.9095      2.00000
      8     -12.8058      2.00000
      9     -12.2855      2.00000
     10     -12.2563      2.00000
     11     -11.0828      2.00000
     12      -9.8197      2.00000
     13      -9.3500      2.00000
     14      -9.3038      2.00000
     15      -8.5482      2.00000
     16      -8.0992      2.00000
     17      -5.3927      2.00000
     18      -4.9618      2.00000
     19      -4.6551      2.00000
     20      -4.2892      2.00000
     21       1.7686      0.00000
     22       1.7776      0.00000
     23       2.8886      0.00000
     24       2.9250      0.00000
     25       3.1386      0.00000
     26       3.1980      0.00000
     27       3.4398      0.00000
     28       3.6459      0.00000

 k-point   445 :      -0.2174    0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.6127      2.00000
      2     -23.4022      2.00000
      3     -21.1156      2.00000
      4     -20.2353      2.00000
      5     -16.7376      2.00000
      6     -15.8971      2.00000
      7     -13.5993      2.00000
      8     -13.0903      2.00000
      9     -12.6622      2.00000
     10     -12.0696      2.00000
     11     -11.2257      2.00000
     12      -9.8884      2.00000
     13      -9.3554      2.00000
     14      -9.3385      2.00000
     15      -8.5413      2.00000
     16      -7.9545      2.00000
     17      -5.3715      2.00000
     18      -4.8309      2.00000
     19      -4.5255      2.00000
     20      -4.1576      2.00000
     21       1.6145      0.00000
     22       1.6440      0.00000
     23       2.8343      0.00000
     24       2.9333      0.00000
     25       2.9737      0.00000
     26       3.0592      0.00000
     27       3.2764      0.00000
     28       3.4797      0.00000

 k-point   446 :      -0.1739    0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.7268      2.00000
      2     -23.5114      2.00000
      3     -20.7580      2.00000
      4     -19.9561      2.00000
      5     -16.8378      2.00000
      6     -16.2056      2.00000
      7     -13.3649      2.00000
      8     -13.3037      2.00000
      9     -13.0388      2.00000
     10     -11.8265      2.00000
     11     -11.3542      2.00000
     12      -9.9593      2.00000
     13      -9.4032      2.00000
     14      -9.3693      2.00000
     15      -8.5441      2.00000
     16      -7.8510      2.00000
     17      -5.3404      2.00000
     18      -4.7103      2.00000
     19      -4.4151      2.00000
     20      -4.0403      2.00000
     21       1.4892      0.00000
     22       1.5349      0.00000
     23       2.7415      0.00000
     24       2.8243      0.00000
     25       2.9302      0.00000
     26       2.9912      0.00000
     27       3.1738      0.00000
     28       3.3512      0.00000

 k-point   447 :      -0.1304    0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.8158      2.00000
      2     -23.5967      2.00000
      3     -20.4211      2.00000
      4     -19.7102      2.00000
      5     -16.9131      2.00000
      6     -16.5073      2.00000
      7     -13.5851      2.00000
      8     -13.3877      2.00000
      9     -13.0100      2.00000
     10     -11.6052      2.00000
     11     -11.4700      2.00000
     12     -10.0260      2.00000
     13      -9.4444      2.00000
     14      -9.4325      2.00000
     15      -8.5481      2.00000
     16      -7.7861      2.00000
     17      -5.3050      2.00000
     18      -4.6100      2.00000
     19      -4.3245      2.00000
     20      -3.9418      2.00000
     21       1.3932      0.00000
     22       1.4488      0.00000
     23       2.6487      0.00000
     24       2.7128      0.00000
     25       2.8708      0.00000
     26       2.9307      0.00000
     27       3.1381      0.00000
     28       3.2747      0.00000

 k-point   448 :      -0.0870    0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.8794      2.00000
      2     -23.6577      2.00000
      3     -20.1300      2.00000
      4     -19.5150      2.00000
      5     -16.9642      2.00000
      6     -16.7764      2.00000
      7     -13.7428      2.00000
      8     -13.6498      2.00000
      9     -12.7714      2.00000
     10     -11.5728      2.00000
     11     -11.4257      2.00000
     12     -10.0828      2.00000
     13      -9.5069      2.00000
     14      -9.4756      2.00000
     15      -8.5509      2.00000
     16      -7.7517      2.00000
     17      -5.2723      2.00000
     18      -4.5364      2.00000
     19      -4.2551      2.00000
     20      -3.8670      2.00000
     21       1.3257      0.00000
     22       1.3862      0.00000
     23       2.5736      0.00000
     24       2.6355      0.00000
     25       2.8007      0.00000
     26       2.8704      0.00000
     27       3.1031      0.00000
     28       3.2562      0.00000

 k-point   449 :      -0.0435    0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.9177      2.00000
      2     -23.6945      2.00000
      3     -19.9233      2.00000
      4     -19.3882      2.00000
      5     -16.9932      2.00000
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      7     -13.8369      2.00000
      8     -13.8208      2.00000
      9     -12.5971      2.00000
     10     -11.6535      2.00000
     11     -11.3066      2.00000
     12     -10.1228      2.00000
     13      -9.5659      2.00000
     14      -9.4955      2.00000
     15      -8.5524      2.00000
     16      -7.7371      2.00000
     17      -5.2490      2.00000
     18      -4.4921      2.00000
     19      -4.2107      2.00000
     20      -3.8202      2.00000
     21       1.2859      0.00000
     22       1.3481      0.00000
     23       2.5259      0.00000
     24       2.5901      0.00000
     25       2.7495      0.00000
     26       2.8294      0.00000
     27       3.0688      0.00000
     28       3.2466      0.00000

 k-point   450 :       0.0000    0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.7263      2.00000
      2     -23.9896      2.00000
      3     -19.7177      2.00000
      4     -19.3887      2.00000
      5     -17.0302      2.00000
      6     -17.0288      2.00000
      7     -13.9743      2.00000
      8     -13.9703      2.00000
      9     -12.2281      2.00000
     10     -11.4567      2.00000
     11     -11.3668      2.00000
     12     -10.4028      2.00000
     13      -9.5271      2.00000
     14      -9.5157      2.00000
     15      -8.3585      2.00000
     16      -7.8427      2.00000
     17      -5.1428      2.00000
     18      -4.6595      2.00000
     19      -4.1745      2.00000
     20      -3.9255      2.00000
     21       1.4898      0.00000
     22       1.5699      0.00000
     23       2.4374      0.00000
     24       2.5761      0.00000
     25       2.8464      0.00000
     26       3.0315      0.00000
     27       3.2975      0.00000
     28       3.4090      0.00000

 k-point   451 :       0.0435    0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.7136      2.00000
      2     -23.9772      2.00000
      3     -19.7911      2.00000
      4     -19.4433      2.00000
      5     -17.0038      2.00000
      6     -16.9661      2.00000
      7     -13.9333      2.00000
      8     -13.9190      2.00000
      9     -12.2931      2.00000
     10     -11.5073      2.00000
     11     -11.3348      2.00000
     12     -10.3809      2.00000
     13      -9.5101      2.00000
     14      -9.5063      2.00000
     15      -8.3554      2.00000
     16      -7.8432      2.00000
     17      -5.1534      2.00000
     18      -4.6745      2.00000
     19      -4.1895      2.00000
     20      -3.9416      2.00000
     21       1.5034      0.00000
     22       1.5831      0.00000
     23       2.4492      0.00000
     24       2.5908      0.00000
     25       2.8637      0.00000
     26       3.0461      0.00000
     27       3.3078      0.00000
     28       3.4152      0.00000

 k-point   452 :       0.0870    0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.6756      2.00000
      2     -23.9401      2.00000
      3     -19.9903      2.00000
      4     -19.5967      2.00000
      5     -16.9340      2.00000
      6     -16.7962      2.00000
      7     -13.8223      2.00000
      8     -13.7589      2.00000
      9     -12.4637      2.00000
     10     -11.6462      2.00000
     11     -11.2565      2.00000
     12     -10.3245      2.00000
     13      -9.4823      2.00000
     14      -9.4627      2.00000
     15      -8.3476      2.00000
     16      -7.8485      2.00000
     17      -5.1839      2.00000
     18      -4.7185      2.00000
     19      -4.2335      2.00000
     20      -3.9887      2.00000
     21       1.5444      0.00000
     22       1.6222      0.00000
     23       2.4845      0.00000
     24       2.6321      0.00000
     25       2.9153      0.00000
     26       3.0872      0.00000
     27       3.3232      0.00000
     28       3.4257      0.00000

 k-point   453 :       0.1304    0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.6123      2.00000
      2     -23.8783      2.00000
      3     -20.2725      2.00000
      4     -19.8249      2.00000
      5     -16.8317      2.00000
      6     -16.5634      2.00000
      7     -13.6386      2.00000
      8     -13.5086      2.00000
      9     -12.6989      2.00000
     10     -11.8479      2.00000
     11     -11.1575      2.00000
     12     -10.2495      2.00000
     13      -9.4437      2.00000
     14      -9.4023      2.00000
     15      -8.3403      2.00000
     16      -7.8687      2.00000
     17      -5.2291      2.00000
     18      -4.7891      2.00000
     19      -4.3031      2.00000
     20      -4.0635      2.00000
     21       1.6135      0.00000
     22       1.6862      0.00000
     23       2.5419      0.00000
     24       2.6908      0.00000
     25       3.0004      0.00000
     26       3.1373      0.00000
     27       3.3082      0.00000
     28       3.4675      0.00000

 k-point   454 :       0.1739    0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.5238      2.00000
      2     -23.7920      2.00000
      3     -20.6007      2.00000
      4     -20.1024      2.00000
      5     -16.7066      2.00000
      6     -16.3041      2.00000
      7     -13.3869      2.00000
      8     -13.2024      2.00000
      9     -12.9547      2.00000
     10     -12.0889      2.00000
     11     -11.0483      2.00000
     12     -10.1665      2.00000
     13      -9.3957      2.00000
     14      -9.3450      2.00000
     15      -8.3415      2.00000
     16      -7.9159      2.00000
     17      -5.2823      2.00000
     18      -4.8823      2.00000
     19      -4.3946      2.00000
     20      -4.1618      2.00000
     21       1.7114      0.00000
     22       1.7733      0.00000
     23       2.6174      0.00000
     24       2.7484      0.00000
     25       3.1026      0.00000
     26       3.1545      0.00000
     27       3.3507      0.00000
     28       3.4974      0.00000

 k-point   455 :       0.2174    0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.4104      2.00000
      2     -23.6814      2.00000
      3     -20.9507      2.00000
      4     -20.4088      2.00000
      5     -16.5635      2.00000
      6     -16.0389      2.00000
      7     -13.2952      2.00000
      8     -13.0841      2.00000
      9     -12.7794      2.00000
     10     -12.3435      2.00000
     11     -10.9309      2.00000
     12     -10.0809      2.00000
     13      -9.3421      2.00000
     14      -9.3047      2.00000
     15      -8.3604      2.00000
     16      -8.0007      2.00000
     17      -5.3363      2.00000
     18      -4.9916      2.00000
     19      -4.5055      2.00000
     20      -4.2787      2.00000
     21       1.8384      0.00000
     22       1.8816      0.00000
     23       2.7036      0.00000
     24       2.7777      0.00000
     25       3.1165      0.00000
     26       3.2837      0.00000
     27       3.4515      0.00000
     28       3.5137      0.00000

 k-point   456 :       0.2609    0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.2722      2.00000
      2     -23.5469      2.00000
      3     -21.3071      2.00000
      4     -20.7293      2.00000
      5     -16.4037      2.00000
      6     -15.7764      2.00000
      7     -13.5971      2.00000
      8     -12.8502      2.00000
      9     -12.4914      2.00000
     10     -12.3708      2.00000
     11     -10.8054      2.00000
     12      -9.9974      2.00000
     13      -9.2910      2.00000
     14      -9.2870      2.00000
     15      -8.4061      2.00000
     16      -8.1289      2.00000
     17      -5.3844      2.00000
     18      -5.1081      2.00000
     19      -4.6343      2.00000
     20      -4.4102      2.00000
     21       1.9935      0.00000
     22       2.0108      0.00000
     23       2.7715      0.00000
     24       2.7982      0.00000
     25       3.1738      0.00000
     26       3.4600      0.00000
     27       3.5341      0.00000
     28       3.6687      0.00000

 k-point   457 :       0.3043    0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.1096      2.00000
      2     -23.3887      2.00000
      3     -21.6606      2.00000
      4     -21.0534      2.00000
      5     -16.2271      2.00000
      6     -15.5174      2.00000
      7     -13.9072      2.00000
      8     -13.0235      2.00000
      9     -12.2003      2.00000
     10     -11.9409      2.00000
     11     -10.6734      2.00000
     12      -9.9230      2.00000
     13      -9.3054      2.00000
     14      -9.2359      2.00000
     15      -8.4861      2.00000
     16      -8.2994      2.00000
     17      -5.4191      2.00000
     18      -5.2203      2.00000
     19      -4.7785      2.00000
     20      -4.5536      2.00000
     21       2.1646      0.00000
     22       2.1746      0.00000
     23       2.7708      0.00000
     24       2.9188      0.00000
     25       3.2993      0.00000
     26       3.6192      0.00000
     27       3.7197      0.00000
     28       3.8711      0.00000

 k-point   458 :       0.3478    0.4286    0.3333
  band No.  band energies     occupation 
      1     -23.9230      2.00000
      2     -23.2075      2.00000
      3     -22.0050      2.00000
      4     -21.3738      2.00000
      5     -16.0332      2.00000
      6     -15.2594      2.00000
      7     -14.2152      2.00000
      8     -13.3070      2.00000
      9     -11.7772      2.00000
     10     -11.5139      2.00000
     11     -10.5398      2.00000
     12      -9.8711      2.00000
     13      -9.3436      2.00000
     14      -9.1916      2.00000
     15      -8.6055      2.00000
     16      -8.5028      2.00000
     17      -5.4322      2.00000
     18      -5.3157      2.00000
     19      -4.9317      2.00000
     20      -4.7059      2.00000
     21       2.3497      0.00000
     22       2.3781      0.00000
     23       2.8253      0.00000
     24       3.0847      0.00000
     25       3.4612      0.00000
     26       3.7668      0.00000
     27       3.9721      0.00000
     28       4.0861      0.00000

 k-point   459 :       0.3913    0.4286    0.3333
  band No.  band energies     occupation 
      1     -23.7128      2.00000
      2     -23.0038      2.00000
      3     -22.3362      2.00000
      4     -21.6853      2.00000
      5     -15.8217      2.00000
      6     -14.9992      2.00000
      7     -14.5161      2.00000
      8     -13.6013      2.00000
      9     -11.3342      2.00000
     10     -11.1134      2.00000
     11     -10.4184      2.00000
     12      -9.8679      2.00000
     13      -9.3873      2.00000
     14      -9.1558      2.00000
     15      -8.7654      2.00000
     16      -8.7161      2.00000
     17      -5.4156      2.00000
     18      -5.3819      2.00000
     19      -5.0828      2.00000
     20      -4.8628      2.00000
     21       2.5709      0.00000
     22       2.6015      0.00000
     23       2.9570      0.00000
     24       3.2953      0.00000
     25       3.6018      0.00000
     26       3.8607      0.00000
     27       4.1992      0.00000
     28       4.2841      0.00000

 k-point   460 :       0.4348    0.4286    0.3333
  band No.  band energies     occupation 
      1     -23.4796      2.00000
      2     -22.7785      2.00000
      3     -22.6511      2.00000
      4     -21.9840      2.00000
      5     -15.5927      2.00000
      6     -14.8065      2.00000
      7     -14.7339      2.00000
      8     -13.8942      2.00000
      9     -10.9000      2.00000
     10     -10.7676      2.00000
     11     -10.3419      2.00000
     12      -9.9565      2.00000
     13      -9.3974      2.00000
     14      -9.1250      2.00000
     15      -8.9581      2.00000
     16      -8.8996      2.00000
     17      -5.4086      2.00000
     18      -5.3638      2.00000
     19      -5.2179      2.00000
     20      -5.0170      2.00000
     21       2.8250      0.00000
     22       2.8465      0.00000
     23       3.1483      0.00000
     24       3.4915      0.00000
     25       3.6485      0.00000
     26       3.7997      0.00000
     27       4.1858      0.00000
     28       4.1942      0.00000

 k-point   461 :       0.4783    0.4286    0.3333
  band No.  band energies     occupation 
      1     -23.2243      2.00000
      2     -22.9477      2.00000
      3     -22.5325      2.00000
      4     -22.2671      2.00000
      5     -15.3465      2.00000
      6     -15.0839      2.00000
      7     -14.4616      2.00000
      8     -14.1816      2.00000
      9     -10.5079      2.00000
     10     -10.5011      2.00000
     11     -10.3626      2.00000
     12     -10.1724      2.00000
     13      -9.3233      2.00000
     14      -9.1595      2.00000
     15      -9.0869      2.00000
     16      -9.0200      2.00000
     17      -5.3898      2.00000
     18      -5.3233      2.00000
     19      -5.2762      2.00000
     20      -5.1587      2.00000
     21       3.0991      0.00000
     22       3.1039      0.00000
     23       3.2735      0.00000
     24       3.3622      0.00000
     25       3.7001      0.00000
     26       3.8512      0.00000
     27       3.8871      0.00000
     28       4.0788      0.00000

 k-point   462 :      -0.4783    0.4286    0.3333
  band No.  band energies     occupation 
      1     -23.2243      2.00000
      2     -22.9477      2.00000
      3     -22.5325      2.00000
      4     -22.2671      2.00000
      5     -15.3463      2.00000
      6     -15.0841      2.00000
      7     -14.4616      2.00000
      8     -14.1816      2.00000
      9     -10.5092      2.00000
     10     -10.5009      2.00000
     11     -10.3611      2.00000
     12     -10.1727      2.00000
     13      -9.3226      2.00000
     14      -9.1603      2.00000
     15      -9.0858      2.00000
     16      -9.0210      2.00000
     17      -5.3882      2.00000
     18      -5.3248      2.00000
     19      -5.2776      2.00000
     20      -5.1573      2.00000
     21       3.0991      0.00000
     22       3.1040      0.00000
     23       3.2733      0.00000
     24       3.3622      0.00000
     25       3.6998      0.00000
     26       3.8509      0.00000
     27       3.8876      0.00000
     28       4.0790      0.00000

 k-point   463 :      -0.4348    0.4286    0.3333
  band No.  band energies     occupation 
      1     -23.4796      2.00000
      2     -22.7785      2.00000
      3     -22.6511      2.00000
      4     -21.9840      2.00000
      5     -15.5925      2.00000
      6     -14.8068      2.00000
      7     -14.7339      2.00000
      8     -13.8942      2.00000
      9     -10.8999      2.00000
     10     -10.7687      2.00000
     11     -10.3402      2.00000
     12      -9.9569      2.00000
     13      -9.3970      2.00000
     14      -9.1241      2.00000
     15      -8.9588      2.00000
     16      -8.9003      2.00000
     17      -5.4070      2.00000
     18      -5.3653      2.00000
     19      -5.2194      2.00000
     20      -5.0156      2.00000
     21       2.8251      0.00000
     22       2.8465      0.00000
     23       3.1479      0.00000
     24       3.4913      0.00000
     25       3.6485      0.00000
     26       3.7995      0.00000
     27       4.1861      0.00000
     28       4.1943      0.00000

 k-point   464 :      -0.3913    0.4286    0.3333
  band No.  band energies     occupation 
      1     -23.7128      2.00000
      2     -23.0038      2.00000
      3     -22.3362      2.00000
      4     -21.6853      2.00000
      5     -15.8215      2.00000
      6     -14.9992      2.00000
      7     -14.5164      2.00000
      8     -13.6013      2.00000
      9     -11.3341      2.00000
     10     -11.1142      2.00000
     11     -10.4168      2.00000
     12      -9.8683      2.00000
     13      -9.3872      2.00000
     14      -9.1552      2.00000
     15      -8.7659      2.00000
     16      -8.7166      2.00000
     17      -5.4172      2.00000
     18      -5.3803      2.00000
     19      -5.0841      2.00000
     20      -4.8616      2.00000
     21       2.5710      0.00000
     22       2.6014      0.00000
     23       2.9567      0.00000
     24       3.2949      0.00000
     25       3.6018      0.00000
     26       3.8606      0.00000
     27       4.1997      0.00000
     28       4.2842      0.00000

 k-point   465 :      -0.3478    0.4286    0.3333
  band No.  band energies     occupation 
      1     -23.9230      2.00000
      2     -23.2075      2.00000
      3     -22.0050      2.00000
      4     -21.3739      2.00000
      5     -16.0330      2.00000
      6     -15.2595      2.00000
      7     -14.2155      2.00000
      8     -13.3070      2.00000
      9     -11.7770      2.00000
     10     -11.5145      2.00000
     11     -10.5382      2.00000
     12      -9.8714      2.00000
     13      -9.3438      2.00000
     14      -9.1911      2.00000
     15      -8.6057      2.00000
     16      -8.5033      2.00000
     17      -5.4338      2.00000
     18      -5.3142      2.00000
     19      -4.9329      2.00000
     20      -4.7048      2.00000
     21       2.3499      0.00000
     22       2.3778      0.00000
     23       2.8250      0.00000
     24       3.0845      0.00000
     25       3.4611      0.00000
     26       3.7668      0.00000
     27       3.9721      0.00000
     28       4.0865      0.00000

 k-point   466 :      -0.3043    0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.1096      2.00000
      2     -23.3887      2.00000
      3     -21.6606      2.00000
      4     -21.0535      2.00000
      5     -16.2269      2.00000
      6     -15.5174      2.00000
      7     -13.9076      2.00000
      8     -13.0237      2.00000
      9     -12.2001      2.00000
     10     -11.9414      2.00000
     11     -10.6718      2.00000
     12      -9.9233      2.00000
     13      -9.3058      2.00000
     14      -9.2356      2.00000
     15      -8.4861      2.00000
     16      -8.2998      2.00000
     17      -5.4206      2.00000
     18      -5.2188      2.00000
     19      -4.7797      2.00000
     20      -4.5525      2.00000
     21       2.1648      0.00000
     22       2.1743      0.00000
     23       2.7705      0.00000
     24       2.9188      0.00000
     25       3.2991      0.00000
     26       3.6193      0.00000
     27       3.7197      0.00000
     28       3.8713      0.00000

 k-point   467 :      -0.2609    0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.2723      2.00000
      2     -23.5469      2.00000
      3     -21.3071      2.00000
      4     -20.7293      2.00000
      5     -16.4035      2.00000
      6     -15.7764      2.00000
      7     -13.5976      2.00000
      8     -12.8506      2.00000
      9     -12.4909      2.00000
     10     -12.3712      2.00000
     11     -10.8039      2.00000
     12      -9.9976      2.00000
     13      -9.2916      2.00000
     14      -9.2868      2.00000
     15      -8.4060      2.00000
     16      -8.1292      2.00000
     17      -5.3859      2.00000
     18      -5.1067      2.00000
     19      -4.6353      2.00000
     20      -4.4093      2.00000
     21       1.9932      0.00000
     22       2.0110      0.00000
     23       2.7712      0.00000
     24       2.7984      0.00000
     25       3.1734      0.00000
     26       3.4600      0.00000
     27       3.5342      0.00000
     28       3.6688      0.00000

 k-point   468 :      -0.2174    0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.4104      2.00000
      2     -23.6814      2.00000
      3     -20.9506      2.00000
      4     -20.4089      2.00000
      5     -16.5633      2.00000
      6     -16.0390      2.00000
      7     -13.2956      2.00000
      8     -13.0843      2.00000
      9     -12.7799      2.00000
     10     -12.3432      2.00000
     11     -10.9294      2.00000
     12     -10.0811      2.00000
     13      -9.3420      2.00000
     14      -9.3054      2.00000
     15      -8.3601      2.00000
     16      -8.0010      2.00000
     17      -5.3377      2.00000
     18      -4.9904      2.00000
     19      -4.5064      2.00000
     20      -4.2778      2.00000
     21       1.8381      0.00000
     22       1.8817      0.00000
     23       2.7039      0.00000
     24       2.7774      0.00000
     25       3.1162      0.00000
     26       3.2837      0.00000
     27       3.4516      0.00000
     28       3.5137      0.00000

