 vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Jun 30 2017 11:24:31) complex           
 executed on             LinuxGNU date 2017.10.18  08:54:25
 running on    2 total cores
 distrk:  each k-point on    2 cores,    1 groups
 distr:  one band on NCORES_PER_BAND=   1 cores,    2 groups


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


 INCAR:
 POTCAR:    PAW_PBE Sb 06Sep2000                  
 POTCAR:    PAW_PBE Zn 06Sep2000                  
 POTCAR:    PAW_PBE Li_sv 10Sep2004               
 POTCAR:    PAW_PBE Sb 06Sep2000                  
   VRHFIN =Sb: s2p3                                                             
   LEXCH  = PE                                                                  
   EATOM  =   149.9515 eV,   11.0211 Ry                                         
                                                                                
   TITEL  = PAW_PBE Sb 06Sep2000                                                
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    2.200    partial core radius                                     
   POMASS =  121.750; ZVAL   =    5.000    mass and valenz                      
   RCORE  =    2.300    outmost cutoff radius                                   
   RWIGS  =    2.980; RWIGS  =    1.577    wigner-seitz radius (au A)           
   ENMAX  =  172.069; ENMIN  =  129.052 eV                                      
   ICORE  =        3    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  380.513                                                            
   DEXC   =    0.000                                                            
   RMAX   =    2.346    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.360    radius for radial grids                                 
   RDEPT  =    2.192    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
   13 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50    -30298.2797   2.0000                                         
     2  0  0.50     -4610.2252   2.0000                                         
     2  1  1.50     -4138.3407   6.0000                                         
     3  0  0.50      -903.8815   2.0000                                         
     3  1  1.50      -750.1337   6.0000                                         
     3  2  2.50      -515.7092  10.0000                                         
     4  0  0.50      -148.8034   2.0000                                         
     4  1  1.50      -101.7581   6.0000                                         
     4  2  2.50       -33.5048  10.0000                                         
     5  0  0.50       -12.8298   2.0000                                         
     5  1  0.50        -4.8276   3.0000                                         
     5  2  1.50        -4.0817   0.0000                                         
     4  3  2.50        -4.0817   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -12.8297861     23  2.300                                             
     0     13.6058260     23  2.300                                             
     1     -4.8275512     23  2.300                                             
     1     -0.7245443     23  2.300                                             
     2     -4.0817478     23  2.300                                             
     3     -1.3605826     23  2.300                                             
  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
  non local Contribution for L=           2  read in
    real space projection operators read in
    PAW grid and wavefunctions read in

   number of l-projection  operators is LMAX  =           5
   number of lm-projection operators is LMMAX =          13

 POTCAR:    PAW_PBE Zn 06Sep2000                  
   VRHFIN =Zn: d10 p2                                                           
   LEXCH  = PE                                                                  
   EATOM  =  1748.8345 eV,  128.5357 Ry                                         
                                                                                
   TITEL  = PAW_PBE Zn 06Sep2000                                                
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    2.000    partial core radius                                     
   POMASS =   65.390; ZVAL   =   12.000    mass and valenz                      
   RCORE  =    2.300    outmost cutoff radius                                   
   RWIGS  =    2.400; RWIGS  =    1.270    wigner-seitz radius (au A)           
   ENMAX  =  276.723; ENMIN  =  207.542 eV                                      
   RCLOC  =    1.828    cutoff for local pot                                    
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  575.892                                                            
   DEXC   =    0.000                                                            
   RMAX   =    2.347    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.324    radius for radial grids                                 
   RDEPT  =    1.788    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    9 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50     -9524.6913   2.0000                                         
     2  0  0.50     -1158.1882   2.0000                                         
     2  1  1.50     -1003.8506   6.0000                                         
     3  0  0.50      -129.2194   2.0000                                         
     3  1  1.50       -83.3890   6.0000                                         
     3  2  2.50       -10.1410  10.0000                                         
     4  0  0.50        -5.9785   2.0000                                         
     4  1  0.50        -4.0817   0.0000                                         
     4  3  2.50        -1.3606   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     2    -10.1410010     23  2.300                                             
     2    -11.5015836     23  2.300                                             
     0     -5.9785163     23  2.300                                             
     0      1.1858015     23  2.300                                             
     1     -2.7211652     23  2.300                                             
     1     13.2444212     23  2.300                                             
  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=           2  read in
    real space projection operators read in
  non local Contribution for L=           2  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=           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  =           6
   number of lm-projection operators is LMMAX =          18

 POTCAR:    PAW_PBE Li_sv 10Sep2004               
   VRHFIN =Li: 1s2s2p                                                           
   LEXCH  = PE                                                                  
   EATOM  =   202.7858 eV,   14.9043 Ry                                         
                                                                                
   TITEL  = PAW_PBE Li_sv 10Sep2004                                             
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        0    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    0.000    partial core radius                                     
   POMASS =    7.010; ZVAL   =    3.000    mass and valenz                      
   RCORE  =    1.700    outmost cutoff radius                                   
   RWIGS  =    2.050; RWIGS  =    1.085    wigner-seitz radius (au A)           
   ENMAX  =  499.034; ENMIN  =  374.276 eV                                      
   ICORE  =        2    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  628.945                                                            
   RMAX   =    1.732    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.728    radius for radial grids                                 
   RDEPT  =    1.329    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    4 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50       -51.8549   2.0000                                         
     2  0  0.50        -2.8742   1.0000                                         
     2  1  0.50        -1.3606   0.0000                                         
     3  2  1.50        -1.3606   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -51.8548813     23  1.400                                             
     0     -2.8742052     23  1.700                                             
     1     -1.3605826     23  1.400                                             
     2     -1.3605826     23  1.400                                             
  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

  PAW_PBE Sb 06Sep2000                  :
 energy of atom  1       EATOM= -149.9515
 kinetic energy error for atom=    0.0003 (will be added to EATOM!!)
  PAW_PBE Zn 06Sep2000                  :
 energy of atom  2       EATOM=-1748.8345
 kinetic energy error for atom=    0.0015 (will be added to EATOM!!)
  PAW_PBE Li_sv 10Sep2004               :
 energy of atom  3       EATOM= -202.7858
 kinetic energy error for atom=    0.0087 (will be added to EATOM!!)


 POSCAR: Sb Zn Li                                
  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  0.667  0.333  0.885-   4 2.69   4 2.69   4 2.69   3 2.76   5 2.89   5 2.89   5 2.89
   2  0.333  0.667  0.385-   3 2.69   3 2.69   3 2.69   4 2.76   6 2.89   6 2.89   6 2.89
   3  0.667  0.333  0.500-   2 2.69   2 2.69   2 2.69   1 2.76
   4  0.333  0.667  0.000-   1 2.69   1 2.69   1 2.69   2 2.76
   5  0.000  0.000  0.696-   1 2.89   1 2.89   1 2.89
   6  0.000  0.000  0.196-   2 2.89   2 2.89   2 2.89

  LATTYP: Found a hexagonal cell.
 ALAT       =     4.4309997547
 C/A-ratio  =     1.6152111168
  
  Lattice vectors:
  
 A1 = (   4.4309997547,   0.0000000000,   0.0000000000)
 A2 = (  -2.2154998773,   3.8373583517,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   7.1570000621)


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 
 hexagonal supercell.


 Subroutine GETGRP returns: Found 12 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The static configuration has the point symmetry C_3v.
 The point group associated with its full space group is C_6v.


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 
 hexagonal supercell.


 Subroutine GETGRP returns: Found 12 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The dynamic configuration has the point symmetry C_3v.
 The point group associated with its full space group is C_6v.


Analysis of structural, dynamic, and magnetic symmetry:
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

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


 Subroutine GETGRP returns: Found 12 space group operations
 (whereof  6 operations were pure point group operations)
 out of a pool of 24 trial point group operations.


The magnetic configuration has the point symmetry C_3v.
 The point group associated with its full space group is C_6v.


 Subroutine INISYM returns: Found 12 space group operations
 (whereof  6 operations are pure point group operations),
 and found     1 'primitive' translations