 k-point   469 :      -0.1739    0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.5239      2.00000
      2     -23.7920      2.00000
      3     -20.6007      2.00000
      4     -20.1024      2.00000
      5     -16.7064      2.00000
      6     -16.3041      2.00000
      7     -13.3870      2.00000
      8     -13.2024      2.00000
      9     -12.9556      2.00000
     10     -12.0887      2.00000
     11     -11.0468      2.00000
     12     -10.1667      2.00000
     13      -9.3956      2.00000
     14      -9.3457      2.00000
     15      -8.3411      2.00000
     16      -7.9161      2.00000
     17      -5.2834      2.00000
     18      -4.8813      2.00000
     19      -4.3953      2.00000
     20      -4.1610      2.00000
     21       1.7112      0.00000
     22       1.7733      0.00000
     23       2.6177      0.00000
     24       2.7481      0.00000
     25       3.1024      0.00000
     26       3.1544      0.00000
     27       3.3507      0.00000
     28       3.4974      0.00000

 k-point   470 :      -0.1304    0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.6123      2.00000
      2     -23.8783      2.00000
      3     -20.2724      2.00000
      4     -19.8249      2.00000
      5     -16.8316      2.00000
      6     -16.5635      2.00000
      7     -13.6386      2.00000
      8     -13.5087      2.00000
      9     -12.6996      2.00000
     10     -11.8478      2.00000
     11     -11.1561      2.00000
     12     -10.2497      2.00000
     13      -9.4437      2.00000
     14      -9.4031      2.00000
     15      -8.3400      2.00000
     16      -7.8688      2.00000
     17      -5.2300      2.00000
     18      -4.7884      2.00000
     19      -4.3036      2.00000
     20      -4.0630      2.00000
     21       1.6133      0.00000
     22       1.6862      0.00000
     23       2.5421      0.00000
     24       2.6906      0.00000
     25       3.0004      0.00000
     26       3.1373      0.00000
     27       3.3078      0.00000
     28       3.4677      0.00000

 k-point   471 :      -0.0870    0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.6756      2.00000
      2     -23.9401      2.00000
      3     -19.9902      2.00000
      4     -19.5968      2.00000
      5     -16.9339      2.00000
      6     -16.7962      2.00000
      7     -13.8224      2.00000
      8     -13.7590      2.00000
      9     -12.4645      2.00000
     10     -11.6461      2.00000
     11     -11.2552      2.00000
     12     -10.3246      2.00000
     13      -9.4823      2.00000
     14      -9.4632      2.00000
     15      -8.3473      2.00000
     16      -7.8486      2.00000
     17      -5.1845      2.00000
     18      -4.7180      2.00000
     19      -4.2339      2.00000
     20      -3.9883      2.00000
     21       1.5442      0.00000
     22       1.6222      0.00000
     23       2.4847      0.00000
     24       2.6321      0.00000
     25       2.9153      0.00000
     26       3.0872      0.00000
     27       3.3227      0.00000
     28       3.4259      0.00000

 k-point   472 :      -0.0435    0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.7136      2.00000
      2     -23.9772      2.00000
      3     -19.7911      2.00000
      4     -19.4433      2.00000
      5     -17.0038      2.00000
      6     -16.9661      2.00000
      7     -13.9334      2.00000
      8     -13.9191      2.00000
      9     -12.2936      2.00000
     10     -11.5072      2.00000
     11     -11.3340      2.00000
     12     -10.3809      2.00000
     13      -9.5104      2.00000
     14      -9.5064      2.00000
     15      -8.3552      2.00000
     16      -7.8432      2.00000
     17      -5.1537      2.00000
     18      -4.6743      2.00000
     19      -4.1897      2.00000
     20      -3.9414      2.00000
     21       1.5033      0.00000
     22       1.5831      0.00000
     23       2.4493      0.00000
     24       2.5908      0.00000
     25       2.8637      0.00000
     26       3.0461      0.00000
     27       3.3076      0.00000
     28       3.4151      0.00000

 k-point   473 :       0.0000    0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.5008      2.00000
      2     -24.2548      2.00000
      3     -19.5908      2.00000
      4     -19.4765      2.00000
      5     -17.0315      2.00000
      6     -17.0274      2.00000
      7     -14.0243      2.00000
      8     -14.0230      2.00000
      9     -11.9449      2.00000
     10     -11.6857      2.00000
     11     -11.0372      2.00000
     12     -10.7106      2.00000
     13      -9.5088      2.00000
     14      -9.5045      2.00000
     15      -8.1655      2.00000
     16      -7.9893      2.00000
     17      -5.0064      2.00000
     18      -4.8409      2.00000
     19      -4.1188      2.00000
     20      -4.0333      2.00000
     21       1.6988      0.00000
     22       1.7578      0.00000
     23       2.2725      0.00000
     24       2.3574      0.00000
     25       3.1884      0.00000
     26       3.3544      0.00000
     27       3.4698      0.00000
     28       3.5416      0.00000

 k-point   474 :       0.0435    0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.4882      2.00000
      2     -24.2423      2.00000
      3     -19.6599      2.00000
      4     -19.5394      2.00000
      5     -16.9916      2.00000
      6     -16.9747      2.00000
      7     -13.9800      2.00000
      8     -13.9743      2.00000
      9     -12.0068      2.00000
     10     -11.7431      2.00000
     11     -11.0070      2.00000
     12     -10.6834      2.00000
     13      -9.4974      2.00000
     14      -9.4909      2.00000
     15      -8.1620      2.00000
     16      -7.9872      2.00000
     17      -5.0190      2.00000
     18      -4.8552      2.00000
     19      -4.1342      2.00000
     20      -4.0492      2.00000
     21       1.7128      0.00000
     22       1.7719      0.00000
     23       2.2839      0.00000
     24       2.3699      0.00000
     25       3.2056      0.00000
     26       3.3655      0.00000
     27       3.4710      0.00000
     28       3.5379      0.00000

 k-point   475 :       0.0870    0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.4504      2.00000
      2     -24.2048      2.00000
      3     -19.8485      2.00000
      4     -19.7132      2.00000
      5     -16.8845      2.00000
      6     -16.8342      2.00000
      7     -13.8513      2.00000
      8     -13.8288      2.00000
      9     -12.1709      2.00000
     10     -11.8969      2.00000
     11     -10.9326      2.00000
     12     -10.6158      2.00000
     13      -9.4664      2.00000
     14      -9.4536      2.00000
     15      -8.1544      2.00000
     16      -7.9846      2.00000
     17      -5.0556      2.00000
     18      -4.8965      2.00000
     19      -4.1792      2.00000
     20      -4.0956      2.00000
     21       1.7551      0.00000
     22       1.8138      0.00000
     23       2.3179      0.00000
     24       2.4057      0.00000
     25       3.2565      0.00000
     26       3.3802      0.00000
     27       3.4729      0.00000
     28       3.5191      0.00000

 k-point   476 :       0.1304    0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.3875      2.00000
      2     -24.1424      2.00000
      3     -20.1183      2.00000
      4     -19.9656      2.00000
      5     -16.7354      2.00000
      6     -16.6418      2.00000
      7     -13.6418      2.00000
      8     -13.5965      2.00000
      9     -12.3994      2.00000
     10     -12.1146      2.00000
     11     -10.8383      2.00000
     12     -10.5289      2.00000
     13      -9.4214      2.00000
     14      -9.4020      2.00000
     15      -8.1512      2.00000
     16      -7.9914      2.00000
     17      -5.1117      2.00000
     18      -4.9613      2.00000
     19      -4.2507      2.00000
     20      -4.1692      2.00000
     21       1.8260      0.00000
     22       1.8828      0.00000
     23       2.3724      0.00000
     24       2.4598      0.00000
     25       3.3144      0.00000
     26       3.3562      0.00000
     27       3.4476      0.00000
     28       3.5387      0.00000

 k-point   477 :       0.1739    0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.2996      2.00000
      2     -24.0553      2.00000
      3     -20.4348      2.00000
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      8     -13.2957      2.00000
      9     -12.6604      2.00000
     10     -12.3687      2.00000
     11     -10.7355      2.00000
     12     -10.4342      2.00000
     13      -9.3691      2.00000
     14      -9.3472      2.00000
     15      -8.1644      2.00000
     16      -8.0207      2.00000
     17      -5.1810      2.00000
     18      -5.0442      2.00000
     19      -4.3445      2.00000
     20      -4.2657      2.00000
     21       1.9259      0.00000
     22       1.9774      0.00000
     23       2.4426      0.00000
     24       2.5223      0.00000
     25       3.2398      0.00000
     26       3.3493      0.00000
     27       3.4787      0.00000
     28       3.6445      0.00000

 k-point   478 :       0.2174    0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.1870      2.00000
      2     -23.9436      2.00000
      3     -20.7745      2.00000
      4     -20.5917      2.00000
      5     -16.3812      2.00000
      6     -16.2030      2.00000
      7     -13.0588      2.00000
      8     -13.0471      2.00000
      9     -12.8211      2.00000
     10     -12.6196      2.00000
     11     -10.6272      2.00000
     12     -10.3362      2.00000
     13      -9.3160      2.00000
     14      -9.2989      2.00000
     15      -8.2058      2.00000
     16      -8.0844      2.00000
     17      -5.2567      2.00000
     18      -5.1387      2.00000
     19      -4.4573      2.00000
     20      -4.3809      2.00000
     21       2.0545      0.00000
     22       2.0946      0.00000
     23       2.5221      0.00000
     24       2.5778      0.00000
     25       3.1855      0.00000
     26       3.2931      0.00000
     27       3.6327      0.00000
     28       3.7893      0.00000

 k-point   479 :       0.2609    0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.0498      2.00000
      2     -23.8076      2.00000
      3     -21.1224      2.00000
      4     -20.9280      2.00000
      5     -16.1887      2.00000
      6     -15.9769      2.00000
      7     -13.2975      2.00000
      8     -13.0267      2.00000
      9     -12.5407      2.00000
     10     -12.4758      2.00000
     11     -10.5151      2.00000
     12     -10.2376      2.00000
     13      -9.2682      2.00000
     14      -9.2641      2.00000
     15      -8.2845      2.00000
     16      -8.1905      2.00000
     17      -5.3309      2.00000
     18      -5.2362      2.00000
     19      -4.5867      2.00000
     20      -4.5115      2.00000
     21       2.2108      0.00000
     22       2.2304      0.00000
     23       2.6106      0.00000
     24       2.6192      0.00000
     25       3.2044      0.00000
     26       3.3110      0.00000
     27       3.8245      0.00000
     28       3.9665      0.00000

 k-point   480 :       0.3043    0.4762    0.3333
  band No.  band energies     occupation 
      1     -23.8884      2.00000
      2     -23.6477      2.00000
      3     -21.4687      2.00000
      4     -21.2649      2.00000
      5     -15.9862      2.00000
      6     -15.7476      2.00000
      7     -13.5999      2.00000
      8     -13.3029      2.00000
      9     -12.1382      2.00000
     10     -12.0457      2.00000
     11     -10.4021      2.00000
     12     -10.1432      2.00000
     13      -9.2489      2.00000
     14      -9.2293      2.00000
     15      -8.4049      2.00000
     16      -8.3409      2.00000
     17      -5.3946      2.00000
     18      -5.3264      2.00000
     19      -4.7304      2.00000
     20      -4.6552      2.00000
     21       2.3823      0.00000
     22       2.3917      0.00000
     23       2.6714      0.00000
     24       2.7260      0.00000
     25       3.3021      0.00000
     26       3.4086      0.00000
     27       4.0509      0.00000
     28       4.1701      0.00000

 k-point   481 :       0.3478    0.4762    0.3333
  band No.  band energies     occupation 
      1     -23.7033      2.00000
      2     -23.4643      2.00000
      3     -21.8072      2.00000
      4     -21.5957      2.00000
      5     -15.7722      2.00000
      6     -15.5128      2.00000
      7     -13.9056      2.00000
      8     -13.6021      2.00000
      9     -11.6966      2.00000
     10     -11.6032      2.00000
     11     -10.2950      2.00000
     12     -10.0624      2.00000
     13      -9.2529      2.00000
     14      -9.2042      2.00000
     15      -8.5657      2.00000
     16      -8.5303      2.00000
     17      -5.4372      2.00000
     18      -5.3973      2.00000
     19      -4.8840      2.00000
     20      -4.8086      2.00000
     21       2.5576      0.00000
     22       2.5920      0.00000
     23       2.7760      0.00000
     24       2.8876      0.00000
     25       3.4515      0.00000
     26       3.5535      0.00000
     27       4.3060      0.00000
     28       4.3820      0.00000

 k-point   482 :       0.3913    0.4762    0.3333
  band No.  band energies     occupation 
      1     -23.4948      2.00000
      2     -23.2580      2.00000
      3     -22.1334      2.00000
      4     -21.9155      2.00000
      5     -15.5453      2.00000
      6     -15.2700      2.00000
      7     -14.2067      2.00000
      8     -13.9014      2.00000
      9     -11.2525      2.00000
     10     -11.1716      2.00000
     11     -10.2090      2.00000
     12     -10.0146      2.00000
     13      -9.2707      2.00000
     14      -9.1922      2.00000
     15      -8.7586      2.00000
     16      -8.7424      2.00000
     17      -5.4487      2.00000
     18      -5.4371      2.00000
     19      -5.0390      2.00000
     20      -4.9656      2.00000
     21       2.7696      0.00000
     22       2.8107      0.00000
     23       2.9523      0.00000
     24       3.0948      0.00000
     25       3.6045      0.00000
     26       3.6953      0.00000
     27       4.4271      0.00000
     28       4.5374      0.00000

 k-point   483 :       0.4348    0.4762    0.3333
  band No.  band energies     occupation 
      1     -23.2637      2.00000
      2     -23.0295      2.00000
      3     -22.4442      2.00000
      4     -22.2210      2.00000
      5     -15.3045      2.00000
      6     -15.0175      2.00000
      7     -14.4993      2.00000
      8     -14.1949      2.00000
      9     -10.8299      2.00000
     10     -10.7763      2.00000
     11     -10.1757      2.00000
     12     -10.0377      2.00000
     13      -9.2821      2.00000
     14      -9.1852      2.00000
     15      -8.9625      2.00000
     16      -8.9436      2.00000
     17      -5.4371      2.00000
     18      -5.4216      2.00000
     19      -5.1836      2.00000
     20      -5.1167      2.00000
     21       3.0218      0.00000
     22       3.0587      0.00000
     23       3.1803      0.00000
     24       3.3334      0.00000
     25       3.6768      0.00000
     26       3.7523      0.00000
     27       4.1983      0.00000
     28       4.2053      0.00000

 k-point   484 :       0.4783    0.4762    0.3333
  band No.  band energies     occupation 
      1     -23.0109      2.00000
      2     -22.7797      2.00000
      3     -22.7372      2.00000
      4     -22.5097      2.00000
      5     -15.0496      2.00000
      6     -14.7808      2.00000
      7     -14.7540      2.00000
      8     -14.4797      2.00000
      9     -10.4590      2.00000
     10     -10.4525      2.00000
     11     -10.2459      2.00000
     12     -10.1815      2.00000
     13      -9.2493      2.00000
     14      -9.1616      2.00000
     15      -9.1397      2.00000
     16      -9.0884      2.00000
     17      -5.3928      2.00000
     18      -5.3538      2.00000
     19      -5.3048      2.00000
     20      -5.2503      2.00000
     21       3.2945      0.00000
     22       3.3203      0.00000
     23       3.4014      0.00000
     24       3.5045      0.00000
     25       3.6633      0.00000
     26       3.6882      0.00000
     27       3.8499      0.00000
     28       3.9143      0.00000

 k-point   485 :      -0.4783    0.4762    0.3333
  band No.  band energies     occupation 
      1     -23.0109      2.00000
      2     -22.7796      2.00000
      3     -22.7372      2.00000
      4     -22.5097      2.00000
      5     -15.0495      2.00000
      6     -14.7810      2.00000
      7     -14.7541      2.00000
      8     -14.4796      2.00000
      9     -10.4585      2.00000
     10     -10.4535      2.00000
     11     -10.2446      2.00000
     12     -10.1822      2.00000
     13      -9.2493      2.00000
     14      -9.1608      2.00000
     15      -9.1399      2.00000
     16      -9.0891      2.00000
     17      -5.3913      2.00000
     18      -5.3553      2.00000
     19      -5.3063      2.00000
     20      -5.2489      2.00000
     21       3.2949      0.00000
     22       3.3201      0.00000
     23       3.4017      0.00000
     24       3.5040      0.00000
     25       3.6633      0.00000
     26       3.6879      0.00000
     27       3.8501      0.00000
     28       3.9145      0.00000

 k-point   486 :      -0.4348    0.4762    0.3333
  band No.  band energies     occupation 
      1     -23.2638      2.00000
      2     -23.0294      2.00000
      3     -22.4442      2.00000
      4     -22.2210      2.00000
      5     -15.3044      2.00000
      6     -15.0175      2.00000
      7     -14.4995      2.00000
      8     -14.1948      2.00000
      9     -10.8295      2.00000
     10     -10.7770      2.00000
     11     -10.1744      2.00000
     12     -10.0386      2.00000
     13      -9.2823      2.00000
     14      -9.1844      2.00000
     15      -8.9627      2.00000
     16      -8.9440      2.00000
     17      -5.4355      2.00000
     18      -5.4231      2.00000
     19      -5.1850      2.00000
     20      -5.1153      2.00000
     21       3.0222      0.00000
     22       3.0585      0.00000
     23       3.1803      0.00000
     24       3.3328      0.00000
     25       3.6771      0.00000
     26       3.7521      0.00000
     27       4.1983      0.00000
     28       4.2055      0.00000

 k-point   487 :      -0.3913    0.4762    0.3333
  band No.  band energies     occupation 
      1     -23.4948      2.00000
      2     -23.2580      2.00000
      3     -22.1334      2.00000
      4     -21.9155      2.00000
      5     -15.5452      2.00000
      6     -15.2701      2.00000
      7     -14.2069      2.00000
      8     -13.9013      2.00000
      9     -11.2522      2.00000
     10     -11.1722      2.00000
     11     -10.2077      2.00000
     12     -10.0155      2.00000
     13      -9.2710      2.00000
     14      -9.1916      2.00000
     15      -8.7587      2.00000
     16      -8.7427      2.00000
     17      -5.4503      2.00000
     18      -5.4355      2.00000
     19      -5.0403      2.00000
     20      -4.9643      2.00000
     21       2.7700      0.00000
     22       2.8103      0.00000
     23       2.9523      0.00000
     24       3.0943      0.00000
     25       3.6047      0.00000
     26       3.6952      0.00000
     27       4.4275      0.00000
     28       4.5372      0.00000

 k-point   488 :      -0.3478    0.4762    0.3333
  band No.  band energies     occupation 
      1     -23.7033      2.00000
      2     -23.4643      2.00000
      3     -21.8072      2.00000
      4     -21.5957      2.00000
      5     -15.7721      2.00000
      6     -15.5129      2.00000
      7     -13.9058      2.00000
      8     -13.6020      2.00000
      9     -11.6963      2.00000
     10     -11.6037      2.00000
     11     -10.2937      2.00000
     12     -10.0632      2.00000
     13      -9.2534      2.00000
     14      -9.2036      2.00000
     15      -8.5657      2.00000
     16      -8.5305      2.00000
     17      -5.4388      2.00000
     18      -5.3957      2.00000
     19      -4.8852      2.00000
     20      -4.8074      2.00000
     21       2.5580      0.00000
     22       2.5916      0.00000
     23       2.7759      0.00000
     24       2.8873      0.00000
     25       3.4516      0.00000
     26       3.5534      0.00000
     27       4.3060      0.00000
     28       4.3820      0.00000

 k-point   489 :      -0.3043    0.4762    0.3333
  band No.  band energies     occupation 
      1     -23.8884      2.00000
      2     -23.6476      2.00000
      3     -21.4687      2.00000
      4     -21.2650      2.00000
      5     -15.9861      2.00000
      6     -15.7477      2.00000
      7     -13.6002      2.00000
      8     -13.3029      2.00000
      9     -12.1379      2.00000
     10     -12.0460      2.00000
     11     -10.4008      2.00000
     12     -10.1440      2.00000
     13      -9.2495      2.00000
     14      -9.2288      2.00000
     15      -8.4047      2.00000
     16      -8.3412      2.00000
     17      -5.3961      2.00000
     18      -5.3248      2.00000
     19      -4.7315      2.00000
     20      -4.6541      2.00000
     21       2.3827      0.00000
     22       2.3914      0.00000
     23       2.6713      0.00000
     24       2.7259      0.00000
     25       3.3021      0.00000
     26       3.4086      0.00000
     27       4.0509      0.00000
     28       4.1701      0.00000

 k-point   490 :      -0.2609    0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.0498      2.00000
      2     -23.8076      2.00000
      3     -21.1224      2.00000
      4     -20.9281      2.00000
      5     -16.1886      2.00000
      6     -15.9770      2.00000
      7     -13.2977      2.00000
      8     -13.0268      2.00000
      9     -12.5403      2.00000
     10     -12.4761      2.00000
     11     -10.5139      2.00000
     12     -10.2384      2.00000
     13      -9.2679      2.00000
     14      -9.2646      2.00000
     15      -8.2843      2.00000
     16      -8.1908      2.00000
     17      -5.3324      2.00000
     18      -5.2348      2.00000
     19      -4.5877      2.00000
     20      -4.5105      2.00000
     21       2.2104      0.00000
     22       2.2306      0.00000
     23       2.6108      0.00000
     24       2.6189      0.00000
     25       3.2043      0.00000
     26       3.3110      0.00000
     27       3.8245      0.00000
     28       3.9664      0.00000

 k-point   491 :      -0.2174    0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.1870      2.00000
      2     -23.9436      2.00000
      3     -20.7745      2.00000
      4     -20.5918      2.00000
      5     -16.3811      2.00000
      6     -16.2031      2.00000
      7     -13.0587      2.00000
      8     -13.0473      2.00000
      9     -12.8218      2.00000
     10     -12.6191      2.00000
     11     -10.6260      2.00000
     12     -10.3370      2.00000
     13      -9.3156      2.00000
     14      -9.2996      2.00000
     15      -8.2056      2.00000
     16      -8.0847      2.00000
     17      -5.2580      2.00000
     18      -5.1374      2.00000
     19      -4.4582      2.00000
     20      -4.3800      2.00000
     21       2.0542      0.00000
     22       2.0948      0.00000
     23       2.5224      0.00000
     24       2.5775      0.00000
     25       3.1855      0.00000
     26       3.2931      0.00000
     27       3.6327      0.00000
     28       3.7892      0.00000

 k-point   492 :      -0.1739    0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.2996      2.00000
      2     -24.0553      2.00000
      3     -20.4348      2.00000
      4     -20.2660      2.00000
      5     -16.5643      2.00000
      6     -16.4264      2.00000
      7     -13.3622      2.00000
      8     -13.2957      2.00000
      9     -12.6610      2.00000
     10     -12.3683      2.00000
     11     -10.7343      2.00000
     12     -10.4350      2.00000
     13      -9.3687      2.00000
     14      -9.3478      2.00000
     15      -8.1641      2.00000
     16      -8.0209      2.00000
     17      -5.1821      2.00000
     18      -5.0432      2.00000
     19      -4.3452      2.00000
     20      -4.2650      2.00000
     21       1.9256      0.00000
     22       1.9775      0.00000
     23       2.4429      0.00000
     24       2.5220      0.00000
     25       3.2397      0.00000
     26       3.3493      0.00000
     27       3.4787      0.00000
     28       3.6446      0.00000