 KPOINTS: Automatic mesh                          

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000001     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2     1.000000   120.000000     0.000000    -0.000000    -1.000000     0.000000     0.000000     0.000000
    3     1.000000   120.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    4    -1.000000   180.000000     1.000000    -0.000000    -0.000000     0.000000     0.000000     0.000000
    5    -1.000000   179.999999    -0.500000     0.866025    -0.000000     0.000000     0.000000     0.000000
    6    -1.000000   179.999999     0.500000     0.866025    -0.000000     0.000000     0.000000     0.000000
    7     1.000000    60.000000     0.000000    -0.000000    -1.000000     0.000000     0.000000     0.500000
    8     1.000000   179.999999     0.000000     0.000000     1.000000     0.000000     0.000000     0.500000
    9     1.000000    60.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.500000
   10    -1.000000   180.000000    -0.866025     0.500000    -0.000000     0.000000     0.000000     0.500000
   11    -1.000000   179.999999     0.000000     1.000000    -0.000000     0.000000     0.000000     0.500000
   12    -1.000000   180.000000    -0.866025    -0.500000     0.000000     0.000000     0.000000     0.500000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    147 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.076923  0.000000  0.000000      6.000000
  0.153846  0.000000  0.000000      6.000000
  0.230769  0.000000  0.000000      6.000000
  0.307692  0.000000  0.000000      6.000000
  0.384615  0.000000  0.000000      6.000000
  0.461538  0.000000  0.000000      6.000000
  0.076923  0.076923  0.000000      6.000000
  0.153846  0.076923  0.000000     12.000000
  0.230769  0.076923  0.000000     12.000000
  0.307692  0.076923  0.000000     12.000000
  0.384615  0.076923  0.000000     12.000000
  0.461538  0.076923  0.000000      6.000000
  0.153846  0.153846  0.000000      6.000000
  0.230769  0.153846  0.000000     12.000000
  0.307692  0.153846  0.000000     12.000000
  0.384615  0.153846  0.000000     12.000000
  0.230769  0.230769  0.000000      6.000000
  0.307692  0.230769  0.000000     12.000000
  0.384615  0.230769  0.000000      6.000000
  0.307692  0.307692  0.000000      6.000000
  0.000000  0.000000  0.076923      2.000000
  0.076923  0.000000  0.076923     12.000000
  0.153846  0.000000  0.076923     12.000000
  0.230769  0.000000  0.076923     12.000000
  0.307692  0.000000  0.076923     12.000000
  0.384615  0.000000  0.076923     12.000000
  0.461538  0.000000  0.076923     12.000000
  0.076923  0.076923  0.076923     12.000000
  0.153846  0.076923  0.076923     24.000000
  0.230769  0.076923  0.076923     24.000000
  0.307692  0.076923  0.076923     24.000000
  0.384615  0.076923  0.076923     24.000000
  0.461538  0.076923  0.076923     12.000000
  0.153846  0.153846  0.076923     12.000000
  0.230769  0.153846  0.076923     24.000000
  0.307692  0.153846  0.076923     24.000000
  0.384615  0.153846  0.076923     24.000000
  0.230769  0.230769  0.076923     12.000000
  0.307692  0.230769  0.076923     24.000000
  0.384615  0.230769  0.076923     12.000000
  0.307692  0.307692  0.076923     12.000000
  0.000000  0.000000  0.153846      2.000000
  0.076923  0.000000  0.153846     12.000000
  0.153846  0.000000  0.153846     12.000000
  0.230769  0.000000  0.153846     12.000000
  0.307692  0.000000  0.153846     12.000000
  0.384615  0.000000  0.153846     12.000000
  0.461538  0.000000  0.153846     12.000000
  0.076923  0.076923  0.153846     12.000000
  0.153846  0.076923  0.153846     24.000000
  0.230769  0.076923  0.153846     24.000000
  0.307692  0.076923  0.153846     24.000000
  0.384615  0.076923  0.153846     24.000000
  0.461538  0.076923  0.153846     12.000000
  0.153846  0.153846  0.153846     12.000000
  0.230769  0.153846  0.153846     24.000000
  0.307692  0.153846  0.153846     24.000000
  0.384615  0.153846  0.153846     24.000000
  0.230769  0.230769  0.153846     12.000000
  0.307692  0.230769  0.153846     24.000000
  0.384615  0.230769  0.153846     12.000000
  0.307692  0.307692  0.153846     12.000000
  0.000000  0.000000  0.230769      2.000000
  0.076923  0.000000  0.230769     12.000000
  0.153846  0.000000  0.230769     12.000000
  0.230769  0.000000  0.230769     12.000000
  0.307692  0.000000  0.230769     12.000000
  0.384615  0.000000  0.230769     12.000000
  0.461538  0.000000  0.230769     12.000000
  0.076923  0.076923  0.230769     12.000000
  0.153846  0.076923  0.230769     24.000000
  0.230769  0.076923  0.230769     24.000000
  0.307692  0.076923  0.230769     24.000000
  0.384615  0.076923  0.230769     24.000000
  0.461538  0.076923  0.230769     12.000000
  0.153846  0.153846  0.230769     12.000000
  0.230769  0.153846  0.230769     24.000000
  0.307692  0.153846  0.230769     24.000000
  0.384615  0.153846  0.230769     24.000000
  0.230769  0.230769  0.230769     12.000000
  0.307692  0.230769  0.230769     24.000000
  0.384615  0.230769  0.230769     12.000000
  0.307692  0.307692  0.230769     12.000000
  0.000000  0.000000  0.307692      2.000000
  0.076923  0.000000  0.307692     12.000000
  0.153846  0.000000  0.307692     12.000000
  0.230769  0.000000  0.307692     12.000000
  0.307692  0.000000  0.307692     12.000000
  0.384615  0.000000  0.307692     12.000000
  0.461538  0.000000  0.307692     12.000000
  0.076923  0.076923  0.307692     12.000000
  0.153846  0.076923  0.307692     24.000000
  0.230769  0.076923  0.307692     24.000000
  0.307692  0.076923  0.307692     24.000000
  0.384615  0.076923  0.307692     24.000000
  0.461538  0.076923  0.307692     12.000000
  0.153846  0.153846  0.307692     12.000000
  0.230769  0.153846  0.307692     24.000000
  0.307692  0.153846  0.307692     24.000000
  0.384615  0.153846  0.307692     24.000000
  0.230769  0.230769  0.307692     12.000000
  0.307692  0.230769  0.307692     24.000000
  0.384615  0.230769  0.307692     12.000000
  0.307692  0.307692  0.307692     12.000000
  0.000000  0.000000  0.384615      2.000000
  0.076923  0.000000  0.384615     12.000000
  0.153846  0.000000  0.384615     12.000000
  0.230769  0.000000  0.384615     12.000000
  0.307692  0.000000  0.384615     12.000000
  0.384615  0.000000  0.384615     12.000000
  0.461538  0.000000  0.384615     12.000000
  0.076923  0.076923  0.384615     12.000000
  0.153846  0.076923  0.384615     24.000000
  0.230769  0.076923  0.384615     24.000000
  0.307692  0.076923  0.384615     24.000000
  0.384615  0.076923  0.384615     24.000000
  0.461538  0.076923  0.384615     12.000000
  0.153846  0.153846  0.384615     12.000000
  0.230769  0.153846  0.384615     24.000000
  0.307692  0.153846  0.384615     24.000000
  0.384615  0.153846  0.384615     24.000000
  0.230769  0.230769  0.384615     12.000000
  0.307692  0.230769  0.384615     24.000000
  0.384615  0.230769  0.384615     12.000000
  0.307692  0.307692  0.384615     12.000000
  0.000000  0.000000  0.461538      2.000000
  0.076923  0.000000  0.461538     12.000000
  0.153846  0.000000  0.461538     12.000000
  0.230769  0.000000  0.461538     12.000000
  0.307692  0.000000  0.461538     12.000000
  0.384615  0.000000  0.461538     12.000000