 k-point   493 :      -0.1304    0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.3875      2.00000
      2     -24.1424      2.00000
      3     -20.1182      2.00000
      4     -19.9657      2.00000
      5     -16.7353      2.00000
      6     -16.6418      2.00000
      7     -13.6418      2.00000
      8     -13.5965      2.00000
      9     -12.3999      2.00000
     10     -12.1143      2.00000
     11     -10.8372      2.00000
     12     -10.5296      2.00000
     13      -9.4210      2.00000
     14      -9.4025      2.00000
     15      -8.1510      2.00000
     16      -7.9916      2.00000
     17      -5.1125      2.00000
     18      -4.9605      2.00000
     19      -4.2512      2.00000
     20      -4.1686      2.00000
     21       1.8258      0.00000
     22       1.8829      0.00000
     23       2.3727      0.00000
     24       2.4596      0.00000
     25       3.3142      0.00000
     26       3.3564      0.00000
     27       3.4472      0.00000
     28       3.5390      0.00000

 k-point   494 :      -0.0870    0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.4504      2.00000
      2     -24.2048      2.00000
      3     -19.8485      2.00000
      4     -19.7132      2.00000
      5     -16.8844      2.00000
      6     -16.8343      2.00000
      7     -13.8513      2.00000
      8     -13.8288      2.00000
      9     -12.1714      2.00000
     10     -11.8966      2.00000
     11     -10.9317      2.00000
     12     -10.6164      2.00000
     13      -9.4662      2.00000
     14      -9.4540      2.00000
     15      -8.1542      2.00000
     16      -7.9847      2.00000
     17      -5.0562      2.00000
     18      -4.8960      2.00000
     19      -4.1796      2.00000
     20      -4.0952      2.00000
     21       1.7550      0.00000
     22       1.8138      0.00000
     23       2.3182      0.00000
     24       2.4056      0.00000
     25       3.2564      0.00000
     26       3.3802      0.00000
     27       3.4719      0.00000
     28       3.5196      0.00000

 k-point   495 :      -0.0435    0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.4882      2.00000
      2     -24.2423      2.00000
      3     -19.6599      2.00000
      4     -19.5394      2.00000
      5     -16.9915      2.00000
      6     -16.9747      2.00000
      7     -13.9800      2.00000
      8     -13.9744      2.00000
      9     -12.0071      2.00000
     10     -11.7428      2.00000
     11     -11.0064      2.00000
     12     -10.6838      2.00000
     13      -9.4973      2.00000
     14      -9.4911      2.00000
     15      -8.1619      2.00000
     16      -7.9873      2.00000
     17      -5.0193      2.00000
     18      -4.8549      2.00000
     19      -4.1344      2.00000
     20      -4.0490      2.00000
     21       1.7128      0.00000
     22       1.7719      0.00000
     23       2.2841      0.00000
     24       2.3698      0.00000
     25       3.2056      0.00000
     26       3.3655      0.00000
     27       3.4707      0.00000
     28       3.5385      0.00000

 k-point   496 :       0.0000   -0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.5008      2.00000
      2     -24.2548      2.00000
      3     -19.5908      2.00000
      4     -19.4765      2.00000
      5     -17.0315      2.00000
      6     -17.0274      2.00000
      7     -14.0243      2.00000
      8     -14.0230      2.00000
      9     -11.9449      2.00000
     10     -11.6857      2.00000
     11     -11.0372      2.00000
     12     -10.7106      2.00000
     13      -9.5088      2.00000
     14      -9.5045      2.00000
     15      -8.1655      2.00000
     16      -7.9893      2.00000
     17      -5.0064      2.00000
     18      -4.8409      2.00000
     19      -4.1188      2.00000
     20      -4.0333      2.00000
     21       1.6988      0.00000
     22       1.7578      0.00000
     23       2.2725      0.00000
     24       2.3574      0.00000
     25       3.1884      0.00000
     26       3.3543      0.00000
     27       3.4696      0.00000
     28       3.5430      0.00000

 k-point   497 :       0.0435   -0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.4882      2.00000
      2     -24.2423      2.00000
      3     -19.6599      2.00000
      4     -19.5394      2.00000
      5     -16.9915      2.00000
      6     -16.9747      2.00000
      7     -13.9800      2.00000
      8     -13.9744      2.00000
      9     -12.0071      2.00000
     10     -11.7428      2.00000
     11     -11.0064      2.00000
     12     -10.6838      2.00000
     13      -9.4973      2.00000
     14      -9.4911      2.00000
     15      -8.1619      2.00000
     16      -7.9873      2.00000
     17      -5.0193      2.00000
     18      -4.8549      2.00000
     19      -4.1344      2.00000
     20      -4.0490      2.00000
     21       1.7128      0.00000
     22       1.7719      0.00000
     23       2.2841      0.00000
     24       2.3698      0.00000
     25       3.2056      0.00000
     26       3.3654      0.00000
     27       3.4709      0.00000
     28       3.5384      0.00000

 k-point   498 :       0.0870   -0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.4504      2.00000
      2     -24.2048      2.00000
      3     -19.8485      2.00000
      4     -19.7132      2.00000
      5     -16.8844      2.00000
      6     -16.8343      2.00000
      7     -13.8513      2.00000
      8     -13.8288      2.00000
      9     -12.1714      2.00000
     10     -11.8966      2.00000
     11     -10.9317      2.00000
     12     -10.6164      2.00000
     13      -9.4662      2.00000
     14      -9.4540      2.00000
     15      -8.1542      2.00000
     16      -7.9847      2.00000
     17      -5.0562      2.00000
     18      -4.8960      2.00000
     19      -4.1796      2.00000
     20      -4.0952      2.00000
     21       1.7550      0.00000
     22       1.8138      0.00000
     23       2.3182      0.00000
     24       2.4056      0.00000
     25       3.2565      0.00000
     26       3.3800      0.00000
     27       3.4726      0.00000
     28       3.5189      0.00000

 k-point   499 :       0.1304   -0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.3875      2.00000
      2     -24.1424      2.00000
      3     -20.1182      2.00000
      4     -19.9657      2.00000
      5     -16.7353      2.00000
      6     -16.6418      2.00000
      7     -13.6418      2.00000
      8     -13.5965      2.00000
      9     -12.3999      2.00000
     10     -12.1143      2.00000
     11     -10.8372      2.00000
     12     -10.5296      2.00000
     13      -9.4210      2.00000
     14      -9.4025      2.00000
     15      -8.1510      2.00000
     16      -7.9916      2.00000
     17      -5.1125      2.00000
     18      -4.9605      2.00000
     19      -4.2512      2.00000
     20      -4.1686      2.00000
     21       1.8258      0.00000
     22       1.8829      0.00000
     23       2.3727      0.00000
     24       2.4596      0.00000
     25       3.3144      0.00000
     26       3.3560      0.00000
     27       3.4477      0.00000
     28       3.5387      0.00000

 k-point   500 :       0.1739   -0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.2996      2.00000
      2     -24.0553      2.00000
      3     -20.4348      2.00000
      4     -20.2660      2.00000
      5     -16.5643      2.00000
      6     -16.4264      2.00000
      7     -13.3622      2.00000
      8     -13.2957      2.00000
      9     -12.6610      2.00000
     10     -12.3683      2.00000
     11     -10.7343      2.00000
     12     -10.4350      2.00000
     13      -9.3687      2.00000
     14      -9.3478      2.00000
     15      -8.1641      2.00000
     16      -8.0209      2.00000
     17      -5.1821      2.00000
     18      -5.0432      2.00000
     19      -4.3452      2.00000
     20      -4.2650      2.00000
     21       1.9256      0.00000
     22       1.9775      0.00000
     23       2.4429      0.00000
     24       2.5220      0.00000
     25       3.2397      0.00000
     26       3.3493      0.00000
     27       3.4788      0.00000
     28       3.6445      0.00000

 k-point   501 :       0.2174   -0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.1870      2.00000
      2     -23.9436      2.00000
      3     -20.7745      2.00000
      4     -20.5918      2.00000
      5     -16.3811      2.00000
      6     -16.2031      2.00000
      7     -13.0587      2.00000
      8     -13.0473      2.00000
      9     -12.8218      2.00000
     10     -12.6191      2.00000
     11     -10.6260      2.00000
     12     -10.3370      2.00000
     13      -9.3156      2.00000
     14      -9.2996      2.00000
     15      -8.2056      2.00000
     16      -8.0847      2.00000
     17      -5.2580      2.00000
     18      -5.1374      2.00000
     19      -4.4582      2.00000
     20      -4.3800      2.00000
     21       2.0542      0.00000
     22       2.0948      0.00000
     23       2.5224      0.00000
     24       2.5775      0.00000
     25       3.1855      0.00000
     26       3.2931      0.00000
     27       3.6327      0.00000
     28       3.7892      0.00000

 k-point   502 :       0.2609   -0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.0498      2.00000
      2     -23.8076      2.00000
      3     -21.1224      2.00000
      4     -20.9281      2.00000
      5     -16.1886      2.00000
      6     -15.9770      2.00000
      7     -13.2977      2.00000
      8     -13.0268      2.00000
      9     -12.5403      2.00000
     10     -12.4761      2.00000
     11     -10.5139      2.00000
     12     -10.2384      2.00000
     13      -9.2679      2.00000
     14      -9.2646      2.00000
     15      -8.2843      2.00000
     16      -8.1908      2.00000
     17      -5.3324      2.00000
     18      -5.2348      2.00000
     19      -4.5877      2.00000
     20      -4.5105      2.00000
     21       2.2104      0.00000
     22       2.2306      0.00000
     23       2.6108      0.00000
     24       2.6189      0.00000
     25       3.2043      0.00000
     26       3.3110      0.00000
     27       3.8245      0.00000
     28       3.9664      0.00000

 k-point   503 :       0.3043   -0.4762    0.3333
  band No.  band energies     occupation 
      1     -23.8884      2.00000
      2     -23.6476      2.00000
      3     -21.4687      2.00000
      4     -21.2650      2.00000
      5     -15.9861      2.00000
      6     -15.7477      2.00000
      7     -13.6002      2.00000
      8     -13.3029      2.00000
      9     -12.1379      2.00000
     10     -12.0460      2.00000
     11     -10.4008      2.00000
     12     -10.1440      2.00000
     13      -9.2495      2.00000
     14      -9.2288      2.00000
     15      -8.4047      2.00000
     16      -8.3412      2.00000
     17      -5.3961      2.00000
     18      -5.3248      2.00000
     19      -4.7315      2.00000
     20      -4.6541      2.00000
     21       2.3827      0.00000
     22       2.3914      0.00000
     23       2.6713      0.00000
     24       2.7259      0.00000
     25       3.3021      0.00000
     26       3.4086      0.00000
     27       4.0509      0.00000
     28       4.1701      0.00000

 k-point   504 :       0.3478   -0.4762    0.3333
  band No.  band energies     occupation 
      1     -23.7033      2.00000
      2     -23.4643      2.00000
      3     -21.8072      2.00000
      4     -21.5957      2.00000
      5     -15.7721      2.00000
      6     -15.5129      2.00000
      7     -13.9058      2.00000
      8     -13.6020      2.00000
      9     -11.6963      2.00000
     10     -11.6037      2.00000
     11     -10.2937      2.00000
     12     -10.0632      2.00000
     13      -9.2534      2.00000
     14      -9.2036      2.00000
     15      -8.5657      2.00000
     16      -8.5305      2.00000
     17      -5.4388      2.00000
     18      -5.3957      2.00000
     19      -4.8852      2.00000
     20      -4.8074      2.00000
     21       2.5580      0.00000
     22       2.5916      0.00000
     23       2.7759      0.00000
     24       2.8873      0.00000
     25       3.4516      0.00000
     26       3.5534      0.00000
     27       4.3060      0.00000
     28       4.3821      0.00000

 k-point   505 :       0.3913   -0.4762    0.3333
  band No.  band energies     occupation 
      1     -23.4948      2.00000
      2     -23.2580      2.00000
      3     -22.1334      2.00000
      4     -21.9155      2.00000
      5     -15.5452      2.00000
      6     -15.2701      2.00000
      7     -14.2069      2.00000
      8     -13.9013      2.00000
      9     -11.2522      2.00000
     10     -11.1722      2.00000
     11     -10.2077      2.00000
     12     -10.0155      2.00000
     13      -9.2710      2.00000
     14      -9.1916      2.00000
     15      -8.7587      2.00000
     16      -8.7427      2.00000
     17      -5.4503      2.00000
     18      -5.4355      2.00000
     19      -5.0403      2.00000
     20      -4.9643      2.00000
     21       2.7700      0.00000
     22       2.8103      0.00000
     23       2.9523      0.00000
     24       3.0943      0.00000
     25       3.6047      0.00000
     26       3.6952      0.00000
     27       4.4275      0.00000
     28       4.5372      0.00000

 k-point   506 :       0.4348   -0.4762    0.3333
  band No.  band energies     occupation 
      1     -23.2638      2.00000
      2     -23.0294      2.00000
      3     -22.4442      2.00000
      4     -22.2210      2.00000
      5     -15.3044      2.00000
      6     -15.0175      2.00000
      7     -14.4995      2.00000
      8     -14.1948      2.00000
      9     -10.8295      2.00000
     10     -10.7770      2.00000
     11     -10.1744      2.00000
     12     -10.0386      2.00000
     13      -9.2823      2.00000
     14      -9.1844      2.00000
     15      -8.9627      2.00000
     16      -8.9440      2.00000
     17      -5.4355      2.00000
     18      -5.4231      2.00000
     19      -5.1850      2.00000
     20      -5.1153      2.00000
     21       3.0222      0.00000
     22       3.0585      0.00000
     23       3.1803      0.00000
     24       3.3328      0.00000
     25       3.6771      0.00000
     26       3.7521      0.00000
     27       4.1983      0.00000
     28       4.2055      0.00000

 k-point   507 :       0.4783   -0.4762    0.3333
  band No.  band energies     occupation 
      1     -23.0109      2.00000
      2     -22.7796      2.00000
      3     -22.7372      2.00000
      4     -22.5097      2.00000
      5     -15.0495      2.00000
      6     -14.7810      2.00000
      7     -14.7541      2.00000
      8     -14.4796      2.00000
      9     -10.4585      2.00000
     10     -10.4535      2.00000
     11     -10.2446      2.00000
     12     -10.1822      2.00000
     13      -9.2493      2.00000
     14      -9.1608      2.00000
     15      -9.1399      2.00000
     16      -9.0891      2.00000
     17      -5.3913      2.00000
     18      -5.3553      2.00000
     19      -5.3063      2.00000
     20      -5.2489      2.00000
     21       3.2949      0.00000
     22       3.3201      0.00000
     23       3.4017      0.00000
     24       3.5040      0.00000
     25       3.6633      0.00000
     26       3.6879      0.00000
     27       3.8501      0.00000
     28       3.9145      0.00000

 k-point   508 :      -0.4783   -0.4762    0.3333
  band No.  band energies     occupation 
      1     -23.0109      2.00000
      2     -22.7797      2.00000
      3     -22.7372      2.00000
      4     -22.5097      2.00000
      5     -15.0496      2.00000
      6     -14.7808      2.00000
      7     -14.7540      2.00000
      8     -14.4797      2.00000
      9     -10.4590      2.00000
     10     -10.4525      2.00000
     11     -10.2459      2.00000
     12     -10.1815      2.00000
     13      -9.2493      2.00000
     14      -9.1616      2.00000
     15      -9.1397      2.00000
     16      -9.0884      2.00000
     17      -5.3928      2.00000
     18      -5.3538      2.00000
     19      -5.3048      2.00000
     20      -5.2503      2.00000
     21       3.2945      0.00000
     22       3.3203      0.00000
     23       3.4014      0.00000
     24       3.5045      0.00000
     25       3.6633      0.00000
     26       3.6882      0.00000
     27       3.8499      0.00000
     28       3.9143      0.00000

 k-point   509 :      -0.4348   -0.4762    0.3333
  band No.  band energies     occupation 
      1     -23.2637      2.00000
      2     -23.0295      2.00000
      3     -22.4442      2.00000
      4     -22.2210      2.00000
      5     -15.3045      2.00000
      6     -15.0175      2.00000
      7     -14.4993      2.00000
      8     -14.1949      2.00000
      9     -10.8299      2.00000
     10     -10.7763      2.00000
     11     -10.1757      2.00000
     12     -10.0377      2.00000
     13      -9.2821      2.00000
     14      -9.1852      2.00000
     15      -8.9625      2.00000
     16      -8.9436      2.00000
     17      -5.4371      2.00000
     18      -5.4216      2.00000
     19      -5.1836      2.00000
     20      -5.1167      2.00000
     21       3.0218      0.00000
     22       3.0587      0.00000
     23       3.1803      0.00000
     24       3.3334      0.00000
     25       3.6768      0.00000
     26       3.7523      0.00000
     27       4.1983      0.00000
     28       4.2053      0.00000

 k-point   510 :      -0.3913   -0.4762    0.3333
  band No.  band energies     occupation 
      1     -23.4948      2.00000
      2     -23.2580      2.00000
      3     -22.1334      2.00000
      4     -21.9155      2.00000
      5     -15.5453      2.00000
      6     -15.2700      2.00000
      7     -14.2067      2.00000
      8     -13.9014      2.00000
      9     -11.2525      2.00000
     10     -11.1716      2.00000
     11     -10.2090      2.00000
     12     -10.0146      2.00000
     13      -9.2707      2.00000
     14      -9.1922      2.00000
     15      -8.7586      2.00000
     16      -8.7424      2.00000
     17      -5.4487      2.00000
     18      -5.4371      2.00000
     19      -5.0390      2.00000
     20      -4.9656      2.00000
     21       2.7696      0.00000
     22       2.8107      0.00000
     23       2.9523      0.00000
     24       3.0948      0.00000
     25       3.6045      0.00000
     26       3.6953      0.00000
     27       4.4271      0.00000
     28       4.5375      0.00000

 k-point   511 :      -0.3478   -0.4762    0.3333
  band No.  band energies     occupation 
      1     -23.7033      2.00000
      2     -23.4643      2.00000
      3     -21.8072      2.00000
      4     -21.5957      2.00000
      5     -15.7722      2.00000
      6     -15.5128      2.00000
      7     -13.9056      2.00000
      8     -13.6021      2.00000
      9     -11.6966      2.00000
     10     -11.6032      2.00000
     11     -10.2950      2.00000
     12     -10.0624      2.00000
     13      -9.2529      2.00000
     14      -9.2042      2.00000
     15      -8.5657      2.00000
     16      -8.5303      2.00000
     17      -5.4372      2.00000
     18      -5.3973      2.00000
     19      -4.8840      2.00000
     20      -4.8086      2.00000
     21       2.5576      0.00000
     22       2.5920      0.00000
     23       2.7760      0.00000
     24       2.8876      0.00000
     25       3.4515      0.00000
     26       3.5535      0.00000
     27       4.3060      0.00000
     28       4.3819      0.00000

 k-point   512 :      -0.3043   -0.4762    0.3333
  band No.  band energies     occupation 
      1     -23.8884      2.00000
      2     -23.6477      2.00000
      3     -21.4687      2.00000
      4     -21.2649      2.00000
      5     -15.9862      2.00000
      6     -15.7476      2.00000
      7     -13.5999      2.00000
      8     -13.3029      2.00000
      9     -12.1382      2.00000
     10     -12.0457      2.00000
     11     -10.4021      2.00000
     12     -10.1432      2.00000
     13      -9.2489      2.00000
     14      -9.2293      2.00000
     15      -8.4049      2.00000
     16      -8.3409      2.00000
     17      -5.3946      2.00000
     18      -5.3264      2.00000
     19      -4.7304      2.00000
     20      -4.6552      2.00000
     21       2.3823      0.00000
     22       2.3917      0.00000
     23       2.6714      0.00000
     24       2.7260      0.00000
     25       3.3021      0.00000
     26       3.4086      0.00000
     27       4.0509      0.00000
     28       4.1701      0.00000

 k-point   513 :      -0.2609   -0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.0498      2.00000
      2     -23.8076      2.00000
      3     -21.1224      2.00000
      4     -20.9280      2.00000
      5     -16.1887      2.00000
      6     -15.9769      2.00000
      7     -13.2975      2.00000
      8     -13.0267      2.00000
      9     -12.5407      2.00000
     10     -12.4758      2.00000
     11     -10.5151      2.00000
     12     -10.2376      2.00000
     13      -9.2682      2.00000
     14      -9.2641      2.00000
     15      -8.2845      2.00000
     16      -8.1905      2.00000
     17      -5.3309      2.00000
     18      -5.2362      2.00000
     19      -4.5867      2.00000
     20      -4.5115      2.00000
     21       2.2108      0.00000
     22       2.2304      0.00000
     23       2.6106      0.00000
     24       2.6192      0.00000
     25       3.2044      0.00000
     26       3.3110      0.00000
     27       3.8245      0.00000
     28       3.9664      0.00000

 k-point   514 :      -0.2174   -0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.1870      2.00000
      2     -23.9436      2.00000
      3     -20.7745      2.00000
      4     -20.5917      2.00000
      5     -16.3812      2.00000
      6     -16.2030      2.00000
      7     -13.0588      2.00000
      8     -13.0471      2.00000
      9     -12.8211      2.00000
     10     -12.6196      2.00000
     11     -10.6272      2.00000
     12     -10.3362      2.00000
     13      -9.3160      2.00000
     14      -9.2989      2.00000
     15      -8.2058      2.00000
     16      -8.0844      2.00000
     17      -5.2567      2.00000
     18      -5.1387      2.00000
     19      -4.4573      2.00000
     20      -4.3809      2.00000
     21       2.0545      0.00000
     22       2.0946      0.00000
     23       2.5221      0.00000
     24       2.5778      0.00000
     25       3.1855      0.00000
     26       3.2931      0.00000
     27       3.6327      0.00000
     28       3.7892      0.00000

 k-point   515 :      -0.1739   -0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.2996      2.00000
      2     -24.0553      2.00000
      3     -20.4348      2.00000
      4     -20.2659      2.00000
      5     -16.5644      2.00000
      6     -16.4263      2.00000
      7     -13.3622      2.00000
      8     -13.2957      2.00000
      9     -12.6604      2.00000
     10     -12.3687      2.00000
     11     -10.7355      2.00000
     12     -10.4342      2.00000
     13      -9.3691      2.00000
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     17      -5.1810      2.00000
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     25       3.2398      0.00000
     26       3.3494      0.00000
     27       3.4787      0.00000
     28       3.6446      0.00000

 k-point   516 :      -0.1304   -0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.3875      2.00000
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     11     -10.8383      2.00000
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     17      -5.1117      2.00000
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     20      -4.1692      2.00000
     21       1.8260      0.00000
     22       1.8828      0.00000
     23       2.3724      0.00000
     24       2.4598      0.00000
     25       3.3143      0.00000
     26       3.3564      0.00000
     27       3.4473      0.00000
     28       3.5390      0.00000

 k-point   517 :      -0.0870   -0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.4504      2.00000
      2     -24.2048      2.00000
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     10     -11.8969      2.00000
     11     -10.9326      2.00000
     12     -10.6158      2.00000
     13      -9.4664      2.00000
     14      -9.4536      2.00000
     15      -8.1544      2.00000
     16      -7.9846      2.00000
     17      -5.0556      2.00000
     18      -4.8965      2.00000
     19      -4.1792      2.00000
     20      -4.0956      2.00000
     21       1.7551      0.00000
     22       1.8138      0.00000
     23       2.3179      0.00000
     24       2.4057      0.00000
     25       3.2565      0.00000
     26       3.3804      0.00000
     27       3.4719      0.00000
     28       3.5201      0.00000