  0.461538  0.000000  0.461538     12.000000
  0.076923  0.076923  0.461538     12.000000
  0.153846  0.076923  0.461538     24.000000
  0.230769  0.076923  0.461538     24.000000
  0.307692  0.076923  0.461538     24.000000
  0.384615  0.076923  0.461538     24.000000
  0.461538  0.076923  0.461538     12.000000
  0.153846  0.153846  0.461538     12.000000
  0.230769  0.153846  0.461538     24.000000
  0.307692  0.153846  0.461538     24.000000
  0.384615  0.153846  0.461538     24.000000
  0.230769  0.230769  0.461538     12.000000
  0.307692  0.230769  0.461538     24.000000
  0.384615  0.230769  0.461538     12.000000
  0.307692  0.307692  0.461538     12.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.017360  0.010023  0.000000      6.000000
  0.034720  0.020046  0.000000      6.000000
  0.052081  0.030069  0.000000      6.000000
  0.069441  0.040092  0.000000      6.000000
  0.086801  0.050115  0.000000      6.000000
  0.104161  0.060138  0.000000      6.000000
  0.017360  0.030069  0.000000      6.000000
  0.034720  0.040092  0.000000     12.000000
  0.052081  0.050115  0.000000     12.000000
  0.069441  0.060138  0.000000     12.000000
  0.086801  0.070160  0.000000     12.000000
  0.104161  0.080183  0.000000      6.000000
  0.034720  0.060138  0.000000      6.000000
  0.052081  0.070160  0.000000     12.000000
  0.069441  0.080183  0.000000     12.000000
  0.086801  0.090206  0.000000     12.000000
  0.052081  0.090206  0.000000      6.000000
  0.069441  0.100229  0.000000     12.000000
  0.086801  0.110252  0.000000      6.000000
  0.069441  0.120275  0.000000      6.000000
  0.000000  0.000000  0.010748      2.000000
  0.017360  0.010023  0.010748     12.000000
  0.034720  0.020046  0.010748     12.000000
  0.052081  0.030069  0.010748     12.000000
  0.069441  0.040092  0.010748     12.000000
  0.086801  0.050115  0.010748     12.000000
  0.104161  0.060138  0.010748     12.000000
  0.017360  0.030069  0.010748     12.000000
  0.034720  0.040092  0.010748     24.000000
  0.052081  0.050115  0.010748     24.000000
  0.069441  0.060138  0.010748     24.000000
  0.086801  0.070160  0.010748     24.000000
  0.104161  0.080183  0.010748     12.000000
  0.034720  0.060138  0.010748     12.000000
  0.052081  0.070160  0.010748     24.000000
  0.069441  0.080183  0.010748     24.000000
  0.086801  0.090206  0.010748     24.000000
  0.052081  0.090206  0.010748     12.000000
  0.069441  0.100229  0.010748     24.000000
  0.086801  0.110252  0.010748     12.000000
  0.069441  0.120275  0.010748     12.000000
  0.000000  0.000000  0.021496      2.000000
  0.017360  0.010023  0.021496     12.000000
  0.034720  0.020046  0.021496     12.000000
  0.052081  0.030069  0.021496     12.000000
  0.069441  0.040092  0.021496     12.000000
  0.086801  0.050115  0.021496     12.000000
  0.104161  0.060138  0.021496     12.000000
  0.017360  0.030069  0.021496     12.000000
  0.034720  0.040092  0.021496     24.000000
  0.052081  0.050115  0.021496     24.000000
  0.069441  0.060138  0.021496     24.000000
  0.086801  0.070160  0.021496     24.000000
  0.104161  0.080183  0.021496     12.000000
  0.034720  0.060138  0.021496     12.000000
  0.052081  0.070160  0.021496     24.000000
  0.069441  0.080183  0.021496     24.000000
  0.086801  0.090206  0.021496     24.000000
  0.052081  0.090206  0.021496     12.000000
  0.069441  0.100229  0.021496     24.000000
  0.086801  0.110252  0.021496     12.000000
  0.069441  0.120275  0.021496     12.000000
  0.000000  0.000000  0.032244      2.000000
  0.017360  0.010023  0.032244     12.000000
  0.034720  0.020046  0.032244     12.000000
  0.052081  0.030069  0.032244     12.000000
  0.069441  0.040092  0.032244     12.000000
  0.086801  0.050115  0.032244     12.000000
  0.104161  0.060138  0.032244     12.000000
  0.017360  0.030069  0.032244     12.000000
  0.034720  0.040092  0.032244     24.000000
  0.052081  0.050115  0.032244     24.000000
  0.069441  0.060138  0.032244     24.000000
  0.086801  0.070160  0.032244     24.000000
  0.104161  0.080183  0.032244     12.000000
  0.034720  0.060138  0.032244     12.000000
  0.052081  0.070160  0.032244     24.000000
  0.069441  0.080183  0.032244     24.000000
  0.086801  0.090206  0.032244     24.000000
  0.052081  0.090206  0.032244     12.000000
  0.069441  0.100229  0.032244     24.000000
  0.086801  0.110252  0.032244     12.000000
  0.069441  0.120275  0.032244     12.000000
  0.000000  0.000000  0.042992      2.000000
  0.017360  0.010023  0.042992     12.000000
  0.034720  0.020046  0.042992     12.000000
  0.052081  0.030069  0.042992     12.000000
  0.069441  0.040092  0.042992     12.000000
  0.086801  0.050115  0.042992     12.000000
  0.104161  0.060138  0.042992     12.000000
  0.017360  0.030069  0.042992     12.000000
  0.034720  0.040092  0.042992     24.000000
  0.052081  0.050115  0.042992     24.000000
  0.069441  0.060138  0.042992     24.000000
  0.086801  0.070160  0.042992     24.000000
  0.104161  0.080183  0.042992     12.000000
  0.034720  0.060138  0.042992     12.000000
  0.052081  0.070160  0.042992     24.000000
  0.069441  0.080183  0.042992     24.000000
  0.086801  0.090206  0.042992     24.000000
  0.052081  0.090206  0.042992     12.000000
  0.069441  0.100229  0.042992     24.000000
  0.086801  0.110252  0.042992     12.000000
  0.069441  0.120275  0.042992     12.000000
  0.000000  0.000000  0.053740      2.000000
  0.017360  0.010023  0.053740     12.000000
  0.034720  0.020046  0.053740     12.000000
  0.052081  0.030069  0.053740     12.000000
  0.069441  0.040092  0.053740     12.000000
  0.086801  0.050115  0.053740     12.000000
  0.104161  0.060138  0.053740     12.000000
  0.017360  0.030069  0.053740     12.000000
  0.034720  0.040092  0.053740     24.000000
  0.052081  0.050115  0.053740     24.000000
  0.069441  0.060138  0.053740     24.000000
  0.086801  0.070160  0.053740     24.000000
  0.104161  0.080183  0.053740     12.000000
  0.034720  0.060138  0.053740     12.000000
  0.052081  0.070160  0.053740     24.000000
  0.069441  0.080183  0.053740     24.000000
  0.086801  0.090206  0.053740     24.000000
  0.052081  0.090206  0.053740     12.000000
  0.069441  0.100229  0.053740     24.000000
  0.086801  0.110252  0.053740     12.000000
  0.069441  0.120275  0.053740     12.000000
  0.000000  0.000000  0.064488      2.000000
  0.017360  0.010023  0.064488     12.000000
  0.034720  0.020046  0.064488     12.000000
  0.052081  0.030069  0.064488     12.000000
  0.069441  0.040092  0.064488     12.000000
  0.086801  0.050115  0.064488     12.000000
  0.104161  0.060138  0.064488     12.000000
  0.017360  0.030069  0.064488     12.000000
  0.034720  0.040092  0.064488     24.000000
  0.052081  0.050115  0.064488     24.000000
  0.069441  0.060138  0.064488     24.000000
  0.086801  0.070160  0.064488     24.000000
  0.104161  0.080183  0.064488     12.000000
  0.034720  0.060138  0.064488     12.000000
  0.052081  0.070160  0.064488     24.000000
  0.069441  0.080183  0.064488     24.000000
  0.086801  0.090206  0.064488     24.000000
  0.052081  0.090206  0.064488     12.000000
  0.069441  0.100229  0.064488     24.000000
  0.086801  0.110252  0.064488     12.000000
  0.069441  0.120275  0.064488     12.000000
 
 
 Subroutine IBZKPT_HF returns following result:
 ==============================================
 
 Found   2197 k-points in 1st BZ
 the following   2197 k-points will be used (e.g. in the exchange kernel)
 Following reciprocal coordinates:   # in IRBZ
  0.000000  0.000000  0.000000    0.00045517   1 t-inv F
  0.076923  0.000000  0.000000    0.00045517   2 t-inv F
  0.153846  0.000000  0.000000    0.00045517   3 t-inv F
  0.230769  0.000000  0.000000    0.00045517   4 t-inv F
  0.307692  0.000000  0.000000    0.00045517   5 t-inv F
  0.384615  0.000000  0.000000    0.00045517   6 t-inv F
  0.461538  0.000000  0.000000    0.00045517   7 t-inv F
  0.076923  0.076923  0.000000    0.00045517   8 t-inv F
  0.153846  0.076923  0.000000    0.00045517   9 t-inv F
  0.230769  0.076923  0.000000    0.00045517  10 t-inv F
  0.307692  0.076923  0.000000    0.00045517  11 t-inv F
  0.384615  0.076923  0.000000    0.00045517  12 t-inv F
  0.461538  0.076923  0.000000    0.00045517  13 t-inv F
  0.153846  0.153846  0.000000    0.00045517  14 t-inv F
  0.230769  0.153846  0.000000    0.00045517  15 t-inv F
  0.307692  0.153846  0.000000    0.00045517  16 t-inv F
  0.384615  0.153846  0.000000    0.00045517  17 t-inv F
  0.230769  0.230769  0.000000    0.00045517  18 t-inv F
  0.307692  0.230769  0.000000    0.00045517  19 t-inv F
  0.384615  0.230769  0.000000    0.00045517  20 t-inv F
  0.307692  0.307692  0.000000    0.00045517  21 t-inv F
  0.000000  0.000000  0.076923    0.00045517  22 t-inv F
  0.076923  0.000000  0.076923    0.00045517  23 t-inv F
  0.153846  0.000000  0.076923    0.00045517  24 t-inv F
  0.230769  0.000000  0.076923    0.00045517  25 t-inv F
  0.307692  0.000000  0.076923    0.00045517  26 t-inv F
  0.384615  0.000000  0.076923    0.00045517  27 t-inv F
  0.461538  0.000000  0.076923    0.00045517  28 t-inv F
  0.076923  0.076923  0.076923    0.00045517  29 t-inv F
  0.153846  0.076923  0.076923    0.00045517  30 t-inv F
  0.230769  0.076923  0.076923    0.00045517  31 t-inv F
  0.307692  0.076923  0.076923    0.00045517  32 t-inv F
  0.384615  0.076923  0.076923    0.00045517  33 t-inv F
  0.461538  0.076923  0.076923    0.00045517  34 t-inv F
  0.153846  0.153846  0.076923    0.00045517  35 t-inv F
  0.230769  0.153846  0.076923    0.00045517  36 t-inv F
  0.307692  0.153846  0.076923    0.00045517  37 t-inv F
  0.384615  0.153846  0.076923    0.00045517  38 t-inv F
  0.230769  0.230769  0.076923    0.00045517  39 t-inv F
  0.307692  0.230769  0.076923    0.00045517  40 t-inv F
  0.384615  0.230769  0.076923    0.00045517  41 t-inv F
  0.307692  0.307692  0.076923    0.00045517  42 t-inv F
  0.000000  0.000000  0.153846    0.00045517  43 t-inv F
  0.076923  0.000000  0.153846    0.00045517  44 t-inv F
  0.153846  0.000000  0.153846    0.00045517  45 t-inv F
  0.230769  0.000000  0.153846    0.00045517  46 t-inv F
  0.307692  0.000000  0.153846    0.00045517  47 t-inv F
  0.384615  0.000000  0.153846    0.00045517  48 t-inv F
  0.461538  0.000000  0.153846    0.00045517  49 t-inv F
  0.076923  0.076923  0.153846    0.00045517  50 t-inv F
  0.153846  0.076923  0.153846    0.00045517  51 t-inv F
  0.230769  0.076923  0.153846    0.00045517  52 t-inv F
  0.307692  0.076923  0.153846    0.00045517  53 t-inv F
  0.384615  0.076923  0.153846    0.00045517  54 t-inv F
  0.461538  0.076923  0.153846    0.00045517  55 t-inv F
  0.153846  0.153846  0.153846    0.00045517  56 t-inv F
  0.230769  0.153846  0.153846    0.00045517  57 t-inv F
  0.307692  0.153846  0.153846    0.00045517  58 t-inv F
  0.384615  0.153846  0.153846    0.00045517  59 t-inv F
  0.230769  0.230769  0.153846    0.00045517  60 t-inv F
  0.307692  0.230769  0.153846    0.00045517  61 t-inv F
  0.384615  0.230769  0.153846    0.00045517  62 t-inv F
  0.307692  0.307692  0.153846    0.00045517  63 t-inv F
  0.000000  0.000000  0.230769    0.00045517  64 t-inv F
  0.076923  0.000000  0.230769    0.00045517  65 t-inv F
  0.153846  0.000000  0.230769    0.00045517  66 t-inv F
  0.230769  0.000000  0.230769    0.00045517  67 t-inv F
  0.307692  0.000000  0.230769    0.00045517  68 t-inv F
  0.384615  0.000000  0.230769    0.00045517  69 t-inv F
  0.461538  0.000000  0.230769    0.00045517  70 t-inv F
  0.076923  0.076923  0.230769    0.00045517  71 t-inv F
  0.153846  0.076923  0.230769    0.00045517  72 t-inv F
  0.230769  0.076923  0.230769    0.00045517  73 t-inv F
  0.307692  0.076923  0.230769    0.00045517  74 t-inv F
  0.384615  0.076923  0.230769    0.00045517  75 t-inv F
  0.461538  0.076923  0.230769    0.00045517  76 t-inv F
  0.153846  0.153846  0.230769    0.00045517  77 t-inv F
  0.230769  0.153846  0.230769    0.00045517  78 t-inv F
  0.307692  0.153846  0.230769    0.00045517  79 t-inv F
  0.384615  0.153846  0.230769    0.00045517  80 t-inv F
  0.230769  0.230769  0.230769    0.00045517  81 t-inv F
  0.307692  0.230769  0.230769    0.00045517  82 t-inv F
  0.384615  0.230769  0.230769    0.00045517  83 t-inv F
  0.307692  0.307692  0.230769    0.00045517  84 t-inv F
  0.000000  0.000000  0.307692    0.00045517  85 t-inv F
  0.076923  0.000000  0.307692    0.00045517  86 t-inv F
  0.153846  0.000000  0.307692    0.00045517  87 t-inv F
  0.230769  0.000000  0.307692    0.00045517  88 t-inv F
  0.307692  0.000000  0.307692    0.00045517  89 t-inv F
  0.384615  0.000000  0.307692    0.00045517  90 t-inv F
  0.461538  0.000000  0.307692    0.00045517  91 t-inv F
  0.076923  0.076923  0.307692    0.00045517  92 t-inv F
  0.153846  0.076923  0.307692    0.00045517  93 t-inv F
  0.230769  0.076923  0.307692    0.00045517  94 t-inv F
  0.307692  0.076923  0.307692    0.00045517  95 t-inv F
  0.384615  0.076923  0.307692    0.00045517  96 t-inv F
  0.461538  0.076923  0.307692    0.00045517  97 t-inv F
  0.153846  0.153846  0.307692    0.00045517  98 t-inv F
  0.230769  0.153846  0.307692    0.00045517  99 t-inv F
  0.307692  0.153846  0.307692    0.00045517 100 t-inv F
  0.384615  0.153846  0.307692    0.00045517 101 t-inv F
  0.230769  0.230769  0.307692    0.00045517 102 t-inv F
  0.307692  0.230769  0.307692    0.00045517 103 t-inv F
  0.384615  0.230769  0.307692    0.00045517 104 t-inv F
  0.307692  0.307692  0.307692    0.00045517 105 t-inv F
  0.000000  0.000000  0.384615    0.00045517 106 t-inv F
  0.076923  0.000000  0.384615    0.00045517 107 t-inv F
  0.153846  0.000000  0.384615    0.00045517 108 t-inv F
  0.230769  0.000000  0.384615    0.00045517 109 t-inv F
  0.307692  0.000000  0.384615    0.00045517 110 t-inv F
  0.384615  0.000000  0.384615    0.00045517 111 t-inv F
  0.461538  0.000000  0.384615    0.00045517 112 t-inv F
  0.076923  0.076923  0.384615    0.00045517 113 t-inv F
  0.153846  0.076923  0.384615    0.00045517 114 t-inv F
  0.230769  0.076923  0.384615    0.00045517 115 t-inv F
  0.307692  0.076923  0.384615    0.00045517 116 t-inv F
  0.384615  0.076923  0.384615    0.00045517 117 t-inv F
  0.461538  0.076923  0.384615    0.00045517 118 t-inv F
  0.153846  0.153846  0.384615    0.00045517 119 t-inv F
  0.230769  0.153846  0.384615    0.00045517 120 t-inv F
  0.307692  0.153846  0.384615    0.00045517 121 t-inv F
  0.384615  0.153846  0.384615    0.00045517 122 t-inv F
  0.230769  0.230769  0.384615    0.00045517 123 t-inv F
  0.307692  0.230769  0.384615    0.00045517 124 t-inv F
  0.384615  0.230769  0.384615    0.00045517 125 t-inv F
  0.307692  0.307692  0.384615    0.00045517 126 t-inv F
  0.000000  0.000000  0.461538    0.00045517 127 t-inv F
  0.076923  0.000000  0.461538    0.00045517 128 t-inv F
  0.153846  0.000000  0.461538    0.00045517 129 t-inv F
  0.230769  0.000000  0.461538    0.00045517 130 t-inv F
  0.307692  0.000000  0.461538    0.00045517 131 t-inv F
  0.384615  0.000000  0.461538    0.00045517 132 t-inv F
  0.461538  0.000000  0.461538    0.00045517 133 t-inv F
  0.076923  0.076923  0.461538    0.00045517 134 t-inv F
  0.153846  0.076923  0.461538    0.00045517 135 t-inv F
  0.230769  0.076923  0.461538    0.00045517 136 t-inv F
  0.307692  0.076923  0.461538    0.00045517 137 t-inv F
  0.384615  0.076923  0.461538    0.00045517 138 t-inv F
  0.461538  0.076923  0.461538    0.00045517 139 t-inv F
  0.153846  0.153846  0.461538    0.00045517 140 t-inv F
  0.230769  0.153846  0.461538    0.00045517 141 t-inv F
  0.307692  0.153846  0.461538    0.00045517 142 t-inv F
  0.384615  0.153846  0.461538    0.00045517 143 t-inv F
  0.230769  0.230769  0.461538    0.00045517 144 t-inv F
  0.307692  0.230769  0.461538    0.00045517 145 t-inv F
  0.384615  0.230769  0.461538    0.00045517 146 t-inv F
  0.307692  0.307692  0.461538    0.00045517 147 t-inv F
 -0.076923  0.076923  0.000000    0.00045517   2 t-inv F
  0.000000 -0.076923  0.000000    0.00045517   2 t-inv F
 -0.000000  0.076923  0.000000    0.00045517   2 t-inv F
 -0.076923 -0.000000  0.000000    0.00045517   2 t-inv F
  0.076923 -0.076923  0.000000    0.00045517   2 t-inv F
 -0.153846  0.153846  0.000000    0.00045517   3 t-inv F
  0.000000 -0.153846  0.000000    0.00045517   3 t-inv F
 -0.000000  0.153846  0.000000    0.00045517   3 t-inv F
 -0.153846 -0.000000  0.000000    0.00045517   3 t-inv F
  0.153846 -0.153846  0.000000    0.00045517   3 t-inv F
 -0.230769  0.230769  0.000000    0.00045517   4 t-inv F
  0.000000 -0.230769  0.000000    0.00045517   4 t-inv F
 -0.000000  0.230769  0.000000    0.00045517   4 t-inv F
 -0.230769 -0.000000  0.000000    0.00045517   4 t-inv F
  0.230769 -0.230769  0.000000    0.00045517   4 t-inv F
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--------------------------------------------------------------------------------------------------------




 Dimension of arrays:
   k-points           NKPTS =    147   k-points in BZ     NKDIM =    147   number of bands    NBANDS=     28
   number of dos      NEDOS =    301   number of ions     NIONS =      6
   non local maximal  LDIM  =      6   non local SUM 2l+1 LMDIM =     18
   total plane-waves  NPLWV =  77760
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  84246
   dimension x,y,z NGX =    36 NGY =   36 NGZ =   60
   dimension x,y,z NGXF=    48 NGYF=   48 NGZF=   80
   support grid    NGXF=    96 NGYF=   96 NGZF=  160
   ions per type =               2   2   2
   NGX,Y,Z   is equivalent  to a cutoff of  13.51, 13.51, 13.94 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  18.01, 18.01, 18.58 a.u.