 k-point   518 :      -0.0435   -0.4762    0.3333
  band No.  band energies     occupation 
      1     -24.4882      2.00000
      2     -24.2423      2.00000
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      9     -12.0068      2.00000
     10     -11.7431      2.00000
     11     -11.0070      2.00000
     12     -10.6834      2.00000
     13      -9.4974      2.00000
     14      -9.4909      2.00000
     15      -8.1620      2.00000
     16      -7.9872      2.00000
     17      -5.0190      2.00000
     18      -4.8552      2.00000
     19      -4.1342      2.00000
     20      -4.0492      2.00000
     21       1.7128      0.00000
     22       1.7719      0.00000
     23       2.2839      0.00000
     24       2.3699      0.00000
     25       3.2056      0.00000
     26       3.3655      0.00000
     27       3.4706      0.00000
     28       3.5392      0.00000

 k-point   519 :       0.0000   -0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.7263      2.00000
      2     -23.9896      2.00000
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     10     -11.4567      2.00000
     11     -11.3668      2.00000
     12     -10.4028      2.00000
     13      -9.5271      2.00000
     14      -9.5157      2.00000
     15      -8.3585      2.00000
     16      -7.8427      2.00000
     17      -5.1428      2.00000
     18      -4.6595      2.00000
     19      -4.1745      2.00000
     20      -3.9255      2.00000
     21       1.4898      0.00000
     22       1.5699      0.00000
     23       2.4374      0.00000
     24       2.5761      0.00000
     25       2.8464      0.00000
     26       3.0315      0.00000
     27       3.2975      0.00000
     28       3.4091      0.00000

 k-point   520 :       0.0435   -0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.7136      2.00000
      2     -23.9772      2.00000
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      4     -19.4433      2.00000
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      8     -13.9191      2.00000
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     10     -11.5072      2.00000
     11     -11.3340      2.00000
     12     -10.3809      2.00000
     13      -9.5104      2.00000
     14      -9.5064      2.00000
     15      -8.3552      2.00000
     16      -7.8432      2.00000
     17      -5.1537      2.00000
     18      -4.6743      2.00000
     19      -4.1897      2.00000
     20      -3.9414      2.00000
     21       1.5033      0.00000
     22       1.5831      0.00000
     23       2.4493      0.00000
     24       2.5908      0.00000
     25       2.8637      0.00000
     26       3.0461      0.00000
     27       3.3077      0.00000
     28       3.4150      0.00000

 k-point   521 :       0.0870   -0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.6756      2.00000
      2     -23.9401      2.00000
      3     -19.9902      2.00000
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     10     -11.6461      2.00000
     11     -11.2552      2.00000
     12     -10.3246      2.00000
     13      -9.4823      2.00000
     14      -9.4632      2.00000
     15      -8.3473      2.00000
     16      -7.8486      2.00000
     17      -5.1845      2.00000
     18      -4.7180      2.00000
     19      -4.2339      2.00000
     20      -3.9883      2.00000
     21       1.5442      0.00000
     22       1.6222      0.00000
     23       2.4847      0.00000
     24       2.6321      0.00000
     25       2.9153      0.00000
     26       3.0872      0.00000
     27       3.3228      0.00000
     28       3.4257      0.00000

 k-point   522 :       0.1304   -0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.6123      2.00000
      2     -23.8783      2.00000
      3     -20.2724      2.00000
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     10     -11.8478      2.00000
     11     -11.1561      2.00000
     12     -10.2497      2.00000
     13      -9.4437      2.00000
     14      -9.4031      2.00000
     15      -8.3400      2.00000
     16      -7.8688      2.00000
     17      -5.2300      2.00000
     18      -4.7884      2.00000
     19      -4.3036      2.00000
     20      -4.0630      2.00000
     21       1.6133      0.00000
     22       1.6862      0.00000
     23       2.5421      0.00000
     24       2.6906      0.00000
     25       3.0004      0.00000
     26       3.1373      0.00000
     27       3.3080      0.00000
     28       3.4674      0.00000

 k-point   523 :       0.1739   -0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.5239      2.00000
      2     -23.7920      2.00000
      3     -20.6007      2.00000
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      5     -16.7064      2.00000
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     10     -12.0887      2.00000
     11     -11.0468      2.00000
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     13      -9.3956      2.00000
     14      -9.3457      2.00000
     15      -8.3411      2.00000
     16      -7.9161      2.00000
     17      -5.2834      2.00000
     18      -4.8813      2.00000
     19      -4.3953      2.00000
     20      -4.1610      2.00000
     21       1.7112      0.00000
     22       1.7733      0.00000
     23       2.6177      0.00000
     24       2.7481      0.00000
     25       3.1025      0.00000
     26       3.1543      0.00000
     27       3.3508      0.00000
     28       3.4972      0.00000

 k-point   524 :       0.2174   -0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.4104      2.00000
      2     -23.6814      2.00000
      3     -20.9506      2.00000
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      5     -16.5633      2.00000
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     10     -12.3432      2.00000
     11     -10.9294      2.00000
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     13      -9.3420      2.00000
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     15      -8.3601      2.00000
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     17      -5.3377      2.00000
     18      -4.9904      2.00000
     19      -4.5064      2.00000
     20      -4.2778      2.00000
     21       1.8381      0.00000
     22       1.8817      0.00000
     23       2.7039      0.00000
     24       2.7774      0.00000
     25       3.1162      0.00000
     26       3.2836      0.00000
     27       3.4517      0.00000
     28       3.5137      0.00000

 k-point   525 :       0.2609   -0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.2723      2.00000
      2     -23.5469      2.00000
      3     -21.3071      2.00000
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     10     -12.3712      2.00000
     11     -10.8039      2.00000
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     13      -9.2916      2.00000
     14      -9.2868      2.00000
     15      -8.4060      2.00000
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     17      -5.3859      2.00000
     18      -5.1067      2.00000
     19      -4.6353      2.00000
     20      -4.4093      2.00000
     21       1.9932      0.00000
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     23       2.7712      0.00000
     24       2.7984      0.00000
     25       3.1734      0.00000
     26       3.4600      0.00000
     27       3.5342      0.00000
     28       3.6688      0.00000

 k-point   526 :       0.3043   -0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.1096      2.00000
      2     -23.3887      2.00000
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      9     -12.2001      2.00000
     10     -11.9414      2.00000
     11     -10.6718      2.00000
     12      -9.9233      2.00000
     13      -9.3058      2.00000
     14      -9.2356      2.00000
     15      -8.4861      2.00000
     16      -8.2998      2.00000
     17      -5.4206      2.00000
     18      -5.2188      2.00000
     19      -4.7797      2.00000
     20      -4.5525      2.00000
     21       2.1648      0.00000
     22       2.1743      0.00000
     23       2.7705      0.00000
     24       2.9188      0.00000
     25       3.2991      0.00000
     26       3.6193      0.00000
     27       3.7197      0.00000
     28       3.8713      0.00000

 k-point   527 :       0.3478   -0.4286    0.3333
  band No.  band energies     occupation 
      1     -23.9230      2.00000
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     10     -11.5145      2.00000
     11     -10.5382      2.00000
     12      -9.8714      2.00000
     13      -9.3438      2.00000
     14      -9.1911      2.00000
     15      -8.6057      2.00000
     16      -8.5033      2.00000
     17      -5.4338      2.00000
     18      -5.3142      2.00000
     19      -4.9329      2.00000
     20      -4.7048      2.00000
     21       2.3499      0.00000
     22       2.3778      0.00000
     23       2.8250      0.00000
     24       3.0845      0.00000
     25       3.4611      0.00000
     26       3.7668      0.00000
     27       3.9721      0.00000
     28       4.0866      0.00000

 k-point   528 :       0.3913   -0.4286    0.3333
  band No.  band energies     occupation 
      1     -23.7128      2.00000
      2     -23.0038      2.00000
      3     -22.3362      2.00000
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      8     -13.6013      2.00000
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     10     -11.1142      2.00000
     11     -10.4168      2.00000
     12      -9.8683      2.00000
     13      -9.3872      2.00000
     14      -9.1552      2.00000
     15      -8.7659      2.00000
     16      -8.7166      2.00000
     17      -5.4172      2.00000
     18      -5.3803      2.00000
     19      -5.0841      2.00000
     20      -4.8616      2.00000
     21       2.5710      0.00000
     22       2.6014      0.00000
     23       2.9567      0.00000
     24       3.2949      0.00000
     25       3.6018      0.00000
     26       3.8606      0.00000
     27       4.1997      0.00000
     28       4.2842      0.00000

 k-point   529 :       0.4348   -0.4286    0.3333
  band No.  band energies     occupation 
      1     -23.4796      2.00000
      2     -22.7785      2.00000
      3     -22.6511      2.00000
      4     -21.9840      2.00000
      5     -15.5925      2.00000
      6     -14.8068      2.00000
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      8     -13.8942      2.00000
      9     -10.8999      2.00000
     10     -10.7687      2.00000
     11     -10.3402      2.00000
     12      -9.9569      2.00000
     13      -9.3970      2.00000
     14      -9.1241      2.00000
     15      -8.9588      2.00000
     16      -8.9003      2.00000
     17      -5.4070      2.00000
     18      -5.3653      2.00000
     19      -5.2194      2.00000
     20      -5.0156      2.00000
     21       2.8251      0.00000
     22       2.8465      0.00000
     23       3.1479      0.00000
     24       3.4913      0.00000
     25       3.6485      0.00000
     26       3.7995      0.00000
     27       4.1861      0.00000
     28       4.1943      0.00000

 k-point   530 :       0.4783   -0.4286    0.3333
  band No.  band energies     occupation 
      1     -23.2243      2.00000
      2     -22.9477      2.00000
      3     -22.5325      2.00000
      4     -22.2671      2.00000
      5     -15.3463      2.00000
      6     -15.0841      2.00000
      7     -14.4616      2.00000
      8     -14.1816      2.00000
      9     -10.5092      2.00000
     10     -10.5009      2.00000
     11     -10.3611      2.00000
     12     -10.1727      2.00000
     13      -9.3226      2.00000
     14      -9.1603      2.00000
     15      -9.0858      2.00000
     16      -9.0210      2.00000
     17      -5.3882      2.00000
     18      -5.3248      2.00000
     19      -5.2776      2.00000
     20      -5.1573      2.00000
     21       3.0991      0.00000
     22       3.1040      0.00000
     23       3.2733      0.00000
     24       3.3622      0.00000
     25       3.6998      0.00000
     26       3.8509      0.00000
     27       3.8876      0.00000
     28       4.0790      0.00000

 k-point   531 :      -0.4783   -0.4286    0.3333
  band No.  band energies     occupation 
      1     -23.2243      2.00000
      2     -22.9477      2.00000
      3     -22.5325      2.00000
      4     -22.2671      2.00000
      5     -15.3465      2.00000
      6     -15.0839      2.00000
      7     -14.4616      2.00000
      8     -14.1816      2.00000
      9     -10.5079      2.00000
     10     -10.5011      2.00000
     11     -10.3626      2.00000
     12     -10.1724      2.00000
     13      -9.3233      2.00000
     14      -9.1595      2.00000
     15      -9.0869      2.00000
     16      -9.0200      2.00000
     17      -5.3898      2.00000
     18      -5.3233      2.00000
     19      -5.2762      2.00000
     20      -5.1587      2.00000
     21       3.0991      0.00000
     22       3.1039      0.00000
     23       3.2735      0.00000
     24       3.3622      0.00000
     25       3.7001      0.00000
     26       3.8512      0.00000
     27       3.8871      0.00000
     28       4.0788      0.00000

 k-point   532 :      -0.4348   -0.4286    0.3333
  band No.  band energies     occupation 
      1     -23.4796      2.00000
      2     -22.7785      2.00000
      3     -22.6511      2.00000
      4     -21.9840      2.00000
      5     -15.5927      2.00000
      6     -14.8065      2.00000
      7     -14.7339      2.00000
      8     -13.8942      2.00000
      9     -10.9000      2.00000
     10     -10.7676      2.00000
     11     -10.3419      2.00000
     12      -9.9565      2.00000
     13      -9.3974      2.00000
     14      -9.1250      2.00000
     15      -8.9581      2.00000
     16      -8.8996      2.00000
     17      -5.4086      2.00000
     18      -5.3638      2.00000
     19      -5.2179      2.00000
     20      -5.0170      2.00000
     21       2.8250      0.00000
     22       2.8465      0.00000
     23       3.1483      0.00000
     24       3.4915      0.00000
     25       3.6485      0.00000
     26       3.7997      0.00000
     27       4.1858      0.00000
     28       4.1942      0.00000

 k-point   533 :      -0.3913   -0.4286    0.3333
  band No.  band energies     occupation 
      1     -23.7128      2.00000
      2     -23.0038      2.00000
      3     -22.3362      2.00000
      4     -21.6853      2.00000
      5     -15.8217      2.00000
      6     -14.9992      2.00000
      7     -14.5161      2.00000
      8     -13.6013      2.00000
      9     -11.3342      2.00000
     10     -11.1134      2.00000
     11     -10.4184      2.00000
     12      -9.8679      2.00000
     13      -9.3873      2.00000
     14      -9.1558      2.00000
     15      -8.7654      2.00000
     16      -8.7161      2.00000
     17      -5.4156      2.00000
     18      -5.3819      2.00000
     19      -5.0828      2.00000
     20      -4.8628      2.00000
     21       2.5709      0.00000
     22       2.6015      0.00000
     23       2.9570      0.00000
     24       3.2953      0.00000
     25       3.6018      0.00000
     26       3.8607      0.00000
     27       4.1992      0.00000
     28       4.2841      0.00000

 k-point   534 :      -0.3478   -0.4286    0.3333
  band No.  band energies     occupation 
      1     -23.9230      2.00000
      2     -23.2075      2.00000
      3     -22.0050      2.00000
      4     -21.3738      2.00000
      5     -16.0332      2.00000
      6     -15.2594      2.00000
      7     -14.2152      2.00000
      8     -13.3070      2.00000
      9     -11.7772      2.00000
     10     -11.5139      2.00000
     11     -10.5398      2.00000
     12      -9.8711      2.00000
     13      -9.3436      2.00000
     14      -9.1916      2.00000
     15      -8.6055      2.00000
     16      -8.5028      2.00000
     17      -5.4322      2.00000
     18      -5.3157      2.00000
     19      -4.9317      2.00000
     20      -4.7059      2.00000
     21       2.3497      0.00000
     22       2.3781      0.00000
     23       2.8253      0.00000
     24       3.0847      0.00000
     25       3.4612      0.00000
     26       3.7668      0.00000
     27       3.9721      0.00000
     28       4.0862      0.00000

 k-point   535 :      -0.3043   -0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.1096      2.00000
      2     -23.3887      2.00000
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     15      -8.4861      2.00000
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     17      -5.4191      2.00000
     18      -5.2203      2.00000
     19      -4.7785      2.00000
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     23       2.7708      0.00000
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     25       3.2993      0.00000
     26       3.6192      0.00000
     27       3.7197      0.00000
     28       3.8711      0.00000

 k-point   536 :      -0.2609   -0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.2722      2.00000
      2     -23.5469      2.00000
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     10     -12.3708      2.00000
     11     -10.8054      2.00000
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     15      -8.4061      2.00000
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     17      -5.3844      2.00000
     18      -5.1081      2.00000
     19      -4.6343      2.00000
     20      -4.4102      2.00000
     21       1.9935      0.00000
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     23       2.7715      0.00000
     24       2.7982      0.00000
     25       3.1738      0.00000
     26       3.4599      0.00000
     27       3.5342      0.00000
     28       3.6686      0.00000

 k-point   537 :      -0.2174   -0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.4104      2.00000
      2     -23.6814      2.00000
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     10     -12.3435      2.00000
     11     -10.9309      2.00000
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     16      -8.0007      2.00000
     17      -5.3363      2.00000
     18      -4.9916      2.00000
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     20      -4.2787      2.00000
     21       1.8384      0.00000
     22       1.8816      0.00000
     23       2.7036      0.00000
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     25       3.1165      0.00000
     26       3.2836      0.00000
     27       3.4517      0.00000
     28       3.5136      0.00000

 k-point   538 :      -0.1739   -0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.5238      2.00000
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     10     -12.0889      2.00000
     11     -11.0483      2.00000
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     16      -7.9159      2.00000
     17      -5.2823      2.00000
     18      -4.8823      2.00000
     19      -4.3946      2.00000
     20      -4.1618      2.00000
     21       1.7114      0.00000
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     23       2.6174      0.00000
     24       2.7483      0.00000
     25       3.1026      0.00000
     26       3.1545      0.00000
     27       3.3507      0.00000
     28       3.4973      0.00000

 k-point   539 :      -0.1304   -0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.6123      2.00000
      2     -23.8783      2.00000
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     10     -11.8479      2.00000
     11     -11.1575      2.00000
     12     -10.2495      2.00000
     13      -9.4437      2.00000
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     17      -5.2291      2.00000
     18      -4.7891      2.00000
     19      -4.3031      2.00000
     20      -4.0635      2.00000
     21       1.6135      0.00000
     22       1.6862      0.00000
     23       2.5419      0.00000
     24       2.6908      0.00000
     25       3.0004      0.00000
     26       3.1374      0.00000
     27       3.3081      0.00000
     28       3.4676      0.00000

 k-point   540 :      -0.0870   -0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.6756      2.00000
      2     -23.9401      2.00000
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     10     -11.6462      2.00000
     11     -11.2565      2.00000
     12     -10.3245      2.00000
     13      -9.4823      2.00000
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     17      -5.1839      2.00000
     18      -4.7185      2.00000
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     20      -3.9887      2.00000
     21       1.5444      0.00000
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     23       2.4845      0.00000
     24       2.6321      0.00000
     25       2.9153      0.00000
     26       3.0872      0.00000
     27       3.3230      0.00000
     28       3.4260      0.00000

 k-point   541 :      -0.0435   -0.4286    0.3333
  band No.  band energies     occupation 
      1     -24.7136      2.00000
      2     -23.9772      2.00000
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     10     -11.5073      2.00000
     11     -11.3348      2.00000
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     17      -5.1534      2.00000
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     20      -3.9416      2.00000
     21       1.5034      0.00000
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     23       2.4492      0.00000
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     25       2.8637      0.00000
     26       3.0461      0.00000
     27       3.3078      0.00000
     28       3.4153      0.00000

 k-point   542 :       0.0000   -0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.9304      2.00000
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     10     -11.6872      2.00000
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     20      -3.8043      2.00000
     21       1.2727      0.00000
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     25       2.7312      0.00000
     26       2.8150      0.00000
     27       3.0559      0.00000
     28       3.2405      0.00000

 k-point   543 :       0.0435   -0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.9177      2.00000
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     10     -11.6535      2.00000
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     17      -5.2490      2.00000
     18      -4.4921      2.00000
     19      -4.2107      2.00000
     20      -3.8202      2.00000
     21       1.2859      0.00000
     22       1.3481      0.00000
     23       2.5260      0.00000
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     25       2.7496      0.00000
     26       2.8293      0.00000
     27       3.0688      0.00000
     28       3.2466      0.00000

 k-point   544 :       0.0870   -0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.8794      2.00000
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     10     -11.5728      2.00000
     11     -11.4257      2.00000
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     13      -9.5069      2.00000
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     17      -5.2723      2.00000
     18      -4.5364      2.00000
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     20      -3.8670      2.00000
     21       1.3257      0.00000
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     23       2.5736      0.00000
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     25       2.8007      0.00000
     26       2.8704      0.00000
     27       3.1032      0.00000
     28       3.2561      0.00000

 k-point   545 :       0.1304   -0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.8158      2.00000
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     10     -11.6052      2.00000
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     18      -4.6100      2.00000
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     20      -3.9418      2.00000
     21       1.3932      0.00000
     22       1.4488      0.00000
     23       2.6487      0.00000
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     25       2.8707      0.00000
     26       2.9307      0.00000
     27       3.1382      0.00000
     28       3.2745      0.00000

 k-point   546 :       0.1739   -0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.7268      2.00000
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     10     -11.8265      2.00000
     11     -11.3542      2.00000
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     15      -8.5441      2.00000
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     17      -5.3404      2.00000
     18      -4.7103      2.00000
     19      -4.4151      2.00000
     20      -4.0403      2.00000
     21       1.4892      0.00000
     22       1.5349      0.00000
     23       2.7415      0.00000
     24       2.8244      0.00000
     25       2.9302      0.00000
     26       2.9912      0.00000
     27       3.1739      0.00000
     28       3.3511      0.00000

 k-point   547 :       0.2174   -0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.6127      2.00000
      2     -23.4022      2.00000
      3     -21.1156      2.00000
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     10     -12.0696      2.00000
     11     -11.2257      2.00000
     12      -9.8884      2.00000
     13      -9.3554      2.00000
     14      -9.3385      2.00000
     15      -8.5413      2.00000
     16      -7.9545      2.00000
     17      -5.3715      2.00000
     18      -4.8309      2.00000
     19      -4.5255      2.00000
     20      -4.1576      2.00000
     21       1.6145      0.00000
     22       1.6440      0.00000
     23       2.8343      0.00000
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     25       2.9737      0.00000
     26       3.0591      0.00000
     27       3.2765      0.00000
     28       3.4796      0.00000

 k-point   548 :       0.2609   -0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.4737      2.00000
      2     -23.2694      2.00000
      3     -21.4785      2.00000
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      5     -16.6127      2.00000
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     10     -12.2563      2.00000
     11     -11.0828      2.00000
     12      -9.8197      2.00000
     13      -9.3500      2.00000
     14      -9.3038      2.00000
     15      -8.5482      2.00000
     16      -8.0992      2.00000
     17      -5.3927      2.00000
     18      -4.9618      2.00000
     19      -4.6551      2.00000
     20      -4.2892      2.00000
     21       1.7686      0.00000
     22       1.7776      0.00000
     23       2.8886      0.00000
     24       2.9250      0.00000
     25       3.1386      0.00000
     26       3.1980      0.00000
     27       3.4399      0.00000
     28       3.6460      0.00000

 k-point   549 :       0.3043   -0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.3101      2.00000
      2     -23.1134      2.00000
      3     -21.8376      2.00000
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      5     -16.4635      2.00000
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      9     -12.2061      2.00000
     10     -11.8478      2.00000
     11     -10.9245      2.00000
     12      -9.7638      2.00000
     13      -9.3991      2.00000
     14      -9.2519      2.00000
     15      -8.5793      2.00000
     16      -8.2811      2.00000
     17      -5.3985      2.00000
     18      -5.0912      2.00000
     19      -4.8005      2.00000
     20      -4.4314      2.00000
     21       1.9393      0.00000
     22       1.9500      0.00000
     23       2.8419      0.00000
     24       3.0482      0.00000
     25       3.3183      0.00000
     26       3.4109      0.00000
     27       3.6402      0.00000
     28       3.8366      0.00000

 k-point   550 :       0.3478   -0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.1222      2.00000
      2     -22.9349      2.00000
      3     -22.1866      2.00000
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      5     -16.2910      2.00000
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     10     -11.4620      2.00000
     11     -10.7535      2.00000
     12      -9.7404      2.00000
     13      -9.4675      2.00000
     14      -9.2016      2.00000
     15      -8.6501      2.00000
     16      -8.4863      2.00000
     17      -5.3833      2.00000
     18      -5.2062      2.00000
     19      -4.9529      2.00000
     20      -4.5817      2.00000
     21       2.1333      0.00000
     22       2.1558      0.00000
     23       2.8472      0.00000
     24       3.2210      0.00000
     25       3.5108      0.00000
     26       3.6677      0.00000
     27       3.8485      0.00000
     28       3.9971      0.00000

 k-point   551 :       0.3913   -0.3810    0.3333
  band No.  band energies     occupation 
      1     -23.9106      2.00000
      2     -22.7344      2.00000
      3     -22.5217      2.00000
      4     -21.4468      2.00000
      5     -16.0960      2.00000
      6     -14.8289      2.00000
      7     -14.7362      2.00000
      8     -13.3092      2.00000
      9     -11.4060      2.00000
     10     -11.1243      2.00000
     11     -10.5891      2.00000
     12      -9.7837      2.00000
     13      -9.5197      2.00000
     14      -9.1518      2.00000
     15      -8.7713      2.00000
     16      -8.6873      2.00000
     17      -5.3413      2.00000
     18      -5.2945      2.00000
     19      -5.0987      2.00000
     20      -4.7366      2.00000
     21       2.3607      0.00000
     22       2.3829      0.00000
     23       2.9276      0.00000
     24       3.4117      0.00000
     25       3.6646      0.00000
     26       3.9401      0.00000
     27       3.9507      0.00000
     28       4.0071      0.00000

 k-point   552 :       0.4348   -0.3810    0.3333
  band No.  band energies     occupation 
      1     -23.6757      2.00000
      2     -22.8399      2.00000
      3     -22.5131      2.00000
      4     -21.7366      2.00000
      5     -15.8796      2.00000
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      8     -13.5993      2.00000
      9     -10.9733      2.00000
     10     -10.8508      2.00000
     11     -10.4885      2.00000
     12      -9.9345      2.00000
     13      -9.4958      2.00000
     14      -9.0986      2.00000
     15      -8.9433      2.00000
     16      -8.8496      2.00000
     17      -5.3453      2.00000
     18      -5.2687      2.00000
     19      -5.2223      2.00000
     20      -4.8907      2.00000
     21       2.6183      0.00000
     22       2.6296      0.00000
     23       3.0606      0.00000
     24       3.4108      0.00000
     25       3.7383      0.00000
     26       3.8109      0.00000
     27       4.1232      0.00000
     28       4.1600      0.00000

 k-point   553 :       0.4783   -0.3810    0.3333
  band No.  band energies     occupation 
      1     -23.4183      2.00000
      2     -23.1393      2.00000
      3     -22.2719      2.00000
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      5     -15.6431      2.00000
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      7     -14.1740      2.00000
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      9     -10.6437      2.00000
     10     -10.5627      2.00000
     11     -10.5111      2.00000
     12     -10.2039      2.00000
     13      -9.3572      2.00000
     14      -9.1516      2.00000
     15      -9.0371      2.00000
     16      -8.9606      2.00000
     17      -5.3510      2.00000
     18      -5.3100      2.00000
     19      -5.1659      2.00000
     20      -5.0363      2.00000
     21       2.8874      0.00000
     22       2.8968      0.00000
     23       3.0906      0.00000
     24       3.1783      0.00000
     25       3.6512      0.00000
     26       3.8588      0.00000
     27       4.0451      0.00000
     28       4.2006      0.00000

 k-point   554 :      -0.4783   -0.3810    0.3333
  band No.  band energies     occupation 
      1     -23.4183      2.00000
      2     -23.1393      2.00000
      3     -22.2719      2.00000
      4     -22.0124      2.00000
      5     -15.6434      2.00000
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      7     -14.1741      2.00000
      8     -13.8883      2.00000
      9     -10.6428      2.00000
     10     -10.5626      2.00000
     11     -10.5120      2.00000
     12     -10.2040      2.00000
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     18      -5.3084      2.00000
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     25       3.6515      0.00000
     26       3.8585      0.00000
     27       4.0452      0.00000
     28       4.2010      0.00000

 k-point   555 :      -0.4348   -0.3810    0.3333
  band No.  band energies     occupation 
      1     -23.6757      2.00000
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     17      -5.3470      2.00000
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     23       3.0609      0.00000
     24       3.4106      0.00000
     25       3.7385      0.00000
     26       3.8111      0.00000
     27       4.1236      0.00000
     28       4.1598      0.00000

 k-point   556 :      -0.3913   -0.3810    0.3333
  band No.  band energies     occupation 
      1     -23.9106      2.00000
      2     -22.7345      2.00000
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     10     -11.1233      2.00000
     11     -10.5908      2.00000
     12      -9.7839      2.00000
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     14      -9.1522      2.00000
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     16      -8.6866      2.00000
     17      -5.3398      2.00000
     18      -5.2961      2.00000
     19      -5.0972      2.00000
     20      -4.7378      2.00000
     21       2.3607      0.00000
     22       2.3831      0.00000
     23       2.9279      0.00000
     24       3.4116      0.00000
     25       3.6654      0.00000
     26       3.9401      0.00000
     27       3.9507      0.00000
     28       4.0069      0.00000

 k-point   557 :      -0.3478   -0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.1222      2.00000
      2     -22.9349      2.00000
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     10     -11.4611      2.00000
     11     -10.7553      2.00000
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     13      -9.4676      2.00000
     14      -9.2016      2.00000
     15      -8.6496      2.00000
     16      -8.4857      2.00000
     17      -5.3818      2.00000
     18      -5.2077      2.00000
     19      -4.9516      2.00000
     20      -4.5828      2.00000
     21       2.1332      0.00000
     22       2.1561      0.00000
     23       2.8474      0.00000
     24       3.2208      0.00000
     25       3.5118      0.00000
     26       3.6677      0.00000
     27       3.8481      0.00000
     28       3.9973      0.00000

 k-point   558 :      -0.3043   -0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.3101      2.00000
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     10     -11.8470      2.00000
     11     -10.9263      2.00000
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     13      -9.3989      2.00000
     14      -9.2517      2.00000
     15      -8.5790      2.00000
     16      -8.2807      2.00000
     17      -5.3970      2.00000
     18      -5.0926      2.00000
     19      -4.7994      2.00000
     20      -4.4325      2.00000
     21       1.9393      0.00000
     22       1.9503      0.00000
     23       2.8421      0.00000
     24       3.0479      0.00000
     25       3.3193      0.00000
     26       3.4110      0.00000
     27       3.6401      0.00000
     28       3.8362      0.00000

 k-point   559 :      -0.2609   -0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.4737      2.00000
      2     -23.2694      2.00000
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     10     -12.2557      2.00000
     11     -11.0847      2.00000
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     13      -9.3495      2.00000
     14      -9.3033      2.00000
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     17      -5.3913      2.00000
     18      -4.9632      2.00000
     19      -4.6541      2.00000
     20      -4.2901      2.00000
     21       1.7689      0.00000
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     23       2.8889      0.00000
     24       2.9245      0.00000
     25       3.1392      0.00000
     26       3.1985      0.00000
     27       3.4400      0.00000
     28       3.6457      0.00000

 k-point   560 :      -0.2174   -0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.6127      2.00000
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     10     -12.0696      2.00000
     11     -11.2275      2.00000
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     17      -5.3702      2.00000
     18      -4.8320      2.00000
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     21       1.6148      0.00000
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     25       2.9737      0.00000
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     27       3.2768      0.00000
     28       3.4795      0.00000

 k-point   561 :      -0.1739   -0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.7268      2.00000
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     10     -11.8264      2.00000
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     17      -5.3392      2.00000
     18      -4.7112      2.00000
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     21       1.4895      0.00000
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     25       2.9305      0.00000
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     27       3.1743      0.00000
     28       3.3512      0.00000

 k-point   562 :      -0.1304   -0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.8158      2.00000
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     10     -11.6051      2.00000
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     13      -9.4438      2.00000
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     17      -5.3041      2.00000
     18      -4.6107      2.00000
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     20      -3.9423      2.00000
     21       1.3934      0.00000
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     23       2.6487      0.00000
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     25       2.8709      0.00000
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     27       3.1383      0.00000
     28       3.2750      0.00000

 k-point   563 :      -0.0870   -0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.8794      2.00000
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     11     -11.4256      2.00000
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     13      -9.5062      2.00000
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     17      -5.2717      2.00000
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     20      -3.8673      2.00000
     21       1.3259      0.00000
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     23       2.5736      0.00000
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     25       2.8008      0.00000
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     27       3.1031      0.00000
     28       3.2566      0.00000

 k-point   564 :      -0.0435   -0.3810    0.3333
  band No.  band energies     occupation 
      1     -24.9177      2.00000
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     17      -5.2487      2.00000
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     21       1.2859      0.00000
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     23       2.5260      0.00000
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     25       2.7497      0.00000
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     27       3.0688      0.00000
     28       3.2468      0.00000

 k-point   565 :       0.0000   -0.3333    0.3333
  band No.  band energies     occupation 
      1     -25.1122      2.00000
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     10     -11.9866      2.00000
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     17      -5.2952      2.00000
     18      -4.3159      2.00000
     19      -4.1750      2.00000
     20      -3.6785      2.00000
     21       1.0766      0.00000
     22       1.1252      0.00000
     23       2.2536      0.00000
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     26       2.7794      0.00000
     27       2.8853      0.00000
     28       3.1527      0.00000

 k-point   566 :       0.0435   -0.3333    0.3333
  band No.  band energies     occupation 
      1     -25.0994      2.00000
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     10     -11.9527      2.00000
     11     -11.1482      2.00000
     12      -9.9472      2.00000
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     15      -8.7380      2.00000
     16      -7.6705      2.00000
     17      -5.3009      2.00000
     18      -4.3287      2.00000
     19      -4.1925      2.00000
     20      -3.6941      2.00000
     21       1.0893      0.00000
     22       1.1379      0.00000
     23       2.2711      0.00000
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     25       2.6882      0.00000
     26       2.8018      0.00000
     27       2.9007      0.00000
     28       3.1473      0.00000

 k-point   567 :       0.0870   -0.3333    0.3333
  band No.  band energies     occupation 
      1     -25.0610      2.00000
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     10     -11.8703      2.00000
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     12      -9.9285      2.00000
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     14      -9.4076      2.00000
     15      -8.7497      2.00000
     16      -7.6941      2.00000
     17      -5.3159      2.00000
     18      -4.3688      2.00000
     19      -4.2420      2.00000
     20      -3.7400      2.00000
     21       1.1280      0.00000
     22       1.1760      0.00000
     23       2.3233      0.00000
     24       2.4590      0.00000
     25       2.7345      0.00000
     26       2.8639      0.00000
     27       2.9454      0.00000
     28       3.1321      0.00000

 k-point   568 :       0.1304   -0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.9970      2.00000
      2     -23.2995      2.00000
      3     -20.5595      2.00000
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     10     -11.7623      2.00000
     11     -11.3927      2.00000
     12      -9.8962      2.00000
     13      -9.4985      2.00000
     14      -9.3846      2.00000
     15      -8.7624      2.00000
     16      -7.7420      2.00000
     17      -5.3350      2.00000
     18      -4.4405      2.00000
     19      -4.3161      2.00000
     20      -3.8137      2.00000
     21       1.1938      0.00000
     22       1.2389      0.00000
     23       2.4102      0.00000
     24       2.5357      0.00000
     25       2.8082      0.00000
     26       2.9490      0.00000
     27       3.0084      0.00000
     28       3.1239      0.00000

 k-point   569 :       0.1739   -0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.9077      2.00000
      2     -23.2154      2.00000
      3     -20.9028      2.00000
      4     -19.8429      2.00000
      5     -16.9401      2.00000
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      7     -13.6140      2.00000
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      9     -12.9093      2.00000
     10     -11.6357      2.00000
     11     -11.5866      2.00000
     12      -9.8507      2.00000
     13      -9.4212      2.00000
     14      -9.3550      2.00000
     15      -8.7634      2.00000
     16      -7.8223      2.00000
     17      -5.3518      2.00000
     18      -4.5448      2.00000
     19      -4.4088      2.00000
     20      -3.9111      2.00000
     21       1.2879      0.00000
     22       1.3262      0.00000
     23       2.5310      0.00000
     24       2.6403      0.00000
     25       2.9011      0.00000
     26       3.0239      0.00000
     27       3.0620      0.00000
     28       3.1773      0.00000

 k-point   570 :       0.2174   -0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.7930      2.00000
      2     -23.1079      2.00000
      3     -21.2661      2.00000
      4     -20.0845      2.00000
      5     -16.8893      2.00000
      6     -15.7831      2.00000
      7     -13.9166      2.00000
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      9     -12.5410      2.00000
     10     -11.8091      2.00000
     11     -11.4877      2.00000
     12      -9.7950      2.00000
     13      -9.3986      2.00000
     14      -9.3219      2.00000
     15      -8.7407      2.00000
     16      -7.9403      2.00000
     17      -5.3603      2.00000
     18      -4.6744      2.00000
     19      -4.5203      2.00000
     20      -4.0275      2.00000
     21       1.4114      0.00000
     22       1.4384      0.00000
     23       2.6835      0.00000
     24       2.7694      0.00000
     25       2.9981      0.00000
     26       3.0410      0.00000
     27       3.1436      0.00000
     28       3.3051      0.00000

 k-point   571 :       0.2609   -0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.6533      2.00000
      2     -22.9772      2.00000
      3     -21.6341      2.00000
      4     -20.3518      2.00000
      5     -16.8049      2.00000
      6     -15.4381      2.00000
      7     -14.2283      2.00000
      8     -12.7837      2.00000
      9     -12.1662      2.00000
     10     -12.0306      2.00000
     11     -11.3119      2.00000
     12      -9.7363      2.00000
     13      -9.4388      2.00000
     14      -9.2885      2.00000
     15      -8.7035      2.00000
     16      -8.0955      2.00000
     17      -5.3559      2.00000
     18      -4.8167      2.00000
     19      -4.6518      2.00000
     20      -4.1579      2.00000
     21       1.5642      0.00000
     22       1.5774      0.00000
     23       2.8588      0.00000
     24       2.9249      0.00000
     25       2.9813      0.00000
     26       3.1258      0.00000
     27       3.2960      0.00000
     28       3.4793      0.00000

 k-point   572 :       0.3043   -0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.4889      2.00000
      2     -22.8239      2.00000
      3     -21.9974      2.00000
      4     -20.6335      2.00000
      5     -16.6877      2.00000
      6     -15.1069      2.00000
      7     -14.5404      2.00000
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      9     -12.1148      2.00000
     10     -11.8144      2.00000
     11     -11.1023      2.00000
     12      -9.6895      2.00000
     13      -9.5200      2.00000
     14      -9.2564      2.00000
     15      -8.6813      2.00000
     16      -8.2805      2.00000
     17      -5.3351      2.00000
     18      -4.9590      2.00000
     19      -4.7990      2.00000
     20      -4.2982      2.00000
     21       1.7453      0.00000
     22       1.7464      0.00000
     23       2.8972      0.00000
     24       3.0460      0.00000
     25       3.1401      0.00000
     26       3.2999      0.00000
     27       3.4939      0.00000
     28       3.6868      0.00000

 k-point   573 :       0.3478   -0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.3000      2.00000
      2     -22.6487      2.00000
      3     -22.3501      2.00000
      4     -20.9204      2.00000
      5     -16.5401      2.00000
      6     -14.8469      2.00000
      7     -14.7904      2.00000
      8     -12.7665      2.00000
      9     -11.8521      2.00000
     10     -11.5087      2.00000
     11     -10.8704      2.00000
     12      -9.6843      2.00000
     13      -9.6055      2.00000
     14      -9.2208      2.00000
     15      -8.7019      2.00000
     16      -8.4782      2.00000
     17      -5.2947      2.00000
     18      -5.0889      2.00000
     19      -4.9504      2.00000
     20      -4.4455      2.00000
     21       1.9475      0.00000
     22       1.9526      0.00000
     23       2.8593      0.00000
     24       3.2512      0.00000
     25       3.3945      0.00000
     26       3.5109      0.00000
     27       3.7174      0.00000
     28       3.8947      0.00000

 k-point   574 :       0.3913   -0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.0871      2.00000
      2     -22.6883      2.00000
      3     -22.4524      2.00000
      4     -21.2054      2.00000
      5     -16.3643      2.00000
      6     -15.1432      2.00000
      7     -14.4854      2.00000
      8     -13.0288      2.00000
      9     -11.4592      2.00000
     10     -11.2513      2.00000
     11     -10.6751      2.00000
     12      -9.7651      2.00000
     13      -9.6382      2.00000
     14      -9.1705      2.00000
     15      -8.7818      2.00000
     16      -8.6622      2.00000
     17      -5.2312      2.00000
     18      -5.1946      2.00000
     19      -5.0901      2.00000
     20      -4.5970      2.00000
     21       2.1811      0.00000
     22       2.1825      0.00000
     23       2.8870      0.00000
     24       3.4184      0.00000
     25       3.6576      0.00000
     26       3.7179      0.00000
     27       3.8762      0.00000
     28       3.8924      0.00000

 k-point   575 :       0.4348   -0.3333    0.3333
  band No.  band energies     occupation 
      1     -23.8508      2.00000
      2     -23.0092      2.00000
      3     -22.2360      2.00000
      4     -21.4831      2.00000
      5     -16.1628      2.00000
      6     -15.4257      2.00000
      7     -14.1879      2.00000
      8     -13.3127      2.00000
      9     -11.0413      2.00000
     10     -11.0295      2.00000
     11     -10.6087      2.00000
     12      -9.9613      2.00000
     13      -9.5486      2.00000
     14      -9.1008      2.00000
     15      -8.9254      2.00000
     16      -8.8102      2.00000
     17      -5.2654      2.00000
     18      -5.2016      2.00000
     19      -5.1423      2.00000
     20      -4.7487      2.00000
     21       2.4312      0.00000
     22       2.4439      0.00000
     23       2.9552      0.00000
     24       3.2990      0.00000
     25       3.6214      0.00000
     26       3.8712      0.00000
     27       4.0162      0.00000
     28       4.0879      0.00000

 k-point   576 :       0.4783   -0.3333    0.3333
  band No.  band energies     occupation 
      1     -23.5918      2.00000
      2     -23.3109      2.00000
      3     -22.0011      2.00000
      4     -21.7493      2.00000
      5     -15.9377      2.00000
      6     -15.6915      2.00000
      7     -13.8942      2.00000
      8     -13.6026      2.00000
      9     -10.8366      2.00000
     10     -10.6830      2.00000
     11     -10.6327      2.00000
     12     -10.2617      2.00000
     13      -9.3495      2.00000
     14      -9.1239      2.00000
     15      -9.0175      2.00000
     16      -8.9239      2.00000
     17      -5.2922      2.00000
     18      -5.2719      2.00000
     19      -5.0291      2.00000
     20      -4.8948      2.00000
     21       2.6900      0.00000
     22       2.7291      0.00000
     23       2.9109      0.00000
     24       3.0246      0.00000
     25       3.5605      0.00000
     26       3.7657      0.00000
     27       4.1160      0.00000
     28       4.2448      0.00000

 k-point   577 :      -0.4783   -0.3333    0.3333
  band No.  band energies     occupation 
      1     -23.5918      2.00000
      2     -23.3109      2.00000
      3     -22.0011      2.00000
      4     -21.7493      2.00000
      5     -15.9380      2.00000
      6     -15.6911      2.00000
      7     -13.8944      2.00000
      8     -13.6023      2.00000
      9     -10.8363      2.00000
     10     -10.6833      2.00000
     11     -10.6326      2.00000
     12     -10.2620      2.00000
     13      -9.3509      2.00000
     14      -9.1227      2.00000
     15      -9.0182      2.00000
     16      -8.9231      2.00000
     17      -5.2942      2.00000
     18      -5.2700      2.00000
     19      -5.0278      2.00000
     20      -4.8960      2.00000
     21       2.6900      0.00000
     22       2.7293      0.00000
     23       2.9111      0.00000
     24       3.0244      0.00000
     25       3.5605      0.00000
     26       3.7655      0.00000
     27       4.1161      0.00000
     28       4.2451      0.00000

 k-point   578 :      -0.4348   -0.3333    0.3333
  band No.  band energies     occupation 
      1     -23.8508      2.00000
      2     -23.0092      2.00000
      3     -22.2361      2.00000
      4     -21.4830      2.00000
      5     -16.1631      2.00000
      6     -15.4253      2.00000
      7     -14.1880      2.00000
      8     -13.3125      2.00000
      9     -11.0412      2.00000
     10     -11.0290      2.00000
     11     -10.6092      2.00000
     12      -9.9618      2.00000
     13      -9.5499      2.00000
     14      -9.1013      2.00000
     15      -8.9243      2.00000
     16      -8.8094      2.00000
     17      -5.2673      2.00000
     18      -5.1998      2.00000
     19      -5.1410      2.00000
     20      -4.7500      2.00000
     21       2.4314      0.00000
     22       2.4440      0.00000
     23       2.9554      0.00000
     24       3.2988      0.00000
     25       3.6215      0.00000
     26       3.8711      0.00000
     27       4.0163      0.00000
     28       4.0881      0.00000

 k-point   579 :      -0.3913   -0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.0871      2.00000
      2     -22.6883      2.00000
      3     -22.4524      2.00000
      4     -21.2053      2.00000
      5     -16.3647      2.00000
      6     -15.1427      2.00000
      7     -14.4855      2.00000
      8     -13.0285      2.00000
      9     -11.4592      2.00000
     10     -11.2507      2.00000
     11     -10.6762      2.00000
     12      -9.7658      2.00000
     13      -9.6391      2.00000
     14      -9.1705      2.00000
     15      -8.7808      2.00000
     16      -8.6614      2.00000
     17      -5.2298      2.00000
     18      -5.1964      2.00000
     19      -5.0885      2.00000
     20      -4.5982      2.00000
     21       2.1812      0.00000
     22       2.1828      0.00000
     23       2.8872      0.00000
     24       3.4184      0.00000
     25       3.6574      0.00000
     26       3.7179      0.00000
     27       3.8760      0.00000
     28       3.8932      0.00000

 k-point   580 :      -0.3478   -0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.3000      2.00000
      2     -22.6487      2.00000
      3     -22.3501      2.00000
      4     -20.9203      2.00000
      5     -16.5404      2.00000
      6     -14.8464      2.00000
      7     -14.7905      2.00000
      8     -12.7660      2.00000
      9     -11.8523      2.00000
     10     -11.5079      2.00000
     11     -10.8720      2.00000
     12      -9.6854      2.00000
     13      -9.6059      2.00000
     14      -9.2203      2.00000
     15      -8.7011      2.00000
     16      -8.4776      2.00000
     17      -5.2933      2.00000
     18      -5.0906      2.00000
     19      -4.9490      2.00000
     20      -4.4466      2.00000
     21       1.9475      0.00000
     22       1.9529      0.00000
     23       2.8595      0.00000
     24       3.2511      0.00000
     25       3.3945      0.00000
     26       3.5114      0.00000
     27       3.7180      0.00000
     28       3.8948      0.00000

 k-point   581 :      -0.3043   -0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.4889      2.00000
      2     -22.8240      2.00000
      3     -21.9974      2.00000
      4     -20.6334      2.00000
      5     -16.6880      2.00000
      6     -15.1070      2.00000
      7     -14.5398      2.00000
      8     -12.6153      2.00000
      9     -12.1152      2.00000
     10     -11.8134      2.00000
     11     -11.1043      2.00000
     12      -9.6909      2.00000
     13      -9.5200      2.00000
     14      -9.2555      2.00000
     15      -8.6808      2.00000
     16      -8.2800      2.00000
     17      -5.3337      2.00000
     18      -4.9605      2.00000
     19      -4.7978      2.00000
     20      -4.2993      2.00000
     21       1.7456      0.00000
     22       1.7464      0.00000
     23       2.8975      0.00000
     24       3.0459      0.00000
     25       3.1400      0.00000
     26       3.3004      0.00000
     27       3.4946      0.00000
     28       3.6872      0.00000