 SYSTEM =  unknown system                          
 POSCAR =  Sb Zn Li                                

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = high      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  =      2    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  =  623.8 eV  45.85 Ry    6.77 a.u.   9.02  9.02 14.57*2*pi/ulx,y,z
   ENINI  =  623.8     initial cutoff
   ENAUG  =  628.9 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  2; NELMDL= -5     # of ELM steps 
   EDIFF  = 0.1E-03   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-02   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  =      1    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      2    stress and relaxation
   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps =****** mass=  -0.449E-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 = 121.75 65.39  7.01
  Ionic Valenz
   ZVAL   =   5.00 12.00  3.00
  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-06  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      20.28       136.87
  Fermi-wavevector in a.u.,A,eV,Ry     =   1.129813  2.135036 17.367521  1.276477
  Thomas-Fermi vector in A             =   2.266507

 Write flags
   LWAVE        =      F    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      T    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    =     T    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
 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  :      623.79
  volume of cell :      121.69
      direct lattice vectors                 reciprocal lattice vectors
     4.430999755  0.000000000  0.000000000     0.225682703  0.130297969 -0.000000000
    -2.215499877  3.837358352  0.000000000     0.000000000  0.260595938 -0.000000000
     0.000000000  0.000000000  7.157000062     0.000000000 -0.000000000  0.139723347

  length of vectors
     4.430999755  4.430999755  7.157000062     0.260595938  0.260595938  0.139723347



 k-points in units of 2pi/SCALE and weight: Automatic mesh                          
   0.00000000  0.00000000  0.00000000       0.000
   0.01736021  0.01002292  0.00000000       0.003
   0.03472042  0.02004584  0.00000000       0.003
   0.05208062  0.03006876  0.00000000       0.003
   0.06944083  0.04009168  0.00000000       0.003
   0.08680104  0.05011460  0.00000000       0.003
   0.10416125  0.06013752  0.00000000       0.003
   0.01736021  0.03006876  0.00000000       0.003
   0.03472042  0.04009168  0.00000000       0.005
   0.05208062  0.05011460  0.00000000       0.005
   0.06944083  0.06013752  0.00000000       0.005
   0.08680104  0.07016044  0.00000000       0.005
   0.10416125  0.08018337  0.00000000       0.003
   0.03472042  0.06013752  0.00000000       0.003
   0.05208062  0.07016044  0.00000000       0.005
   0.06944083  0.08018337  0.00000000       0.005
   0.08680104  0.09020629  0.00000000       0.005
   0.05208062  0.09020629  0.00000000       0.003
   0.06944083  0.10022921  0.00000000       0.005
   0.08680104  0.11025213  0.00000000       0.003
   0.06944083  0.12027505  0.00000000       0.003
   0.00000000  0.00000000  0.01074795       0.001
   0.01736021  0.01002292  0.01074795       0.005
   0.03472042  0.02004584  0.01074795       0.005
   0.05208062  0.03006876  0.01074795       0.005
   0.06944083  0.04009168  0.01074795       0.005
   0.08680104  0.05011460  0.01074795       0.005
   0.10416125  0.06013752  0.01074795       0.005
   0.01736021  0.03006876  0.01074795       0.005
   0.03472042  0.04009168  0.01074795       0.011
   0.05208062  0.05011460  0.01074795       0.011
   0.06944083  0.06013752  0.01074795       0.011
   0.08680104  0.07016044  0.01074795       0.011
   0.10416125  0.08018337  0.01074795       0.005
   0.03472042  0.06013752  0.01074795       0.005
   0.05208062  0.07016044  0.01074795       0.011
   0.06944083  0.08018337  0.01074795       0.011
   0.08680104  0.09020629  0.01074795       0.011
   0.05208062  0.09020629  0.01074795       0.005
   0.06944083  0.10022921  0.01074795       0.011
   0.08680104  0.11025213  0.01074795       0.005
   0.06944083  0.12027505  0.01074795       0.005
   0.00000000  0.00000000  0.02149590       0.001
   0.01736021  0.01002292  0.02149590       0.005
   0.03472042  0.02004584  0.02149590       0.005
   0.05208062  0.03006876  0.02149590       0.005
   0.06944083  0.04009168  0.02149590       0.005
   0.08680104  0.05011460  0.02149590       0.005
   0.10416125  0.06013752  0.02149590       0.005
   0.01736021  0.03006876  0.02149590       0.005
   0.03472042  0.04009168  0.02149590       0.011
   0.05208062  0.05011460  0.02149590       0.011
   0.06944083  0.06013752  0.02149590       0.011
   0.08680104  0.07016044  0.02149590       0.011
   0.10416125  0.08018337  0.02149590       0.005
   0.03472042  0.06013752  0.02149590       0.005
   0.05208062  0.07016044  0.02149590       0.011
   0.06944083  0.08018337  0.02149590       0.011
   0.08680104  0.09020629  0.02149590       0.011
   0.05208062  0.09020629  0.02149590       0.005
   0.06944083  0.10022921  0.02149590       0.011
   0.08680104  0.11025213  0.02149590       0.005
   0.06944083  0.12027505  0.02149590       0.005
   0.00000000  0.00000000  0.03224385       0.001
   0.01736021  0.01002292  0.03224385       0.005
   0.03472042  0.02004584  0.03224385       0.005
   0.05208062  0.03006876  0.03224385       0.005
   0.06944083  0.04009168  0.03224385       0.005
   0.08680104  0.05011460  0.03224385       0.005
   0.10416125  0.06013752  0.03224385       0.005
   0.01736021  0.03006876  0.03224385       0.005
   0.03472042  0.04009168  0.03224385       0.011
   0.05208062  0.05011460  0.03224385       0.011
   0.06944083  0.06013752  0.03224385       0.011
   0.08680104  0.07016044  0.03224385       0.011
   0.10416125  0.08018337  0.03224385       0.005
   0.03472042  0.06013752  0.03224385       0.005
   0.05208062  0.07016044  0.03224385       0.011
   0.06944083  0.08018337  0.03224385       0.011
   0.08680104  0.09020629  0.03224385       0.011
   0.05208062  0.09020629  0.03224385       0.005
   0.06944083  0.10022921  0.03224385       0.011
   0.08680104  0.11025213  0.03224385       0.005
   0.06944083  0.12027505  0.03224385       0.005
   0.00000000  0.00000000  0.04299180       0.001
   0.01736021  0.01002292  0.04299180       0.005
   0.03472042  0.02004584  0.04299180       0.005
   0.05208062  0.03006876  0.04299180       0.005
   0.06944083  0.04009168  0.04299180       0.005
   0.08680104  0.05011460  0.04299180       0.005
   0.10416125  0.06013752  0.04299180       0.005
   0.01736021  0.03006876  0.04299180       0.005
   0.03472042  0.04009168  0.04299180       0.011
   0.05208062  0.05011460  0.04299180       0.011
   0.06944083  0.06013752  0.04299180       0.011
   0.08680104  0.07016044  0.04299180       0.011
   0.10416125  0.08018337  0.04299180       0.005
   0.03472042  0.06013752  0.04299180       0.005
   0.05208062  0.07016044  0.04299180       0.011
   0.06944083  0.08018337  0.04299180       0.011
   0.08680104  0.09020629  0.04299180       0.011
   0.05208062  0.09020629  0.04299180       0.005
   0.06944083  0.10022921  0.04299180       0.011
   0.08680104  0.11025213  0.04299180       0.005
   0.06944083  0.12027505  0.04299180       0.005
   0.00000000  0.00000000  0.05373975       0.001
   0.01736021  0.01002292  0.05373975       0.005
   0.03472042  0.02004584  0.05373975       0.005
   0.05208062  0.03006876  0.05373975       0.005
   0.06944083  0.04009168  0.05373975       0.005
   0.08680104  0.05011460  0.05373975       0.005
   0.10416125  0.06013752  0.05373975       0.005
   0.01736021  0.03006876  0.05373975       0.005
   0.03472042  0.04009168  0.05373975       0.011
   0.05208062  0.05011460  0.05373975       0.011
   0.06944083  0.06013752  0.05373975       0.011
   0.08680104  0.07016044  0.05373975       0.011
   0.10416125  0.08018337  0.05373975       0.005
   0.03472042  0.06013752  0.05373975       0.005
   0.05208062  0.07016044  0.05373975       0.011
   0.06944083  0.08018337  0.05373975       0.011
   0.08680104  0.09020629  0.05373975       0.011
   0.05208062  0.09020629  0.05373975       0.005
   0.06944083  0.10022921  0.05373975       0.011
   0.08680104  0.11025213  0.05373975       0.005
   0.06944083  0.12027505  0.05373975       0.005
   0.00000000  0.00000000  0.06448770       0.001
   0.01736021  0.01002292  0.06448770       0.005
   0.03472042  0.02004584  0.06448770       0.005
   0.05208062  0.03006876  0.06448770       0.005
   0.06944083  0.04009168  0.06448770       0.005
   0.08680104  0.05011460  0.06448770       0.005
   0.10416125  0.06013752  0.06448770       0.005
   0.01736021  0.03006876  0.06448770       0.005
   0.03472042  0.04009168  0.06448770       0.011
   0.05208062  0.05011460  0.06448770       0.011
   0.06944083  0.06013752  0.06448770       0.011
   0.08680104  0.07016044  0.06448770       0.011
   0.10416125  0.08018337  0.06448770       0.005
   0.03472042  0.06013752  0.06448770       0.005
   0.05208062  0.07016044  0.06448770       0.011
   0.06944083  0.08018337  0.06448770       0.011
   0.08680104  0.09020629  0.06448770       0.011
   0.05208062  0.09020629  0.06448770       0.005
   0.06944083  0.10022921  0.06448770       0.011
   0.08680104  0.11025213  0.06448770       0.005
   0.06944083  0.12027505  0.06448770       0.005

 k-points in reciprocal lattice and weights: Automatic mesh                          
   0.00000000  0.00000000  0.00000000       0.000
   0.07692308  0.00000000  0.00000000       0.003
   0.15384615  0.00000000  0.00000000       0.003
   0.23076923  0.00000000  0.00000000       0.003
   0.30769231  0.00000000  0.00000000       0.003
   0.38461538  0.00000000  0.00000000       0.003
   0.46153846  0.00000000  0.00000000       0.003
   0.07692308  0.07692308  0.00000000       0.003
   0.15384615  0.07692308  0.00000000       0.005
   0.23076923  0.07692308  0.00000000       0.005
   0.30769231  0.07692308  0.00000000       0.005
   0.38461538  0.07692308  0.00000000       0.005
   0.46153846  0.07692308  0.00000000       0.003
   0.15384615  0.15384615  0.00000000       0.003
   0.23076923  0.15384615  0.00000000       0.005
   0.30769231  0.15384615  0.00000000       0.005
   0.38461538  0.15384615  0.00000000       0.005
   0.23076923  0.23076923  0.00000000       0.003
   0.30769231  0.23076923  0.00000000       0.005
   0.38461538  0.23076923  0.00000000       0.003
   0.30769231  0.30769231  0.00000000       0.003
   0.00000000  0.00000000  0.07692308       0.001
   0.07692308  0.00000000  0.07692308       0.005
   0.15384615  0.00000000  0.07692308       0.005
   0.23076923  0.00000000  0.07692308       0.005
   0.30769231  0.00000000  0.07692308       0.005
   0.38461538  0.00000000  0.07692308       0.005
   0.46153846  0.00000000  0.07692308       0.005
   0.07692308  0.07692308  0.07692308       0.005
   0.15384615  0.07692308  0.07692308       0.011
   0.23076923  0.07692308  0.07692308       0.011
   0.30769231  0.07692308  0.07692308       0.011
   0.38461538  0.07692308  0.07692308       0.011
   0.46153846  0.07692308  0.07692308       0.005
   0.15384615  0.15384615  0.07692308       0.005
   0.23076923  0.15384615  0.07692308       0.011
   0.30769231  0.15384615  0.07692308       0.011
   0.38461538  0.15384615  0.07692308       0.011
   0.23076923  0.23076923  0.07692308       0.005
   0.30769231  0.23076923  0.07692308       0.011
   0.38461538  0.23076923  0.07692308       0.005
   0.30769231  0.30769231  0.07692308       0.005
   0.00000000  0.00000000  0.15384615       0.001
   0.07692308  0.00000000  0.15384615       0.005
   0.15384615  0.00000000  0.15384615       0.005
   0.23076923  0.00000000  0.15384615       0.005
   0.30769231  0.00000000  0.15384615       0.005
   0.38461538  0.00000000  0.15384615       0.005
   0.46153846  0.00000000  0.15384615       0.005
   0.07692308  0.07692308  0.15384615       0.005
   0.15384615  0.07692308  0.15384615       0.011
   0.23076923  0.07692308  0.15384615       0.011
   0.30769231  0.07692308  0.15384615       0.011
   0.38461538  0.07692308  0.15384615       0.011
   0.46153846  0.07692308  0.15384615       0.005
   0.15384615  0.15384615  0.15384615       0.005
   0.23076923  0.15384615  0.15384615       0.011
   0.30769231  0.15384615  0.15384615       0.011
   0.38461538  0.15384615  0.15384615       0.011
   0.23076923  0.23076923  0.15384615       0.005
   0.30769231  0.23076923  0.15384615       0.011
   0.38461538  0.23076923  0.15384615       0.005
   0.30769231  0.30769231  0.15384615       0.005
   0.00000000  0.00000000  0.23076923       0.001
   0.07692308  0.00000000  0.23076923       0.005
   0.15384615  0.00000000  0.23076923       0.005
   0.23076923  0.00000000  0.23076923       0.005
   0.30769231  0.00000000  0.23076923       0.005
   0.38461538  0.00000000  0.23076923       0.005
   0.46153846  0.00000000  0.23076923       0.005
   0.07692308  0.07692308  0.23076923       0.005
   0.15384615  0.07692308  0.23076923       0.011
   0.23076923  0.07692308  0.23076923       0.011
   0.30769231  0.07692308  0.23076923       0.011
   0.38461538  0.07692308  0.23076923       0.011
   0.46153846  0.07692308  0.23076923       0.005
   0.15384615  0.15384615  0.23076923       0.005
   0.23076923  0.15384615  0.23076923       0.011
   0.30769231  0.15384615  0.23076923       0.011
   0.38461538  0.15384615  0.23076923       0.011
   0.23076923  0.23076923  0.23076923       0.005
   0.30769231  0.23076923  0.23076923       0.011
   0.38461538  0.23076923  0.23076923       0.005
   0.30769231  0.30769231  0.23076923       0.005
   0.00000000  0.00000000  0.30769231       0.001
   0.07692308  0.00000000  0.30769231       0.005
   0.15384615  0.00000000  0.30769231       0.005
   0.23076923  0.00000000  0.30769231       0.005
   0.30769231  0.00000000  0.30769231       0.005
   0.38461538  0.00000000  0.30769231       0.005
   0.46153846  0.00000000  0.30769231       0.005
   0.07692308  0.07692308  0.30769231       0.005
   0.15384615  0.07692308  0.30769231       0.011
   0.23076923  0.07692308  0.30769231       0.011
   0.30769231  0.07692308  0.30769231       0.011
   0.38461538  0.07692308  0.30769231       0.011
   0.46153846  0.07692308  0.30769231       0.005
   0.15384615  0.15384615  0.30769231       0.005
   0.23076923  0.15384615  0.30769231       0.011
   0.30769231  0.15384615  0.30769231       0.011
   0.38461538  0.15384615  0.30769231       0.011
   0.23076923  0.23076923  0.30769231       0.005
   0.30769231  0.23076923  0.30769231       0.011
   0.38461538  0.23076923  0.30769231       0.005
   0.30769231  0.30769231  0.30769231       0.005
   0.00000000  0.00000000  0.38461538       0.001
   0.07692308  0.00000000  0.38461538       0.005
   0.15384615  0.00000000  0.38461538       0.005
   0.23076923  0.00000000  0.38461538       0.005
   0.30769231  0.00000000  0.38461538       0.005
   0.38461538  0.00000000  0.38461538       0.005
   0.46153846  0.00000000  0.38461538       0.005
   0.07692308  0.07692308  0.38461538       0.005
   0.15384615  0.07692308  0.38461538       0.011
   0.23076923  0.07692308  0.38461538       0.011
   0.30769231  0.07692308  0.38461538       0.011
   0.38461538  0.07692308  0.38461538       0.011
   0.46153846  0.07692308  0.38461538       0.005
   0.15384615  0.15384615  0.38461538       0.005
   0.23076923  0.15384615  0.38461538       0.011
   0.30769231  0.15384615  0.38461538       0.011
   0.38461538  0.15384615  0.38461538       0.011
   0.23076923  0.23076923  0.38461538       0.005
   0.30769231  0.23076923  0.38461538       0.011
   0.38461538  0.23076923  0.38461538       0.005
   0.30769231  0.30769231  0.38461538       0.005
   0.00000000  0.00000000  0.46153846       0.001
   0.07692308  0.00000000  0.46153846       0.005
   0.15384615  0.00000000  0.46153846       0.005
   0.23076923  0.00000000  0.46153846       0.005
   0.30769231  0.00000000  0.46153846       0.005
   0.38461538  0.00000000  0.46153846       0.005
   0.46153846  0.00000000  0.46153846       0.005
   0.07692308  0.07692308  0.46153846       0.005
   0.15384615  0.07692308  0.46153846       0.011
   0.23076923  0.07692308  0.46153846       0.011
   0.30769231  0.07692308  0.46153846       0.011
   0.38461538  0.07692308  0.46153846       0.011
   0.46153846  0.07692308  0.46153846       0.005
   0.15384615  0.15384615  0.46153846       0.005
   0.23076923  0.15384615  0.46153846       0.011
   0.30769231  0.15384615  0.46153846       0.011
   0.38461538  0.15384615  0.46153846       0.011
   0.23076923  0.23076923  0.46153846       0.005
   0.30769231  0.23076923  0.46153846       0.011
   0.38461538  0.23076923  0.46153846       0.005
   0.30769231  0.30769231  0.46153846       0.005

 position of ions in fractional coordinates (direct lattice) 
   0.66666667  0.33333333  0.88500000
   0.33333333  0.66666667  0.38500000
   0.66666667  0.33333333  0.50000000
   0.33333333  0.66666667  0.00000000
   0.00000000  0.00000000  0.69600000
   0.00000000  0.00000000  0.19600000

 position of ions in cartesian coordinates  (Angst):
   2.21549990  1.27911944  6.33394505
  -0.00000002  2.55823891  2.75544502
   2.21549990  1.27911944  3.57850003
  -0.00000002  2.55823891  0.00000000
   0.00000000  0.00000000  4.98127204
   0.00000000  0.00000000  1.40277201