 k-point   582 :      -0.2609   -0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.6533      2.00000
      2     -22.9772      2.00000
      3     -21.6341      2.00000
      4     -20.3517      2.00000
      5     -16.8051      2.00000
      6     -15.4381      2.00000
      7     -14.2276      2.00000
      8     -12.7833      2.00000
      9     -12.1653      2.00000
     10     -12.0306      2.00000
     11     -11.3140      2.00000
     12      -9.7378      2.00000
     13      -9.4384      2.00000
     14      -9.2875      2.00000
     15      -8.7033      2.00000
     16      -8.0951      2.00000
     17      -5.3545      2.00000
     18      -4.8181      2.00000
     19      -4.6508      2.00000
     20      -4.1588      2.00000
     21       1.5645      0.00000
     22       1.5774      0.00000
     23       2.8587      0.00000
     24       2.9250      0.00000
     25       2.9814      0.00000
     26       3.1260      0.00000
     27       3.2967      0.00000
     28       3.4798      0.00000

 k-point   583 :      -0.2174   -0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.7930      2.00000
      2     -23.1079      2.00000
      3     -21.2662      2.00000
      4     -20.0845      2.00000
      5     -16.8896      2.00000
      6     -15.7831      2.00000
      7     -13.9159      2.00000
      8     -13.0548      2.00000
      9     -12.5403      2.00000
     10     -11.8090      2.00000
     11     -11.4898      2.00000
     12      -9.7966      2.00000
     13      -9.3978      2.00000
     14      -9.3208      2.00000
     15      -8.7409      2.00000
     16      -7.9400      2.00000
     17      -5.3590      2.00000
     18      -4.6755      2.00000
     19      -4.5194      2.00000
     20      -4.0283      2.00000
     21       1.4116      0.00000
     22       1.4384      0.00000
     23       2.6835      0.00000
     24       2.7694      0.00000
     25       2.9980      0.00000
     26       3.0413      0.00000
     27       3.1441      0.00000
     28       3.3057      0.00000

 k-point   584 :      -0.1739   -0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.9077      2.00000
      2     -23.2154      2.00000
      3     -20.9028      2.00000
      4     -19.8428      2.00000
      5     -16.9403      2.00000
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      7     -13.6131      2.00000
      8     -13.2956      2.00000
      9     -12.9087      2.00000
     10     -11.6377      2.00000
     11     -11.5864      2.00000
     12      -9.8523      2.00000
     13      -9.4202      2.00000
     14      -9.3539      2.00000
     15      -8.7639      2.00000
     16      -7.8221      2.00000
     17      -5.3507      2.00000
     18      -4.5457      2.00000
     19      -4.4081      2.00000
     20      -3.9118      2.00000
     21       1.2882      0.00000
     22       1.3262      0.00000
     23       2.5310      0.00000
     24       2.6403      0.00000
     25       2.9012      0.00000
     26       3.0235      0.00000
     27       3.0622      0.00000
     28       3.1781      0.00000

 k-point   585 :      -0.1304   -0.3333    0.3333
  band No.  band energies     occupation 
      1     -24.9970      2.00000
      2     -23.2995      2.00000
      3     -20.5595      2.00000
      4     -19.6393      2.00000
      5     -16.9595      2.00000
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      7     -13.4845      2.00000
      8     -13.3328      2.00000
      9     -13.2402      2.00000
     10     -11.7642      2.00000
     11     -11.3924      2.00000
     12      -9.8977      2.00000
     13      -9.4975      2.00000
     14      -9.3835      2.00000
     15      -8.7630      2.00000
     16      -7.7418      2.00000
     17      -5.3341      2.00000
     18      -4.4411      2.00000
     19      -4.3157      2.00000
     20      -3.8142      2.00000
     21       1.1940      0.00000
     22       1.2389      0.00000
     23       2.4102      0.00000
     24       2.5358      0.00000
     25       2.8084      0.00000
     26       2.9483      0.00000
     27       3.0087      0.00000
     28       3.1244      0.00000

 k-point   586 :      -0.0870   -0.3333    0.3333
  band No.  band energies     occupation 
      1     -25.0610      2.00000
      2     -23.3597      2.00000
      3     -20.2617      2.00000
      4     -19.4854      2.00000
      5     -16.9550      2.00000
      6     -16.7750      2.00000
      7     -13.6181      2.00000
      8     -13.5124      2.00000
      9     -13.0870      2.00000
     10     -11.8719      2.00000
     11     -11.2426      2.00000
     12      -9.9297      2.00000
     13      -9.5942      2.00000
     14      -9.4067      2.00000
     15      -8.7501      2.00000
     16      -7.6940      2.00000
     17      -5.3153      2.00000
     18      -4.3691      2.00000
     19      -4.2418      2.00000
     20      -3.7403      2.00000
     21       1.1282      0.00000
     22       1.1760      0.00000
     23       2.3233      0.00000
     24       2.4590      0.00000
     25       2.7348      0.00000
     26       2.8634      0.00000
     27       2.9457      0.00000
     28       3.1320      0.00000

 k-point   587 :      -0.0435   -0.3333    0.3333
  band No.  band energies     occupation 
      1     -25.0994      2.00000
      2     -23.3959      2.00000
      3     -20.0495      2.00000
      4     -19.3900      2.00000
      5     -16.9907      2.00000
      6     -16.9412      2.00000
      7     -13.6973      2.00000
      8     -13.6901      2.00000
      9     -12.9116      2.00000
     10     -11.9538      2.00000
     11     -11.1480      2.00000
     12      -9.9479      2.00000
     13      -9.6713      2.00000
     14      -9.4216      2.00000
     15      -8.7382      2.00000
     16      -7.6704      2.00000
     17      -5.3006      2.00000
     18      -4.3288      2.00000
     19      -4.1924      2.00000
     20      -3.6943      2.00000
     21       1.0894      0.00000
     22       1.1379      0.00000
     23       2.2711      0.00000
     24       2.4123      0.00000
     25       2.6884      0.00000
     26       2.8015      0.00000
     27       2.9009      0.00000
     28       3.1471      0.00000

 k-point   588 :       0.0000   -0.2857    0.3333
  band No.  band energies     occupation 
      1     -25.2710      2.00000
      2     -23.0956      2.00000
      3     -20.0847      2.00000
      4     -19.4370      2.00000
      5     -17.1062      2.00000
      6     -16.8134      2.00000
      7     -13.6065      2.00000
      8     -13.5469      2.00000
      9     -13.1669      2.00000
     10     -12.2510      2.00000
     11     -11.0152      2.00000
     12      -9.8679      2.00000
     13      -9.8658      2.00000
     14      -9.2734      2.00000
     15      -8.8898      2.00000
     16      -7.6286      2.00000
     17      -5.3086      2.00000
     18      -4.2162      2.00000
     19      -4.0906      2.00000
     20      -3.5561      2.00000
     21       0.9085      0.00000
     22       0.9537      0.00000
     23       2.0194      0.00000
     24       2.1901      0.00000
     25       2.4979      0.00000
     26       2.7029      0.00000
     27       2.7575      0.00000
     28       3.0758      0.00000

 k-point   589 :       0.0435   -0.2857    0.3333
  band No.  band energies     occupation 
      1     -25.2581      2.00000
      2     -23.0838      2.00000
      3     -20.1651      2.00000
      4     -19.4579      2.00000
      5     -17.0202      2.00000
      6     -16.8352      2.00000
      7     -13.5439      2.00000
      8     -13.5248      2.00000
      9     -13.2332      2.00000
     10     -12.2164      2.00000
     11     -11.0372      2.00000
     12      -9.8685      2.00000
     13      -9.8304      2.00000
     14      -9.2727      2.00000
     15      -8.8999      2.00000
     16      -7.6384      2.00000
     17      -5.3115      2.00000
     18      -4.2263      2.00000
     19      -4.1111      2.00000
     20      -3.5711      2.00000
     21       0.9209      0.00000
     22       0.9666      0.00000
     23       2.0369      0.00000
     24       2.2062      0.00000
     25       2.5135      0.00000
     26       2.7202      0.00000
     27       2.7837      0.00000
     28       3.0753      0.00000

 k-point   590 :       0.0870   -0.2857    0.3333
  band No.  band energies     occupation 
      1     -25.2196      2.00000
      2     -23.0482      2.00000
      3     -20.3813      2.00000
      4     -19.5216      2.00000
      5     -16.8896      2.00000
      6     -16.7884      2.00000
      7     -13.4580      2.00000
      8     -13.4177      2.00000
      9     -13.3574      2.00000
     10     -12.1295      2.00000
     11     -11.1041      2.00000
     12      -9.8687      2.00000
     13      -9.7337      2.00000
     14      -9.2694      2.00000
     15      -8.9285      2.00000
     16      -7.6702      2.00000
     17      -5.3181      2.00000
     18      -4.2574      2.00000
     19      -4.1713      2.00000
     20      -3.6155      2.00000
     21       0.9584      0.00000
     22       1.0053      0.00000
     23       2.0894      0.00000
     24       2.2545      0.00000
     25       2.5599      0.00000
     26       2.7673      0.00000
     27       2.8607      0.00000
     28       3.0742      0.00000

 k-point   591 :       0.1304   -0.2857    0.3333
  band No.  band energies     occupation 
      1     -25.1554      2.00000
      2     -22.9890      2.00000
      3     -20.6841      2.00000
      4     -19.6296      2.00000
      5     -16.9507      2.00000
      6     -16.4628      2.00000
      7     -13.6543      2.00000
      8     -13.3452      2.00000
      9     -13.1019      2.00000
     10     -12.0094      2.00000
     11     -11.2176      2.00000
     12      -9.8606      2.00000
     13      -9.6068      2.00000
     14      -9.2627      2.00000
     15      -8.9663      2.00000
     16      -7.7297      2.00000
     17      -5.3239      2.00000
     18      -4.3121      2.00000
     19      -4.2662      2.00000
     20      -3.6869      2.00000
     21       1.0224      0.00000
     22       1.0695      0.00000
     23       2.1768      0.00000
     24       2.3343      0.00000
     25       2.6362      0.00000
     26       2.8400      0.00000
     27       2.9709      0.00000
     28       3.0812      0.00000

 k-point   592 :       0.1739   -0.2857    0.3333
  band No.  band energies     occupation 
      1     -25.0657      2.00000
      2     -22.9065      2.00000
      3     -21.0323      2.00000
      4     -19.7819      2.00000
      5     -16.9931      2.00000
      6     -16.0891      2.00000
      7     -13.9368      2.00000
      8     -13.1852      2.00000
      9     -12.7901      2.00000
     10     -11.8581      2.00000
     11     -11.3752      2.00000
     12      -9.8375      2.00000
     13      -9.5013      2.00000
     14      -9.2535      2.00000
     15      -8.9871      2.00000
     16      -7.8223      2.00000
     17      -5.3231      2.00000
     18      -4.3984      2.00000
     19      -4.3838      2.00000
     20      -3.7819      2.00000
     21       1.1143      0.00000
     22       1.1593      0.00000
     23       2.2990      0.00000
     24       2.4449      0.00000
     25       2.7408      0.00000
     26       2.9354      0.00000
     27       3.0740      0.00000
     28       3.1186      0.00000

 k-point   593 :       0.2174   -0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.9506      2.00000
      2     -22.8011      2.00000
      3     -21.4000      2.00000
      4     -19.9742      2.00000
      5     -17.0003      2.00000
      6     -15.6986      2.00000
      7     -14.2399      2.00000
      8     -12.9790      2.00000
      9     -12.4659      2.00000
     10     -11.6660      2.00000
     11     -11.5677      2.00000
     12      -9.7978      2.00000
     13      -9.4805      2.00000
     14      -9.2450      2.00000
     15      -8.9502      2.00000
     16      -7.9500      2.00000
     17      -5.3109      2.00000
     18      -4.5355      2.00000
     19      -4.4978      2.00000
     20      -3.8958      2.00000
     21       1.2356      0.00000
     22       1.2758      0.00000
     23       2.4558      0.00000
     24       2.5855      0.00000
     25       2.8719      0.00000
     26       3.0476      0.00000
     27       3.1204      0.00000
     28       3.2099      0.00000

 k-point   594 :       0.2609   -0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.8103      2.00000
      2     -22.6730      2.00000
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     10     -11.7740      2.00000
     11     -11.4226      2.00000
     12      -9.7470      2.00000
     13      -9.5481      2.00000
     14      -9.2419      2.00000
     15      -8.8666      2.00000
     16      -8.1095      2.00000
     17      -5.2839      2.00000
     18      -4.6878      2.00000
     19      -4.6316      2.00000
     20      -4.0237      2.00000
     21       1.3868      0.00000
     22       1.4209      0.00000
     23       2.6464      0.00000
     24       2.7566      0.00000
     25       3.0149      0.00000
     26       3.0701      0.00000
     27       3.2202      0.00000
     28       3.3572      0.00000

 k-point   595 :       0.3043   -0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.6452      2.00000
      2     -22.5231      2.00000
      3     -22.1385      2.00000
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     10     -11.9011      2.00000
     11     -11.1398      2.00000
     12      -9.7020      2.00000
     13      -9.6518      2.00000
     14      -9.2460      2.00000
     15      -8.7922      2.00000
     16      -8.2906      2.00000
     17      -5.2404      2.00000
     18      -4.8399      2.00000
     19      -4.7811      2.00000
     20      -4.1611      2.00000
     21       1.5671      0.00000
     22       1.5970      0.00000
     23       2.8679      0.00000
     24       2.9394      0.00000
     25       2.9780      0.00000
     26       3.2376      0.00000
     27       3.4083      0.00000
     28       3.5478      0.00000

 k-point   596 :       0.3478   -0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.4555      2.00000
      2     -22.4941      2.00000
      3     -22.3521      2.00000
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     10     -11.6694      2.00000
     11     -10.8729      2.00000
     12      -9.7329      2.00000
     13      -9.7019      2.00000
     14      -9.2438      2.00000
     15      -8.7643      2.00000
     16      -8.4758      2.00000
     17      -5.1790      2.00000
     18      -4.9808      2.00000
     19      -4.9319      2.00000
     20      -4.3045      2.00000
     21       1.7747      0.00000
     22       1.8057      0.00000
     23       2.8742      0.00000
     24       3.1270      0.00000
     25       3.2043      0.00000
     26       3.4572      0.00000
     27       3.6107      0.00000
     28       3.7645      0.00000

 k-point   597 :       0.3913   -0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.2416      2.00000
      2     -22.8348      2.00000
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     10     -11.4541      2.00000
     11     -10.7195      2.00000
     12      -9.8037      2.00000
     13      -9.7112      2.00000
     14      -9.2053      2.00000
     15      -8.8019      2.00000
     16      -8.6452      2.00000
     17      -5.0996      2.00000
     18      -5.0981      2.00000
     19      -5.0660      2.00000
     20      -4.4514      2.00000
     21       2.0062      0.00000
     22       2.0463      0.00000
     23       2.8516      0.00000
     24       3.3764      0.00000
     25       3.4591      0.00000
     26       3.5590      0.00000
     27       3.7463      0.00000
     28       3.8195      0.00000

 k-point   598 :       0.4348   -0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.0042      2.00000
      2     -23.1578      2.00000
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     10     -11.0973      2.00000
     11     -10.7384      2.00000
     12     -10.0247      2.00000
     13      -9.5459      2.00000
     14      -9.1261      2.00000
     15      -8.9113      2.00000
     16      -8.7890      2.00000
     17      -5.1849      2.00000
     18      -5.1671      2.00000
     19      -4.9975      2.00000
     20      -4.5988      2.00000
     21       2.2568      0.00000
     22       2.3158      0.00000
     23       2.8541      0.00000
     24       3.2189      0.00000
     25       3.5001      0.00000
     26       3.7357      0.00000
     27       3.8134      0.00000
     28       3.9457      0.00000

 k-point   599 :       0.4783   -0.2857    0.3333
  band No.  band energies     occupation 
      1     -23.7438      2.00000
      2     -23.4613      2.00000
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     10     -10.8700      2.00000
     11     -10.7043      2.00000
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     13      -9.3115      2.00000
     14      -9.0877      2.00000
     15      -9.0247      2.00000
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     17      -5.2275      2.00000
     18      -5.2235      2.00000
     19      -4.8780      2.00000
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     21       2.5170      0.00000
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     23       2.7504      0.00000
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     25       3.4579      0.00000
     26       3.6469      0.00000
     27       4.0338      0.00000
     28       4.2003      0.00000

 k-point   600 :      -0.4783   -0.2857    0.3333
  band No.  band energies     occupation 
      1     -23.7438      2.00000
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     10     -10.8699      2.00000
     11     -10.7041      2.00000
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     13      -9.3129      2.00000
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     15      -9.0253      2.00000
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     17      -5.2305      2.00000
     18      -5.2206      2.00000
     19      -4.8768      2.00000
     20      -4.7436      2.00000
     21       2.5171      0.00000
     22       2.6093      0.00000
     23       2.7505      0.00000
     24       2.9170      0.00000
     25       3.4578      0.00000
     26       3.6469      0.00000
     27       4.0343      0.00000
     28       4.1883      0.00000

 k-point   601 :      -0.4348   -0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.0042      2.00000
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     10     -11.0973      2.00000
     11     -10.7384      2.00000
     12     -10.0253      2.00000
     13      -9.5473      2.00000
     14      -9.1265      2.00000
     15      -8.9102      2.00000
     16      -8.7883      2.00000
     17      -5.1878      2.00000
     18      -5.1644      2.00000
     19      -4.9963      2.00000
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     21       2.2570      0.00000
     22       2.3160      0.00000
     23       2.8543      0.00000
     24       3.2186      0.00000
     25       3.4999      0.00000
     26       3.7360      0.00000
     27       3.8136      0.00000
     28       3.9456      0.00000

 k-point   602 :      -0.3913   -0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.2416      2.00000
      2     -22.8348      2.00000
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     10     -11.4539      2.00000
     11     -10.7198      2.00000
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     13      -9.7125      2.00000
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     17      -5.1021      2.00000
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     19      -5.0637      2.00000
     20      -4.4525      2.00000
     21       2.0065      0.00000
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     23       2.8518      0.00000
     24       3.3766      0.00000
     25       3.4591      0.00000
     26       3.5586      0.00000
     27       3.7460      0.00000
     28       3.8199      0.00000

 k-point   603 :      -0.3478   -0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.4555      2.00000
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     10     -11.6690      2.00000
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     17      -5.1776      2.00000
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     19      -4.9301      2.00000
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     21       1.7750      0.00000
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     23       2.8744      0.00000
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     25       3.2044      0.00000
     26       3.4571      0.00000
     27       3.6106      0.00000
     28       3.7650      0.00000

 k-point   604 :      -0.3043   -0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.6452      2.00000
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     10     -11.9005      2.00000
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     15      -8.7916      2.00000
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     17      -5.2390      2.00000
     18      -4.8416      2.00000
     19      -4.7797      2.00000
     20      -4.1620      2.00000
     21       1.5674      0.00000
     22       1.5971      0.00000
     23       2.8678      0.00000
     24       2.9400      0.00000
     25       2.9777      0.00000
     26       3.2376      0.00000
     27       3.4081      0.00000
     28       3.5487      0.00000

 k-point   605 :      -0.2609   -0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.8103      2.00000
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     10     -11.7739      2.00000
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     13      -9.5480      2.00000
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     15      -8.8664      2.00000
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     17      -5.2826      2.00000
     18      -4.6893      2.00000
     19      -4.6303      2.00000
     20      -4.0246      2.00000
     21       1.3870      0.00000
     22       1.4209      0.00000
     23       2.6464      0.00000
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     25       3.0149      0.00000
     26       3.0705      0.00000
     27       3.2197      0.00000
     28       3.3583      0.00000

 k-point   606 :      -0.2174   -0.2857    0.3333
  band No.  band energies     occupation 
      1     -24.9506      2.00000
      2     -22.8011      2.00000
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     10     -11.6682      2.00000
     11     -11.5674      2.00000
     12      -9.7996      2.00000
     13      -9.4798      2.00000
     14      -9.2438      2.00000
     15      -8.9504      2.00000
     16      -7.9496      2.00000
     17      -5.3097      2.00000
     18      -4.5368      2.00000
     19      -4.4967      2.00000
     20      -3.8966      2.00000
     21       1.2359      0.00000
     22       1.2758      0.00000
     23       2.4558      0.00000
     24       2.5856      0.00000
     25       2.8719      0.00000
     26       3.0477      0.00000
     27       3.1201      0.00000
     28       3.2109      0.00000

 k-point   607 :      -0.1739   -0.2857    0.3333
  band No.  band energies     occupation 
      1     -25.0657      2.00000
      2     -22.9065      2.00000
      3     -21.0323      2.00000
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     10     -11.8603      2.00000
     11     -11.3748      2.00000
     12      -9.8393      2.00000
     13      -9.5002      2.00000
     14      -9.2523      2.00000
     15      -8.9878      2.00000
     16      -7.8220      2.00000
     17      -5.3221      2.00000
     18      -4.3993      2.00000
     19      -4.3831      2.00000
     20      -3.7825      2.00000
     21       1.1146      0.00000
     22       1.1593      0.00000
     23       2.2990      0.00000
     24       2.4449      0.00000
     25       2.7409      0.00000
     26       2.9352      0.00000
     27       3.0741      0.00000
     28       3.1192      0.00000

 k-point   608 :      -0.1304   -0.2857    0.3333
  band No.  band energies     occupation 
      1     -25.1554      2.00000
      2     -22.9890      2.00000
      3     -20.6841      2.00000
      4     -19.6296      2.00000
      5     -16.9510      2.00000
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      7     -13.6533      2.00000
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      9     -13.1014      2.00000
     10     -12.0115      2.00000
     11     -11.2171      2.00000
     12      -9.8623      2.00000
     13      -9.6057      2.00000
     14      -9.2617      2.00000
     15      -8.9669      2.00000
     16      -7.7295      2.00000
     17      -5.3230      2.00000
     18      -4.3119      2.00000
     19      -4.2665      2.00000
     20      -3.6874      2.00000
     21       1.0225      0.00000
     22       1.0695      0.00000
     23       2.1768      0.00000
     24       2.3343      0.00000
     25       2.6364      0.00000
     26       2.8398      0.00000
     27       2.9710      0.00000
     28       3.0811      0.00000

 k-point   609 :      -0.0870   -0.2857    0.3333
  band No.  band energies     occupation 
      1     -25.2196      2.00000
      2     -23.0482      2.00000
      3     -20.3813      2.00000
      4     -19.5215      2.00000
      5     -16.8898      2.00000
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      7     -13.4580      2.00000
      8     -13.4163      2.00000
      9     -13.3574      2.00000
     10     -12.1313      2.00000
     11     -11.1038      2.00000
     12      -9.8700      2.00000
     13      -9.7329      2.00000
     14      -9.2686      2.00000
     15      -8.9289      2.00000
     16      -7.6701      2.00000
     17      -5.3175      2.00000
     18      -4.2572      2.00000
     19      -4.1716      2.00000
     20      -3.6158      2.00000
     21       0.9585      0.00000
     22       1.0053      0.00000
     23       2.0894      0.00000
     24       2.2545      0.00000
     25       2.5600      0.00000
     26       2.7670      0.00000
     27       2.8608      0.00000
     28       3.0739      0.00000

 k-point   610 :      -0.0435   -0.2857    0.3333
  band No.  band energies     occupation 
      1     -25.2581      2.00000
      2     -23.0838      2.00000
      3     -20.1651      2.00000
      4     -19.4579      2.00000
      5     -17.0202      2.00000
      6     -16.8353      2.00000
      7     -13.5437      2.00000
      8     -13.5248      2.00000
      9     -13.2326      2.00000
     10     -12.2175      2.00000
     11     -11.0370      2.00000
     12      -9.8692      2.00000
     13      -9.8300      2.00000
     14      -9.2723      2.00000
     15      -8.9001      2.00000
     16      -7.6383      2.00000
     17      -5.3112      2.00000
     18      -4.2262      2.00000
     19      -4.1113      2.00000
     20      -3.5713      2.00000
     21       0.9209      0.00000
     22       0.9666      0.00000
     23       2.0369      0.00000
     24       2.2063      0.00000
     25       2.5136      0.00000
     26       2.7200      0.00000
     27       2.7839      0.00000
     28       3.0750      0.00000

 k-point   611 :       0.0000   -0.2381    0.3333
  band No.  band energies     occupation 
      1     -25.4062      2.00000
      2     -22.7727      2.00000
      3     -20.1852      2.00000
      4     -19.5794      2.00000
      5     -17.1451      2.00000
      6     -16.6405      2.00000
      7     -13.5162      2.00000
      8     -13.4423      2.00000
      9     -13.3503      2.00000
     10     -12.4569      2.00000
     11     -10.9616      2.00000
     12     -10.0755      2.00000
     13      -9.8418      2.00000
     14      -9.0848      2.00000
     15      -9.0191      2.00000
     16      -7.6197      2.00000
     17      -5.2883      2.00000
     18      -4.1634      2.00000
     19      -3.9748      2.00000
     20      -3.4439      2.00000
     21       0.7704      0.00000
     22       0.8208      0.00000
     23       1.8209      0.00000
     24       2.0112      0.00000
     25       2.3339      0.00000
     26       2.5878      0.00000
     27       2.6797      0.00000
     28       2.9368      0.00000

 k-point   612 :       0.0435   -0.2381    0.3333
  band No.  band energies     occupation 
      1     -25.3933      2.00000
      2     -22.7611      2.00000
      3     -20.2668      2.00000
      4     -19.5909      2.00000
      5     -17.0550      2.00000
      6     -16.6744      2.00000
      7     -13.5688      2.00000
      8     -13.3952      2.00000
      9     -13.3315      2.00000
     10     -12.4192      2.00000
     11     -10.9738      2.00000
     12     -10.0341      2.00000
     13      -9.8470      2.00000
     14      -9.0904      2.00000
     15      -9.0342      2.00000
     16      -7.6321      2.00000
     17      -5.2885      2.00000
     18      -4.1740      2.00000
     19      -3.9955      2.00000
     20      -3.4581      2.00000
     21       0.7823      0.00000
     22       0.8340      0.00000
     23       1.8384      0.00000
     24       2.0277      0.00000
     25       2.3496      0.00000
     26       2.6020      0.00000
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  band No.  band energies     occupation 
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  band No.  band energies     occupation 
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  band No.  band energies     occupation 
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 k-point   616 :       0.2174   -0.2381    0.3333
  band No.  band energies     occupation 
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 k-point   617 :       0.2609   -0.2381    0.3333
  band No.  band energies     occupation 
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  band No.  band energies     occupation 
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 k-point   619 :       0.3478   -0.2381    0.3333
  band No.  band energies     occupation 
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 k-point   620 :       0.3913   -0.2381    0.3333
  band No.  band energies     occupation 
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 k-point   621 :       0.4348   -0.2381    0.3333
  band No.  band energies     occupation 
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 k-point   622 :       0.4783   -0.2381    0.3333
  band No.  band energies     occupation 
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 k-point   623 :      -0.4783   -0.2381    0.3333
  band No.  band energies     occupation 
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 k-point   624 :      -0.4348   -0.2381    0.3333
  band No.  band energies     occupation 
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 k-point   625 :      -0.3913   -0.2381    0.3333
  band No.  band energies     occupation 
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 k-point   626 :      -0.3478   -0.2381    0.3333
  band No.  band energies     occupation 
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 k-point   627 :      -0.3043   -0.2381    0.3333
  band No.  band energies     occupation 
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 k-point   628 :      -0.2609   -0.2381    0.3333
  band No.  band energies     occupation 
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 k-point   629 :      -0.2174   -0.2381    0.3333
  band No.  band energies     occupation 
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 k-point   630 :      -0.1739   -0.2381    0.3333
  band No.  band energies     occupation 
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 k-point   631 :      -0.1304   -0.2381    0.3333
  band No.  band energies     occupation 
      1     -25.2903      2.00000
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 k-point   632 :      -0.0870   -0.2381    0.3333
  band No.  band energies     occupation 
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  band No.  band energies     occupation 
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 k-point   634 :       0.0000   -0.1905    0.3333
  band No.  band energies     occupation 
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 k-point   635 :       0.0435   -0.1905    0.3333
  band No.  band energies     occupation 
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 k-point   636 :       0.0870   -0.1905    0.3333
  band No.  band energies     occupation 
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 k-point   637 :       0.1304   -0.1905    0.3333
  band No.  band energies     occupation 
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 k-point   638 :       0.1739   -0.1905    0.3333
  band No.  band energies     occupation 
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 k-point   639 :       0.2174   -0.1905    0.3333
  band No.  band energies     occupation 
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 k-point   640 :       0.2609   -0.1905    0.3333
  band No.  band energies     occupation 
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 k-point   641 :       0.3043   -0.1905    0.3333
  band No.  band energies     occupation 
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 k-point   642 :       0.3478   -0.1905    0.3333
  band No.  band energies     occupation 
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 k-point   643 :       0.3913   -0.1905    0.3333
  band No.  band energies     occupation 
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 k-point   644 :       0.4348   -0.1905    0.3333
  band No.  band energies     occupation 
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 k-point   645 :       0.4783   -0.1905    0.3333
  band No.  band energies     occupation 
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 k-point   646 :      -0.4783   -0.1905    0.3333
  band No.  band energies     occupation 
      1     -23.9804      2.00000
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 k-point   647 :      -0.4348   -0.1905    0.3333
  band No.  band energies     occupation 
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 k-point   648 :      -0.3913   -0.1905    0.3333
  band No.  band energies     occupation 
      1     -24.4818      2.00000
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     21       1.7366      0.00000
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     27       3.5055      0.00000
     28       3.5922      0.00000

 k-point   649 :      -0.3478   -0.1905    0.3333
  band No.  band energies     occupation 
      1     -24.6971      2.00000
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     17      -4.9165      2.00000
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     27       3.4716      0.00000
     28       3.7608      0.00000

 k-point   650 :      -0.3043   -0.1905    0.3333
  band No.  band energies     occupation 
      1     -24.8880      2.00000
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 k-point   651 :      -0.2609   -0.1905    0.3333
  band No.  band energies     occupation 
      1     -25.0542      2.00000
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     21       1.1205      0.00000
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     23       2.2903      0.00000
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  band No.  band energies     occupation 
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  band No.  band energies     occupation 
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  band No.  band energies     occupation 
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 k-point   655 :      -0.0870   -0.1905    0.3333
  band No.  band energies     occupation 
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 k-point   656 :      -0.0435   -0.1905    0.3333
  band No.  band energies     occupation 
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 k-point   657 :       0.0000   -0.1429    0.3333
  band No.  band energies     occupation 
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 k-point   658 :       0.0435   -0.1429    0.3333
  band No.  band energies     occupation 
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 k-point   659 :       0.0870   -0.1429    0.3333
  band No.  band energies     occupation 
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 k-point   660 :       0.1304   -0.1429    0.3333
  band No.  band energies     occupation 
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 k-point   661 :       0.1739   -0.1429    0.3333
  band No.  band energies     occupation 
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 k-point   662 :       0.2174   -0.1429    0.3333
  band No.  band energies     occupation 
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 k-point   663 :       0.2609   -0.1429    0.3333
  band No.  band energies     occupation 
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 k-point   664 :       0.3043   -0.1429    0.3333
  band No.  band energies     occupation 
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 k-point   665 :       0.3478   -0.1429    0.3333
  band No.  band energies     occupation 
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 k-point   666 :       0.3913   -0.1429    0.3333
  band No.  band energies     occupation 
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 k-point   667 :       0.4348   -0.1429    0.3333
  band No.  band energies     occupation 
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     27       3.4650      0.00000
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 k-point   668 :       0.4783   -0.1429    0.3333
  band No.  band energies     occupation 
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     25       3.2068      0.00000
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 k-point   669 :      -0.4783   -0.1429    0.3333
  band No.  band energies     occupation 
      1     -24.0640      2.00000
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 k-point   670 :      -0.4348   -0.1429    0.3333
  band No.  band energies     occupation 
      1     -24.3269      2.00000
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 k-point   671 :      -0.3913   -0.1429    0.3333
  band No.  band energies     occupation 
      1     -24.5666      2.00000
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 k-point   672 :      -0.3478   -0.1429    0.3333
  band No.  band energies     occupation 
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 k-point   673 :      -0.3043   -0.1429    0.3333
  band No.  band energies     occupation 
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 k-point   674 :      -0.2609   -0.1429    0.3333
  band No.  band energies     occupation 
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 k-point   675 :      -0.2174   -0.1429    0.3333
  band No.  band energies     occupation 
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 k-point   676 :      -0.1739   -0.1429    0.3333
  band No.  band energies     occupation 
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 k-point   677 :      -0.1304   -0.1429    0.3333
  band No.  band energies     occupation 
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 k-point   678 :      -0.0870   -0.1429    0.3333
  band No.  band energies     occupation 
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 k-point   679 :      -0.0435   -0.1429    0.3333
  band No.  band energies     occupation 
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 k-point   680 :       0.0000   -0.0952    0.3333
  band No.  band energies     occupation 
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 k-point   681 :       0.0435   -0.0952    0.3333
  band No.  band energies     occupation 
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 k-point   682 :       0.0870   -0.0952    0.3333
  band No.  band energies     occupation 
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 k-point   683 :       0.1304   -0.0952    0.3333
  band No.  band energies     occupation 
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 k-point   684 :       0.1739   -0.0952    0.3333
  band No.  band energies     occupation 
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 k-point   685 :       0.2174   -0.0952    0.3333
  band No.  band energies     occupation 
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 k-point   686 :       0.2609   -0.0952    0.3333
  band No.  band energies     occupation 
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     27       3.2007      0.00000
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 k-point   687 :       0.3043   -0.0952    0.3333
  band No.  band energies     occupation 
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 k-point   688 :       0.3478   -0.0952    0.3333
  band No.  band energies     occupation 
      1     -24.8435      2.00000
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 k-point   689 :       0.3913   -0.0952    0.3333
  band No.  band energies     occupation 
      1     -24.6274      2.00000
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 k-point   690 :       0.4348   -0.0952    0.3333
  band No.  band energies     occupation 
      1     -24.3873      2.00000
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     25       3.1888      0.00000
     26       3.2299      0.00000
     27       3.4005      0.00000
     28       3.4837      0.00000

 k-point   691 :       0.4783   -0.0952    0.3333
  band No.  band energies     occupation 
      1     -24.1239      2.00000
      2     -23.8379      2.00000
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     11     -10.9095      2.00000
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     15      -8.9982      2.00000
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     17      -5.1124      2.00000
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     19      -4.3494      2.00000
     20      -4.2267      2.00000
     21       2.1009      0.00000
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     23       2.4640      0.00000
     24       2.8168      0.00000
     25       3.1565      0.00000
     26       3.2667      0.00000
     27       3.5810      0.00000
     28       3.7608      0.00000

 k-point   692 :      -0.4783   -0.0952    0.3333
  band No.  band energies     occupation 
      1     -24.1239      2.00000
      2     -23.8379      2.00000
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     10     -11.4745      2.00000
     11     -10.9098      2.00000
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     13      -9.1677      2.00000
     14      -9.0938      2.00000
     15      -8.9979      2.00000
     16      -8.9807      2.00000
     17      -5.1122      2.00000
     18      -5.0824      2.00000
     19      -4.3488      2.00000
     20      -4.2273      2.00000
     21       2.1010      0.00000
     22       2.3716      0.00000
     23       2.4641      0.00000
     24       2.8167      0.00000
     25       3.1561      0.00000
     26       3.2670      0.00000
     27       3.5811      0.00000
     28       3.7607      0.00000

 k-point   693 :      -0.4348   -0.0952    0.3333
  band No.  band energies     occupation 
      1     -24.3873      2.00000
      2     -23.5304      2.00000
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     10     -11.2438      2.00000
     11     -11.0722      2.00000
     12     -10.4895      2.00000
     13      -9.3109      2.00000
     14      -9.2757      2.00000
     15      -8.9494      2.00000
     16      -8.8218      2.00000
     17      -5.0878      2.00000
     18      -5.0048      2.00000
     19      -4.4696      2.00000
     20      -4.1041      2.00000
     21       1.8330      0.00000
     22       2.1365      0.00000
     23       2.6299      0.00000
     24       3.1411      0.00000
     25       3.1886      0.00000
     26       3.2300      0.00000
     27       3.4005      0.00000
     28       3.4840      0.00000

 k-point   694 :      -0.3913   -0.0952    0.3333
  band No.  band energies     occupation 
      1     -24.6274      2.00000
      2     -23.2027      2.00000
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     10     -11.1329      2.00000
     11     -11.0278      2.00000
     12     -10.3165      2.00000
     13      -9.5067      2.00000
     14      -9.3978      2.00000
     15      -9.0004      2.00000
     16      -8.6515      2.00000
     17      -5.0096      2.00000
     18      -4.8882      2.00000
     19      -4.5880      2.00000
     20      -3.9794      2.00000
     21       1.5791      0.00000
     22       1.8374      0.00000
     23       2.8429      0.00000
     24       2.8812      0.00000
     25       3.0615      0.00000
     26       3.2651      0.00000
     27       3.4395      0.00000
     28       3.5668      0.00000

 k-point   695 :      -0.3478   -0.0952    0.3333
  band No.  band energies     occupation 
      1     -24.8435      2.00000
      2     -22.8567      2.00000
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     10     -11.0789      2.00000
     11     -10.8584      2.00000
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     13      -9.7453      2.00000
     14      -9.3960      2.00000
     15      -9.1275      2.00000
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     17      -4.8854      2.00000
     18      -4.7428      2.00000
     19      -4.7016      2.00000
     20      -3.8536      2.00000
     21       1.3474      0.00000
     22       1.5692      0.00000
     23       2.5670      0.00000
     24       2.7666      0.00000
     25       3.0049      0.00000
     26       3.1313      0.00000
     27       3.4358      0.00000
     28       3.5307      0.00000

 k-point   696 :      -0.3043   -0.0952    0.3333
  band No.  band energies     occupation 
      1     -25.0351      2.00000
      2     -22.4949      2.00000
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     10     -10.9809      2.00000
     11     -10.8143      2.00000
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     13      -9.9044      2.00000
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     17      -4.8072      2.00000
     18      -4.7307      2.00000
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     20      -3.7287      2.00000
     21       1.1431      0.00000
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     23       2.3033      0.00000
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     25       2.8142      0.00000
     26       3.1548      0.00000
     27       3.2498      0.00000
     28       3.6264      0.00000

 k-point   697 :      -0.2609   -0.0952    0.3333
  band No.  band energies     occupation 
      1     -25.2018      2.00000
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     10     -10.9739      2.00000
     11     -10.9091      2.00000
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     13      -9.9029      2.00000
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     17      -4.9012      2.00000
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     20      -3.6083      2.00000
     21       0.9688      0.00000
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     23       2.0745      0.00000
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     25       2.6010      0.00000
     26       2.9898      0.00000
     27       3.2011      0.00000
     28       3.4742      0.00000

 k-point   698 :      -0.2174   -0.0952    0.3333
  band No.  band energies     occupation 
      1     -25.3433      2.00000
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     10     -11.2662      2.00000
     11     -10.8877      2.00000
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     25       2.4183      0.00000
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     27       3.1109      0.00000
     28       3.2601      0.00000

 k-point   699 :      -0.1739   -0.0952    0.3333
  band No.  band energies     occupation 
      1     -25.4595      2.00000
      2     -21.6291      2.00000
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     10     -11.5949      2.00000
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     13     -10.0267      2.00000
     14      -9.5845      2.00000
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     17      -5.0442      2.00000
     18      -4.2780      2.00000
     19      -4.0824      2.00000
     20      -3.3994      2.00000
     21       0.7120      0.00000
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     23       1.7227      0.00000
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     25       2.2691      0.00000
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     27       2.9845      0.00000
     28       3.0468      0.00000

 k-point   700 :      -0.1304   -0.0952    0.3333
  band No.  band energies     occupation 
      1     -25.5500      2.00000
      2     -21.7005      2.00000
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     10     -11.9081      2.00000
     11     -10.9336      2.00000
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     13      -9.9677      2.00000
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     15      -8.7816      2.00000
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     17      -5.0911      2.00000
     18      -4.1787      2.00000
     19      -3.9484      2.00000
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     21       0.6275      0.00000
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     23       1.5998      0.00000
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     25       2.1537      0.00000
     26       2.5683      0.00000
     27       2.8317      0.00000
     28       2.8642      0.00000

 k-point   701 :      -0.0870   -0.0952    0.3333
  band No.  band energies     occupation 
      1     -25.6147      2.00000
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     11     -10.9630      2.00000
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     13      -9.9241      2.00000
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     17      -5.1226      2.00000
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     19      -3.8452      2.00000
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     21       0.5695      0.00000
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     23       1.5122      0.00000
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     25       2.0719      0.00000
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     27       2.6854      0.00000
     28       2.7226      0.00000

 k-point   702 :      -0.0435   -0.0952    0.3333
  band No.  band energies     occupation 
      1     -25.6536      2.00000
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     11     -10.9832      2.00000
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     13      -9.8983      2.00000
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     17      -5.1404      2.00000
     18      -4.0760      2.00000
     19      -3.7800      2.00000
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     21       0.5357      0.00000
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     23       1.4596      0.00000
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     25       2.0230      0.00000
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     27       2.5905      0.00000
     28       2.6246      0.00000

 k-point   703 :       0.0000   -0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.7040      2.00000
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     10     -12.2803      2.00000
     11     -11.0177      2.00000
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     13      -9.9118      2.00000
     14      -9.3017      2.00000
     15      -8.5104      2.00000
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     17      -5.1127      2.00000
     18      -4.0502      2.00000
     19      -3.7320      2.00000
     20      -3.1786      2.00000
     21       0.4923      0.00000
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     23       1.3881      0.00000
     24       1.6180      0.00000
     25       1.9587      0.00000
     26       2.4074      0.00000
     27       2.4944      0.00000
     28       2.6362      0.00000

 k-point   704 :       0.0435   -0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.6910      2.00000
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     10     -12.2138      2.00000
     11     -11.0078      2.00000
     12     -10.9105      2.00000
     13      -9.9202      2.00000
     14      -9.3249      2.00000
     15      -8.5348      2.00000
     16      -7.7082      2.00000
     17      -5.1062      2.00000
     18      -4.0619      2.00000
     19      -3.7547      2.00000
     20      -3.1903      2.00000
     21       0.5032      0.00000
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     23       1.4056      0.00000
     24       1.6350      0.00000
     25       1.9750      0.00000
     26       2.4241      0.00000
     27       2.5314      0.00000
     28       2.6712      0.00000

 k-point   705 :       0.0870   -0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.6521      2.00000
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     10     -12.0295      2.00000
     11     -10.9789      2.00000
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     13      -9.9464      2.00000
     14      -9.3925      2.00000
     15      -8.6058      2.00000
     16      -7.7638      2.00000
     17      -5.0859      2.00000
     18      -4.0990      2.00000
     19      -3.8210      2.00000
     20      -3.2250      2.00000
     21       0.5365      0.00000
     22       0.6240      0.00000
     23       1.4581      0.00000
     24       1.6862      0.00000
     25       2.0239      0.00000
     26       2.4723      0.00000
     27       2.6411      0.00000
     28       2.7633      0.00000

 k-point   706 :       0.1304   -0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.5873      2.00000
      2     -21.4273      2.00000
      3     -21.0373      2.00000
      4     -20.4591      2.00000
      5     -16.5145      2.00000
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     10     -11.7615      2.00000
     11     -10.9326      2.00000
     12     -10.5521      2.00000
     13      -9.9930      2.00000
     14      -9.4986      2.00000
     15      -8.7168      2.00000
     16      -7.8499      2.00000
     17      -5.0508      2.00000
     18      -4.1661      2.00000
     19      -3.9260      2.00000
     20      -3.2819      2.00000
     21       0.5938      0.00000
     22       0.6973      0.00000
     23       1.5458      0.00000
     24       1.7717      0.00000
     25       2.1060      0.00000
     26       2.5514      0.00000
     27       2.8153      0.00000
     28       2.8775      0.00000

 k-point   707 :       0.1739   -0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.4967      2.00000
      2     -21.3962      2.00000
      3     -21.3602      2.00000
      4     -20.4262      2.00000
      5     -16.3284      2.00000
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      8     -13.0969      2.00000
      9     -12.5026      2.00000
     10     -11.4484      2.00000
     11     -10.8730      2.00000
     12     -10.2898      2.00000
     13     -10.0627      2.00000
     14      -9.6317      2.00000
     15      -8.8582      2.00000
     16      -7.9584      2.00000
     17      -4.9995      2.00000
     18      -4.2671      2.00000
     19      -4.0623      2.00000
     20      -3.3592      2.00000
     21       0.6775      0.00000
     22       0.8016      0.00000
     23       1.6687      0.00000
     24       1.8918      0.00000
     25       2.2216      0.00000
     26       2.6622      0.00000
     27       2.9824      0.00000
     28       3.0477      0.00000

 k-point   708 :       0.2174   -0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.3805      2.00000
      2     -21.7738      2.00000
      3     -21.2760      2.00000
      4     -20.3905      2.00000
      5     -16.5813      2.00000
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      8     -12.9508      2.00000
      9     -12.4095      2.00000
     10     -11.1317      2.00000
     11     -10.8090      2.00000
     12     -10.1548      2.00000
     13     -10.0138      2.00000
     14      -9.7629      2.00000
     15      -9.0184      2.00000
     16      -8.0809      2.00000
     17      -4.9314      2.00000
     18      -4.4009      2.00000
     19      -4.2208      2.00000
     20      -3.4541      2.00000
     21       0.7898      0.00000
     22       0.9384      0.00000
     23       1.8269      0.00000
     24       2.0467      0.00000
     25       2.3712      0.00000
     26       2.8051      0.00000
     27       3.0959      0.00000
     28       3.2984      0.00000

 k-point   709 :       0.2609   -0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.2388      2.00000
      2     -22.1545      2.00000
      3     -21.1765      2.00000
      4     -20.3574      2.00000
      5     -16.8181      2.00000
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      8     -12.7910      2.00000
      9     -12.3033      2.00000
     10     -10.8754      2.00000
     11     -10.7606      2.00000
     12     -10.2586      2.00000
     13      -9.9005      2.00000
     14      -9.6899      2.00000
     15      -9.1825      2.00000
     16      -8.2116      2.00000
     17      -4.8473      2.00000
     18      -4.5594      2.00000
     19      -4.3919      2.00000
     20      -3.5626      2.00000
     21       0.9323      0.00000
     22       1.1088      0.00000
     23       2.0204      0.00000
     24       2.2368      0.00000
     25       2.5546      0.00000
     26       2.9794      0.00000
     27       3.2011      0.00000
     28       3.5299      0.00000

 k-point   710 :       0.3043   -0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.0720      2.00000
      2     -22.5289      2.00000
      3     -21.0641      2.00000
      4     -20.3339      2.00000
      5     -17.0222      2.00000
      6     -16.3556      2.00000
      7     -14.5487      2.00000
      8     -12.6165      2.00000
      9     -12.1928      2.00000
     10     -10.7849      2.00000
     11     -10.7673      2.00000
     12     -10.3458      2.00000
     13      -9.8509      2.00000
     14      -9.4392      2.00000
     15      -9.3284      2.00000
     16      -8.3494      2.00000
     17      -4.7492      2.00000
     18      -4.7269      2.00000
     19      -4.5654      2.00000
     20      -3.6803      2.00000
     21       1.1057      0.00000
     22       1.3134      0.00000
     23       2.2493      0.00000
     24       2.4619      0.00000
     25       2.7699      0.00000
     26       3.1663      0.00000
     27       3.2813      0.00000
     28       3.5315      0.00000