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


 k-point  1 :   0.0000 0.0000 0.0000  plane waves:    4259
 k-point  2 :   0.0769 0.0000 0.0000  plane waves:    4281
 k-point  3 :   0.1538 0.0000 0.0000  plane waves:    4295
 k-point  4 :   0.2308 0.0000 0.0000  plane waves:    4314
 k-point  5 :   0.3077 0.0000 0.0000  plane waves:    4298
 k-point  6 :   0.3846 0.0000 0.0000  plane waves:    4310
 k-point  7 :   0.4615 0.0000 0.0000  plane waves:    4308
 k-point  8 :   0.0769 0.0769 0.0000  plane waves:    4281
 k-point  9 :   0.1538 0.0769 0.0000  plane waves:    4293
 k-point 10 :   0.2308 0.0769 0.0000  plane waves:    4304
 k-point 11 :   0.3077 0.0769 0.0000  plane waves:    4300
 k-point 12 :   0.3846 0.0769 0.0000  plane waves:    4305
 k-point 13 :   0.4615 0.0769 0.0000  plane waves:    4319
 k-point 14 :   0.1538 0.1538 0.0000  plane waves:    4307
 k-point 15 :   0.2308 0.1538 0.0000  plane waves:    4309
 k-point 16 :   0.3077 0.1538 0.0000  plane waves:    4307
 k-point 17 :   0.3846 0.1538 0.0000  plane waves:    4329
 k-point 18 :   0.2308 0.2308 0.0000  plane waves:    4315
 k-point 19 :   0.3077 0.2308 0.0000  plane waves:    4308
 k-point 20 :   0.3846 0.2308 0.0000  plane waves:    4329
 k-point 21 :   0.3077 0.3077 0.0000  plane waves:    4341
 k-point 22 :   0.0000 0.0000 0.0769  plane waves:    4277
 k-point 23 :   0.0769 0.0000 0.0769  plane waves:    4278
 k-point 24 :   0.1538 0.0000 0.0769  plane waves:    4287
 k-point 25 :   0.2308 0.0000 0.0769  plane waves:    4303
 k-point 26 :   0.3077 0.0000 0.0769  plane waves:    4298
 k-point 27 :   0.3846 0.0000 0.0769  plane waves:    4299
 k-point 28 :   0.4615 0.0000 0.0769  plane waves:    4308
 k-point 29 :   0.0769 0.0769 0.0769  plane waves:    4282
 k-point 30 :   0.1538 0.0769 0.0769  plane waves:    4296
 k-point 31 :   0.2308 0.0769 0.0769  plane waves:    4305
 k-point 32 :   0.3077 0.0769 0.0769  plane waves:    4304
 k-point 33 :   0.3846 0.0769 0.0769  plane waves:    4315
 k-point 34 :   0.4615 0.0769 0.0769  plane waves:    4319
 k-point 35 :   0.1538 0.1538 0.0769  plane waves:    4305
 k-point 36 :   0.2308 0.1538 0.0769  plane waves:    4308
 k-point 37 :   0.3077 0.1538 0.0769  plane waves:    4309
 k-point 38 :   0.3846 0.1538 0.0769  plane waves:    4328
 k-point 39 :   0.2308 0.2308 0.0769  plane waves:    4300
 k-point 40 :   0.3077 0.2308 0.0769  plane waves:    4319
 k-point 41 :   0.3846 0.2308 0.0769  plane waves:    4333
 k-point 42 :   0.3077 0.3077 0.0769  plane waves:    4332
 k-point 43 :   0.0000 0.0000 0.1538  plane waves:    4253
 k-point 44 :   0.0769 0.0000 0.1538  plane waves:    4278
 k-point 45 :   0.1538 0.0000 0.1538  plane waves:    4286
 k-point 46 :   0.2308 0.0000 0.1538  plane waves:    4301
 k-point 47 :   0.3077 0.0000 0.1538  plane waves:    4296
 k-point 48 :   0.3846 0.0000 0.1538  plane waves:    4305
 k-point 49 :   0.4615 0.0000 0.1538  plane waves:    4309
 k-point 50 :   0.0769 0.0769 0.1538  plane waves:    4288
 k-point 51 :   0.1538 0.0769 0.1538  plane waves:    4297
 k-point 52 :   0.2308 0.0769 0.1538  plane waves:    4299
 k-point 53 :   0.3077 0.0769 0.1538  plane waves:    4306
 k-point 54 :   0.3846 0.0769 0.1538  plane waves:    4314
 k-point 55 :   0.4615 0.0769 0.1538  plane waves:    4321
 k-point 56 :   0.1538 0.1538 0.1538  plane waves:    4304
 k-point 57 :   0.2308 0.1538 0.1538  plane waves:    4310
 k-point 58 :   0.3077 0.1538 0.1538  plane waves:    4308
 k-point 59 :   0.3846 0.1538 0.1538  plane waves:    4321
 k-point 60 :   0.2308 0.2308 0.1538  plane waves:    4310
 k-point 61 :   0.3077 0.2308 0.1538  plane waves:    4325
 k-point 62 :   0.3846 0.2308 0.1538  plane waves:    4335
 k-point 63 :   0.3077 0.3077 0.1538  plane waves:    4341
 k-point 64 :   0.0000 0.0000 0.2308  plane waves:    4241
 k-point 65 :   0.0769 0.0000 0.2308  plane waves:    4274
 k-point 66 :   0.1538 0.0000 0.2308  plane waves:    4285
 k-point 67 :   0.2308 0.0000 0.2308  plane waves:    4297
 k-point 68 :   0.3077 0.0000 0.2308  plane waves:    4295
 k-point 69 :   0.3846 0.0000 0.2308  plane waves:    4295
 k-point 70 :   0.4615 0.0000 0.2308  plane waves:    4309
 k-point 71 :   0.0769 0.0769 0.2308  plane waves:    4292
 k-point 72 :   0.1538 0.0769 0.2308  plane waves:    4301
 k-point 73 :   0.2308 0.0769 0.2308  plane waves:    4295
 k-point 74 :   0.3077 0.0769 0.2308  plane waves:    4303
 k-point 75 :   0.3846 0.0769 0.2308  plane waves:    4310
 k-point 76 :   0.4615 0.0769 0.2308  plane waves:    4308
 k-point 77 :   0.1538 0.1538 0.2308  plane waves:    4305
 k-point 78 :   0.2308 0.1538 0.2308  plane waves:    4302
 k-point 79 :   0.3077 0.1538 0.2308  plane waves:    4307
 k-point 80 :   0.3846 0.1538 0.2308  plane waves:    4317
 k-point 81 :   0.2308 0.2308 0.2308  plane waves:    4309
 k-point 82 :   0.3077 0.2308 0.2308  plane waves:    4327
 k-point 83 :   0.3846 0.2308 0.2308  plane waves:    4335
 k-point 84 :   0.3077 0.3077 0.2308  plane waves:    4339
 k-point 85 :   0.0000 0.0000 0.3077  plane waves:    4295
 k-point 86 :   0.0769 0.0000 0.3077  plane waves:    4289
 k-point 87 :   0.1538 0.0000 0.3077  plane waves:    4287
 k-point 88 :   0.2308 0.0000 0.3077  plane waves:    4293
 k-point 89 :   0.3077 0.0000 0.3077  plane waves:    4300
 k-point 90 :   0.3846 0.0000 0.3077  plane waves:    4295
 k-point 91 :   0.4615 0.0000 0.3077  plane waves:    4303
 k-point 92 :   0.0769 0.0769 0.3077  plane waves:    4284
 k-point 93 :   0.1538 0.0769 0.3077  plane waves:    4296
 k-point 94 :   0.2308 0.0769 0.3077  plane waves:    4301
 k-point 95 :   0.3077 0.0769 0.3077  plane waves:    4303
 k-point 96 :   0.3846 0.0769 0.3077  plane waves:    4315
 k-point 97 :   0.4615 0.0769 0.3077  plane waves:    4303
 k-point 98 :   0.1538 0.1538 0.3077  plane waves:    4298
 k-point 99 :   0.2308 0.1538 0.3077  plane waves:    4302
 k-point ** :   0.3077 0.1538 0.3077  plane waves:    4301
 k-point ** :   0.3846 0.1538 0.3077  plane waves:    4317
 k-point ** :   0.2308 0.2308 0.3077  plane waves:    4317
 k-point ** :   0.3077 0.2308 0.3077  plane waves:    4320
 k-point ** :   0.3846 0.2308 0.3077  plane waves:    4332
 k-point ** :   0.3077 0.3077 0.3077  plane waves:    4322
 k-point ** :   0.0000 0.0000 0.3846  plane waves:    4301
 k-point ** :   0.0769 0.0000 0.3846  plane waves:    4288
 k-point ** :   0.1538 0.0000 0.3846  plane waves:    4293
 k-point ** :   0.2308 0.0000 0.3846  plane waves:    4286
 k-point ** :   0.3077 0.0000 0.3846  plane waves:    4305
 k-point ** :   0.3846 0.0000 0.3846  plane waves:    4300
 k-point ** :   0.4615 0.0000 0.3846  plane waves:    4301
 k-point ** :   0.0769 0.0769 0.3846  plane waves:    4299
 k-point ** :   0.1538 0.0769 0.3846  plane waves:    4294
 k-point ** :   0.2308 0.0769 0.3846  plane waves:    4304
 k-point ** :   0.3077 0.0769 0.3846  plane waves:    4301
 k-point ** :   0.3846 0.0769 0.3846  plane waves:    4303
 k-point ** :   0.4615 0.0769 0.3846  plane waves:    4308
 k-point ** :   0.1538 0.1538 0.3846  plane waves:    4310
 k-point ** :   0.2308 0.1538 0.3846  plane waves:    4302
 k-point ** :   0.3077 0.1538 0.3846  plane waves:    4310
 k-point ** :   0.3846 0.1538 0.3846  plane waves:    4313
 k-point ** :   0.2308 0.2308 0.3846  plane waves:    4317
 k-point ** :   0.3077 0.2308 0.3846  plane waves:    4307
 k-point ** :   0.3846 0.2308 0.3846  plane waves:    4306
 k-point ** :   0.3077 0.3077 0.3846  plane waves:    4304
 k-point ** :   0.0000 0.0000 0.4615  plane waves:    4290
 k-point ** :   0.0769 0.0000 0.4615  plane waves:    4285
 k-point ** :   0.1538 0.0000 0.4615  plane waves:    4285
 k-point ** :   0.2308 0.0000 0.4615  plane waves:    4308
 k-point ** :   0.3077 0.0000 0.4615  plane waves:    4302
 k-point ** :   0.3846 0.0000 0.4615  plane waves:    4297
 k-point ** :   0.4615 0.0000 0.4615  plane waves:    4298
 k-point ** :   0.0769 0.0769 0.4615  plane waves:    4292
 k-point ** :   0.1538 0.0769 0.4615  plane waves:    4303
 k-point ** :   0.2308 0.0769 0.4615  plane waves:    4296
 k-point ** :   0.3077 0.0769 0.4615  plane waves:    4303
 k-point ** :   0.3846 0.0769 0.4615  plane waves:    4307
 k-point ** :   0.4615 0.0769 0.4615  plane waves:    4298
 k-point ** :   0.1538 0.1538 0.4615  plane waves:    4304
 k-point ** :   0.2308 0.1538 0.4615  plane waves:    4304
 k-point ** :   0.3077 0.1538 0.4615  plane waves:    4318
 k-point ** :   0.3846 0.1538 0.4615  plane waves:    4304
 k-point ** :   0.2308 0.2308 0.4615  plane waves:    4307
 k-point ** :   0.3077 0.2308 0.4615  plane waves:    4312
 k-point ** :   0.3846 0.2308 0.4615  plane waves:    4293
 k-point ** :   0.3077 0.3077 0.4615  plane waves:    4302