 k-point   711 :       0.3478   -0.0476    0.3333
  band No.  band energies     occupation 
      1     -24.8802      2.00000
      2     -22.8912      2.00000
      3     -20.9422      2.00000
      4     -20.3280      2.00000
      5     -17.1795      2.00000
      6     -16.6150      2.00000
      7     -14.0413      2.00000
      8     -12.4269      2.00000
      9     -12.0973      2.00000
     10     -10.8836      2.00000
     11     -10.8513      2.00000
     12     -10.4063      2.00000
     13      -9.6600      2.00000
     14      -9.4215      2.00000
     15      -9.2217      2.00000
     16      -8.4969      2.00000
     17      -4.8832      2.00000
     18      -4.7310      2.00000
     19      -4.6402      2.00000
     20      -3.8024      2.00000
     21       1.3093      0.00000
     22       1.5519      0.00000
     23       2.5132      0.00000
     24       2.7214      0.00000
     25       3.0004      0.00000
     26       3.1628      0.00000
     27       3.3593      0.00000
     28       3.4834      0.00000

 k-point   712 :       0.3913   -0.0476    0.3333
  band No.  band energies     occupation 
      1     -24.6639      2.00000
      2     -23.2377      2.00000
      3     -20.8155      2.00000
      4     -20.3468      2.00000
      5     -17.2789      2.00000
      6     -16.8459      2.00000
      7     -13.5537      2.00000
      8     -12.2225      2.00000
      9     -12.0580      2.00000
     10     -11.0766      2.00000
     11     -10.9539      2.00000
     12     -10.4898      2.00000
     13      -9.4259      2.00000
     14      -9.4240      2.00000
     15      -9.0635      2.00000
     16      -8.6579      2.00000
     17      -5.0079      2.00000
     18      -4.8783      2.00000
     19      -4.5244      2.00000
     20      -3.9252      2.00000
     21       1.5406      0.00000
     22       1.8232      0.00000
     23       2.8096      0.00000
     24       2.8950      0.00000
     25       3.0137      0.00000
     26       3.1893      0.00000
     27       3.3954      0.00000
     28       3.5855      0.00000

 k-point   713 :       0.4348   -0.0476    0.3333
  band No.  band energies     occupation 
      1     -24.4236      2.00000
      2     -23.5658      2.00000
      3     -20.6897      2.00000
      4     -20.3947      2.00000
      5     -17.3134      2.00000
      6     -17.0399      2.00000
      7     -13.0991      2.00000
      8     -12.1373      2.00000
      9     -12.0048      2.00000
     10     -11.3034      2.00000
     11     -10.9862      2.00000
     12     -10.6220      2.00000
     13      -9.3390      2.00000
     14      -9.2125      2.00000
     15      -8.9795      2.00000
     16      -8.8329      2.00000
     17      -5.0855      2.00000
     18      -4.9969      2.00000
     19      -4.4054      2.00000
     20      -4.0465      2.00000
     21       1.7948      0.00000
     22       2.1256      0.00000
     23       2.6184      0.00000
     24       3.0947      0.00000
     25       3.1825      0.00000
     26       3.1947      0.00000
     27       3.3606      0.00000
     28       3.4338      0.00000

 k-point   714 :       0.4783   -0.0476    0.3333
  band No.  band energies     occupation 
      1     -24.1600      2.00000
      2     -23.8737      2.00000
      3     -20.5723      2.00000
      4     -20.4715      2.00000
      5     -17.2817      2.00000
      6     -17.1882      2.00000
      7     -12.6934      2.00000
      8     -12.3605      2.00000
      9     -11.7761      2.00000
     10     -11.5403      2.00000
     11     -10.9149      2.00000
     12     -10.7775      2.00000
     13      -9.1917      2.00000
     14      -9.0576      2.00000
     15      -9.0156      2.00000
     16      -8.9776      2.00000
     17      -5.1085      2.00000
     18      -5.0765      2.00000
     19      -4.2859      2.00000
     20      -4.1663      2.00000
     21       2.0642      0.00000
     22       2.3403      0.00000
     23       2.4572      0.00000
     24       2.8151      0.00000
     25       3.1256      0.00000
     26       3.2274      0.00000
     27       3.5275      0.00000
     28       3.7211      0.00000

 k-point   715 :      -0.4783   -0.0476    0.3333
  band No.  band energies     occupation 
      1     -24.1600      2.00000
      2     -23.8737      2.00000
      3     -20.5724      2.00000
      4     -20.4714      2.00000
      5     -17.2821      2.00000
      6     -17.1878      2.00000
      7     -12.6937      2.00000
      8     -12.3601      2.00000
      9     -11.7761      2.00000
     10     -11.5402      2.00000
     11     -10.9152      2.00000
     12     -10.7773      2.00000
     13      -9.1919      2.00000
     14      -9.0583      2.00000
     15      -9.0154      2.00000
     16      -8.9769      2.00000
     17      -5.1083      2.00000
     18      -5.0766      2.00000
     19      -4.2856      2.00000
     20      -4.1666      2.00000
     21       2.0642      0.00000
     22       2.3404      0.00000
     23       2.4573      0.00000
     24       2.8151      0.00000
     25       3.1254      0.00000
     26       3.2277      0.00000
     27       3.5275      0.00000
     28       3.7210      0.00000

 k-point   716 :      -0.4348   -0.0476    0.3333
  band No.  band energies     occupation 
      1     -24.4236      2.00000
      2     -23.5658      2.00000
      3     -20.6898      2.00000
      4     -20.3946      2.00000
      5     -17.3138      2.00000
      6     -17.0395      2.00000
      7     -13.0993      2.00000
      8     -12.1368      2.00000
      9     -12.0048      2.00000
     10     -11.3033      2.00000
     11     -10.9865      2.00000
     12     -10.6220      2.00000
     13      -9.3391      2.00000
     14      -9.2133      2.00000
     15      -8.9788      2.00000
     16      -8.8327      2.00000
     17      -5.0854      2.00000
     18      -4.9971      2.00000
     19      -4.4051      2.00000
     20      -4.0468      2.00000
     21       1.7948      0.00000
     22       2.1257      0.00000
     23       2.6186      0.00000
     24       3.0945      0.00000
     25       3.1826      0.00000
     26       3.1946      0.00000
     27       3.3605      0.00000
     28       3.4340      0.00000

 k-point   717 :      -0.3913   -0.0476    0.3333
  band No.  band energies     occupation 
      1     -24.6639      2.00000
      2     -23.2377      2.00000
      3     -20.8155      2.00000
      4     -20.3467      2.00000
      5     -17.2793      2.00000
      6     -16.8454      2.00000
      7     -13.5538      2.00000
      8     -12.2226      2.00000
      9     -12.0576      2.00000
     10     -11.0765      2.00000
     11     -10.9540      2.00000
     12     -10.4901      2.00000
     13      -9.4258      2.00000
     14      -9.4250      2.00000
     15      -9.0628      2.00000
     16      -8.6577      2.00000
     17      -5.0078      2.00000
     18      -4.8785      2.00000
     19      -4.5240      2.00000
     20      -3.9255      2.00000
     21       1.5407      0.00000
     22       1.8232      0.00000
     23       2.8096      0.00000
     24       2.8953      0.00000
     25       3.0138      0.00000
     26       3.1888      0.00000
     27       3.3955      0.00000
     28       3.5854      0.00000

 k-point   718 :      -0.3478   -0.0476    0.3333
  band No.  band energies     occupation 
      1     -24.8802      2.00000
      2     -22.8912      2.00000
      3     -20.9423      2.00000
      4     -20.3279      2.00000
      5     -17.1799      2.00000
      6     -16.6145      2.00000
      7     -14.0413      2.00000
      8     -12.4269      2.00000
      9     -12.0970      2.00000
     10     -10.8835      2.00000
     11     -10.8511      2.00000
     12     -10.4069      2.00000
     13      -9.6609      2.00000
     14      -9.4215      2.00000
     15      -9.2210      2.00000
     16      -8.4966      2.00000
     17      -4.8831      2.00000
     18      -4.7312      2.00000
     19      -4.6399      2.00000
     20      -3.8027      2.00000
     21       1.3094      0.00000
     22       1.5519      0.00000
     23       2.5132      0.00000
     24       2.7214      0.00000
     25       3.0004      0.00000
     26       3.1635      0.00000
     27       3.3590      0.00000
     28       3.4829      0.00000

 k-point   719 :      -0.3043   -0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.0720      2.00000
      2     -22.5289      2.00000
      3     -21.0641      2.00000
      4     -20.3339      2.00000
      5     -17.0226      2.00000
      6     -16.3552      2.00000
      7     -14.5487      2.00000
      8     -12.6166      2.00000
      9     -12.1926      2.00000
     10     -10.7848      2.00000
     11     -10.7667      2.00000
     12     -10.3467      2.00000
     13      -9.8517      2.00000
     14      -9.4384      2.00000
     15      -9.3284      2.00000
     16      -8.3492      2.00000
     17      -4.7489      2.00000
     18      -4.7268      2.00000
     19      -4.5656      2.00000
     20      -3.6805      2.00000
     21       1.1058      0.00000
     22       1.3134      0.00000
     23       2.2493      0.00000
     24       2.4619      0.00000
     25       2.7699      0.00000
     26       3.1668      0.00000
     27       3.2816      0.00000
     28       3.5307      0.00000

 k-point   720 :      -0.2609   -0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.2388      2.00000
      2     -22.1545      2.00000
      3     -21.1765      2.00000
      4     -20.3573      2.00000
      5     -16.8185      2.00000
      6     -16.0756      2.00000
      7     -15.0637      2.00000
      8     -12.7911      2.00000
      9     -12.3032      2.00000
     10     -10.8756      2.00000
     11     -10.7602      2.00000
     12     -10.2593      2.00000
     13      -9.9013      2.00000
     14      -9.6891      2.00000
     15      -9.1825      2.00000
     16      -8.2114      2.00000
     17      -4.8470      2.00000
     18      -4.5593      2.00000
     19      -4.3921      2.00000
     20      -3.5628      2.00000
     21       0.9323      0.00000
     22       1.1088      0.00000
     23       2.0204      0.00000
     24       2.2368      0.00000
     25       2.5546      0.00000
     26       2.9796      0.00000
     27       3.2014      0.00000
     28       3.5306      0.00000

 k-point   721 :      -0.2174   -0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.3805      2.00000
      2     -21.7738      2.00000
      3     -21.2760      2.00000
      4     -20.3904      2.00000
      5     -16.5817      2.00000
      6     -15.7848      2.00000
      7     -15.5737      2.00000
      8     -12.9509      2.00000
      9     -12.4095      2.00000
     10     -11.1320      2.00000
     11     -10.8087      2.00000
     12     -10.1553      2.00000
     13     -10.0136      2.00000
     14      -9.7629      2.00000
     15      -9.0185      2.00000
     16      -8.0806      2.00000
     17      -4.9312      2.00000
     18      -4.4008      2.00000
     19      -4.2210      2.00000
     20      -3.4543      2.00000
     21       0.7898      0.00000
     22       0.9384      0.00000
     23       1.8269      0.00000
     24       2.0468      0.00000
     25       2.3712      0.00000
     26       2.8053      0.00000
     27       3.0960      0.00000
     28       3.2984      0.00000

 k-point   722 :      -0.1739   -0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.4967      2.00000
      2     -21.3962      2.00000
      3     -21.3603      2.00000
      4     -20.4262      2.00000
      5     -16.3288      2.00000
      6     -16.0640      2.00000
      7     -15.4939      2.00000
      8     -13.0970      2.00000
      9     -12.5025      2.00000
     10     -11.4488      2.00000
     11     -10.8728      2.00000
     12     -10.2894      2.00000
     13     -10.0630      2.00000
     14      -9.6318      2.00000
     15      -8.8583      2.00000
     16      -7.9582      2.00000
     17      -4.9992      2.00000
     18      -4.2669      2.00000
     19      -4.0625      2.00000
     20      -3.3594      2.00000
     21       0.6776      0.00000
     22       0.8016      0.00000
     23       1.6687      0.00000
     24       1.8918      0.00000
     25       2.2216      0.00000
     26       2.6623      0.00000
     27       2.9822      0.00000
     28       3.0477      0.00000

 k-point   723 :      -0.1304   -0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.5873      2.00000
      2     -21.4274      2.00000
      3     -21.0374      2.00000
      4     -20.4591      2.00000
      5     -16.5145      2.00000
      6     -16.0800      2.00000
      7     -15.2177      2.00000
      8     -13.2298      2.00000
      9     -12.5778      2.00000
     10     -11.7620      2.00000
     11     -10.9324      2.00000
     12     -10.5517      2.00000
     13      -9.9932      2.00000
     14      -9.4987      2.00000
     15      -8.7168      2.00000
     16      -7.8498      2.00000
     17      -5.0506      2.00000
     18      -4.1660      2.00000
     19      -3.9262      2.00000
     20      -3.2820      2.00000
     21       0.5939      0.00000
     22       0.6973      0.00000
     23       1.5458      0.00000
     24       1.7717      0.00000
     25       2.1060      0.00000
     26       2.5515      0.00000
     27       2.8152      0.00000
     28       2.8773      0.00000

 k-point   724 :      -0.0870   -0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.6521      2.00000
      2     -21.4761      2.00000
      3     -20.7240      2.00000
      4     -20.4852      2.00000
      5     -16.8954      2.00000
      6     -15.8618      2.00000
      7     -14.9782      2.00000
      8     -13.3460      2.00000
      9     -12.6329      2.00000
     10     -12.0299      2.00000
     11     -10.9788      2.00000
     12     -10.7673      2.00000
     13      -9.9466      2.00000
     14      -9.3925      2.00000
     15      -8.6058      2.00000
     16      -7.7637      2.00000
     17      -5.0858      2.00000
     18      -4.0990      2.00000
     19      -3.8211      2.00000
     20      -3.2251      2.00000
     21       0.5365      0.00000
     22       0.6240      0.00000
     23       1.4581      0.00000
     24       1.6862      0.00000
     25       2.0239      0.00000
     26       2.4723      0.00000
     27       2.6410      0.00000
     28       2.7630      0.00000

 k-point   725 :      -0.0435   -0.0476    0.3333
  band No.  band energies     occupation 
      1     -25.6910      2.00000
      2     -21.5056      2.00000
      3     -20.5021      2.00000
      4     -20.4990      2.00000
      5     -17.1615      2.00000
      6     -15.7078      2.00000
      7     -14.8074      2.00000
      8     -13.4326      2.00000
      9     -12.6664      2.00000
     10     -12.2140      2.00000
     11     -11.0078      2.00000
     12     -10.9103      2.00000
     13      -9.9203      2.00000
     14      -9.3249      2.00000
     15      -8.5348      2.00000
     16      -7.7081      2.00000
     17      -5.1061      2.00000
     18      -4.0619      2.00000
     19      -3.7548      2.00000
     20      -3.1903      2.00000
     21       0.5032      0.00000
     22       0.5806      0.00000
     23       1.4056      0.00000
     24       1.6350      0.00000
     25       1.9750      0.00000
     26       2.4241      0.00000
     27       2.5313      0.00000
     28       2.6710      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
 10.300  13.699  -0.003   0.005  -0.002   0.008  -0.015   0.006
 13.699  18.220  -0.003   0.006  -0.002   0.010  -0.020   0.007
 -0.003  -0.003  -4.438  -0.003   0.001   8.693   0.006  -0.003
  0.005   0.006  -0.003  -4.433  -0.002   0.006   8.682   0.004
 -0.002  -0.002   0.001  -0.002  -4.439  -0.003   0.004   8.695
  0.008   0.010   8.693   0.006  -0.003 -19.169  -0.013   0.005
 -0.015  -0.020   0.006   8.682   0.004  -0.013 -19.147  -0.008
  0.006   0.007  -0.003   0.004   8.695   0.005  -0.008 -19.173
 total augmentation occupancy for first ion, spin component:           1
  7.224  -3.190  -0.097   0.074  -0.009  -0.026   0.030  -0.007
 -3.190   1.508   0.095  -0.116   0.034   0.018  -0.023   0.006
 -0.097   0.095   1.504  -0.067   0.009   0.135   0.003  -0.003
  0.074  -0.116  -0.067   1.576  -0.049   0.003   0.127   0.002
 -0.009   0.034   0.009  -0.049   1.473  -0.003   0.002   0.135
 -0.026   0.018   0.135   0.003  -0.003   0.014   0.001  -0.001
  0.030  -0.023   0.003   0.127   0.002   0.001   0.012   0.001
 -0.007   0.006  -0.003   0.002   0.135  -0.001   0.001   0.014


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


    CHARGE:  cpu time    2.2613: real time    2.2670
    FORLOC:  cpu time    0.0157: real time    0.0157
    FORNL :  cpu time    3.8358: real time    3.8454
    STRESS:  cpu time   18.5567: real time   18.6029
    FORCOR:  cpu time    0.1276: real time    0.1279
    FORHAR:  cpu time    0.0391: real time    0.0392
    MIXING:  cpu time    0.0099: real time    0.0099
    OFIELD:  cpu time    0.0001: real time    0.0002

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

         DFTD3 V3.0 Rev 1        
 IVDW         = 12
 DF pbe       
 parameters
 VDW_S6       =    1.0000
 VDW_S8       =    0.7875
 VDW_A1       =    0.4289
 VDW_A2       =    4.4407
 k1-k3        =   16.0000    1.3333   -4.0000
 VDW_RADIUS   =   50.2022 A
 VDW_CNRADIUS =   21.1671 A
 Edisp (eV)   -0.90105

 E6    (eV) :    -0.6525
 E8    (eV) :    -0.2485
 % E8        : 27.58
    FORVDW:  cpu time    0.0378: real time    0.0395

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    13.77444    13.77444    13.77444
  Ewald   17107.69514 16946.03860-18207.06979     0.05282     0.00134     0.05513
  Hartree 17151.10876 17062.16681-16929.43575     0.01168     0.00460     0.00315
  E(xc)    -159.06731  -159.45750  -160.64153     0.00029    -0.00008     0.00078
  Local  -34708.08104-34466.66433 34638.02909    -0.05337    -0.00810    -0.04832
  n-local   -72.80718   -76.10573   -84.34877    -0.00017    -0.00015     0.00244
  augment     2.67491     3.06823     4.41072    -0.00024     0.00003    -0.00043
  Kinetic   664.16581   676.79476   723.36799    -0.00706     0.00748    -0.05043
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  vdW        -0.91673    -0.93447    -0.21497     0.00000     0.00001    -0.00000
  -------------------------------------------------------------------------------------
  Total      -1.45322    -1.31920    -2.12857     0.00396     0.00513    -0.03768
  in kB      -4.50217    -4.08695    -6.59442     0.01226     0.01590    -0.11674
  external pressure =       -5.06 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      800.00
  volume of cell :      517.16
      direct lattice vectors                 reciprocal lattice vectors
     4.001094818  0.000000000  0.000000000     0.249931593  0.000000000  0.000000000
     0.000000000  4.308450695  0.000000000     0.000000000  0.232101995  0.000000000
     0.000000000  0.000000000 30.000000000     0.000000000  0.000000000  0.033333333

  length of vectors
     4.001094818  4.308450695 30.000000000     0.249931593  0.232101995  0.033333333


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.732E+01 -.341E+02 0.301E+03   0.919E+01 0.367E+02 -.306E+03   -.176E+01 -.249E+01 0.466E+01   -.128E-06 -.132E-06 0.796E-07
   -.727E+01 0.341E+02 -.302E+03   0.914E+01 -.367E+02 0.307E+03   -.176E+01 0.248E+01 -.466E+01   -.239E-06 -.102E-07 0.702E-07
   -.731E+01 -.341E+02 -.302E+03   0.918E+01 0.367E+02 0.307E+03   -.176E+01 -.248E+01 -.466E+01   -.618E-07 -.397E-07 -.962E-07
   -.732E+01 0.342E+02 0.302E+03   0.919E+01 -.368E+02 -.307E+03   -.176E+01 0.248E+01 0.467E+01   -.251E-06 0.940E-07 -.412E-07
   -.100E+02 -.210E+02 0.179E+03   0.114E+02 0.229E+02 -.184E+03   -.150E+01 -.215E+01 0.489E+01   0.936E-07 0.169E-06 -.470E-06
   -.100E+02 0.209E+02 -.179E+03   0.114E+02 -.229E+02 0.184E+03   -.150E+01 0.214E+01 -.488E+01   0.106E-06 -.178E-06 0.510E-06
   -.100E+02 -.209E+02 -.179E+03   0.114E+02 0.229E+02 0.184E+03   -.150E+01 -.215E+01 -.488E+01   0.648E-07 0.133E-06 0.385E-06
   -.999E+01 0.209E+02 0.179E+03   0.114E+02 -.229E+02 -.184E+03   -.149E+01 0.214E+01 0.489E+01   0.102E-06 -.175E-06 -.482E-06
   0.128E+02 -.390E+02 0.330E+03   -.206E+02 0.499E+02 -.348E+03   0.774E+01 -.110E+02 0.175E+02   -.183E-06 0.440E-06 -.939E-06
   0.128E+02 0.390E+02 -.331E+03   -.205E+02 -.500E+02 0.348E+03   0.774E+01 0.110E+02 -.176E+02   -.569E-06 -.232E-06 0.934E-06
   0.128E+02 -.390E+02 -.330E+03   -.206E+02 0.500E+02 0.347E+03   0.774E+01 -.110E+02 -.175E+02   0.103E-06 0.682E-06 0.998E-06
   0.128E+02 0.390E+02 0.330E+03   -.206E+02 -.500E+02 -.348E+03   0.774E+01 0.110E+02 0.176E+02   -.507E-06 -.684E-06 -.652E-06
 -----------------------------------------------------------------------------------------------
   -.179E+02 0.184E-01 -.281E-01   0.711E-14 -.142E-13 0.568E-13   0.179E+02 -.184E-01 0.280E-01   -.147E-05 0.679E-07 0.296E-06
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.30618      3.87654     29.52391         0.105911      0.098128     -0.318247
      0.30600      0.32863      0.72962         0.104066     -0.098994      0.323808
      2.30637      1.72224      0.72934         0.107277      0.103183      0.321953
      0.30556      2.48293     29.52288         0.105135     -0.100101     -0.314795
      2.61130      4.30467     28.53534        -0.119047     -0.168472      0.378139
      0.61257      4.21063      1.71905        -0.128804      0.166843     -0.391066
      2.61224      2.14992      1.71825        -0.127357     -0.167941     -0.385193
      0.60995      2.05639     28.53308        -0.117069      0.165496      0.388554
      0.83485      3.83389     29.60436         0.020838     -0.027058      0.157700
      2.83576      0.37109      0.64941         0.012101      0.027936     -0.161796
      0.83513      1.67963      0.64805         0.017137     -0.028332     -0.157339
      2.83535      2.52539     29.60394         0.019813      0.029311      0.158283
 -----------------------------------------------------------------------------------
    total drift:                                0.000180      0.000000     -0.000074


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -82.95528481 eV

  energy  without entropy=      -82.95528481  energy(sigma->0) =      -82.95528481
  enthalpy is  TOTEN    =       -82.95496202 eV   P V=        0.00032278



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


    POTLOK:  cpu time    0.1170: real time    0.1173


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


     LOOP+:  cpu time 1480.5568: real time 1484.4866
    4ORBIT:  cpu time    0.0000: real time    0.0000

 total amount of memory used by VASP MPI-rank0  1071897. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :     468078. kBytes
   fftplans  :       9259. kBytes
   grid      :      16617. kBytes
   one-center:          6. kBytes
   wavefun   :     547937. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):     1516.063
                            User time (sec):     1508.339
                          System time (sec):        7.725
                         Elapsed time (sec):     1520.229
  
                   Maximum memory used (kb):     1180292.
                   Average memory used (kb):           0.
  
                          Minor page faults:       317601
                          Major page faults:            0
                 Voluntary context switches:         2687