 maximum and minimum number of plane-waves per node :      4341     4241

 maximum number of plane-waves:      4341
 maximum index in each direction: 
   IXMAX=    9   IYMAX=    9   IZMAX=   14
   IXMIN=   -9   IYMIN=   -9   IZMIN=  -15


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


 total amount of memory used by VASP MPI-rank0   625816. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :     276151. kBytes
   fftplans  :      14253. kBytes
   grid      :      14538. kBytes
   one-center:        186. kBytes
   wavefun   :     290688. kBytes

     INWAV:  cpu time    0.0000: real time    0.0001
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 19   NGY = 19   NGZ = 29
  (NGX  = 48   NGY  = 48   NGZ  = 80)
  gives a total of  10469 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron      40.0000000 magnetization       6.0000000
 keeping initial charge density in first step


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


 Maximum index for augmentation-charges        40888 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.358
 Maximum number of real-space cells 3x 3x 2
 Maximum number of reciprocal cells 3x 3x 4

    FEWALD:  cpu time    0.0000: real time    0.0013


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


    POTLOK:  cpu time    0.3360: real time    0.3652
    SETDIJ:  cpu time    0.3080: real time    0.3280
     EDDAV:  cpu time  118.7560: real time  157.4473
       DOS:  cpu time    0.0080: real time    0.0079
    --------------------------------------------
      LOOP:  cpu time  119.4080: real time  158.1485

 eigenvalue-minimisations  : 16464
 total energy-change (2. order) : 0.2562126E+03  (-0.1927762E+04)
 number of electron      40.0000000 magnetization       6.0000000
 augmentation part       40.0000000 magnetization       6.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        83.91691228
  Ewald energy   TEWEN  =     -2349.88847660
  -Hartree energ DENC   =     -1529.95546024
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        48.08117042
  PAW double counting   =      3396.50262297    -3674.33965891
  entropy T*S    EENTRO =        -0.00003859
  eigenvalues    EBANDS =        78.77287717
  atomic energy  EATOM  =      4203.12262686
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       256.21257535 eV

  energy without entropy =      256.21261394  energy(sigma->0) =      256.21259465


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




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


     EDDAV:  cpu time  111.6920: real time  142.0237
       DOS:  cpu time    0.0080: real time    0.0257
    --------------------------------------------
      LOOP:  cpu time  111.7000: real time  142.0493

 eigenvalue-minimisations  : 16704
 total energy-change (2. order) :-0.2456149E+03  (-0.2393237E+03)
 number of electron      40.0000000 magnetization       6.0000000
 augmentation part       40.0000000 magnetization       6.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        83.91691228
  Ewald energy   TEWEN  =     -2349.88847660
  -Hartree energ DENC   =     -1529.95546024
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        48.08117042
  PAW double counting   =      3396.50262297    -3674.33965891
  entropy T*S    EENTRO =        -0.00009466
  eigenvalues    EBANDS =      -166.84193675
  atomic energy  EATOM  =      4203.12262686
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        10.59770536 eV

  energy without entropy =       10.59780003  energy(sigma->0) =       10.59775269


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




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


     EDDAV:  cpu time  148.9160: real time  180.2091
       DOS:  cpu time    0.0080: real time    0.0066
    --------------------------------------------
      LOOP:  cpu time  148.9240: real time  180.2158

 eigenvalue-minimisations  : 23968
 total energy-change (2. order) :-0.2316589E+02  (-0.2291674E+02)
 number of electron      40.0000000 magnetization       6.0000000
 augmentation part       40.0000000 magnetization       6.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        83.91691228
  Ewald energy   TEWEN  =     -2349.88847660
  -Hartree energ DENC   =     -1529.95546024
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        48.08117042
  PAW double counting   =      3396.50262297    -3674.33965891
  entropy T*S    EENTRO =        -0.00000835
  eigenvalues    EBANDS =      -190.00790936
  atomic energy  EATOM  =      4203.12262686
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -12.56818093 eV

  energy without entropy =      -12.56817258  energy(sigma->0) =      -12.56817676


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




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


     EDDAV:  cpu time  166.7080: real time  212.1437
       DOS:  cpu time    0.0080: real time    0.0078
    --------------------------------------------
      LOOP:  cpu time  166.7160: real time  212.1516

 eigenvalue-minimisations  : 27272
 total energy-change (2. order) :-0.1840897E+01  (-0.1820680E+01)
 number of electron      40.0000000 magnetization       6.0000000
 augmentation part       40.0000000 magnetization       6.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        83.91691228
  Ewald energy   TEWEN  =     -2349.88847660
  -Hartree energ DENC   =     -1529.95546024
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        48.08117042
  PAW double counting   =      3396.50262297    -3674.33965891
  entropy T*S    EENTRO =        -0.00000914
  eigenvalues    EBANDS =      -191.84880578
  atomic energy  EATOM  =      4203.12262686
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -14.40907815 eV

  energy without entropy =      -14.40906901  energy(sigma->0) =      -14.40907358


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




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


     EDDAV:  cpu time  136.8040: real time  167.8678
       DOS:  cpu time    0.0040: real time    0.0059
    CHARGE:  cpu time    7.6440: real time   10.8017
    MIXING:  cpu time    0.0120: real time    0.0151
    --------------------------------------------
      LOOP:  cpu time  144.4640: real time  178.6906

 eigenvalue-minimisations  : 21748
 total energy-change (2. order) :-0.8361081E-01  (-0.8358707E-01)
 number of electron      39.9999998 magnetization       1.8259554
 augmentation part       16.1690706 magnetization       1.7905086

 Broyden mixing:
  rms(total) = 0.17587E+01    rms(broyden)= 0.17587E+01
  rms(prec ) = 0.18355E+01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        83.91691228
  Ewald energy   TEWEN  =     -2349.88847660
  -Hartree energ DENC   =     -1529.95546024
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        48.08117042
  PAW double counting   =      3396.50262297    -3674.33965891
  entropy T*S    EENTRO =        -0.00001146
  eigenvalues    EBANDS =      -191.93241427
  atomic energy  EATOM  =      4203.12262686
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -14.49268896 eV

  energy without entropy =      -14.49267750  energy(sigma->0) =      -14.49268323


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




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


    POTLOK:  cpu time    0.3240: real time    0.4908
    SETDIJ:  cpu time    0.2920: real time    0.4431
     EDDAV:  cpu time  166.1720: real time  200.1116
       DOS:  cpu time    0.0040: real time    0.0062
    CHARGE:  cpu time    9.2520: real time   10.3980
    MIXING:  cpu time    0.0080: real time    0.0071
    --------------------------------------------
      LOOP:  cpu time  176.0520: real time  211.4568

 eigenvalue-minimisations  : 27820
 total energy-change (2. order) :-0.1191815E+01  (-0.4051037E+00)
 number of electron      39.9999998 magnetization       0.8865054
 augmentation part       16.4519173 magnetization       0.8937029

 Broyden mixing:
  rms(total) = 0.82066E+00    rms(broyden)= 0.82065E+00
  rms(prec ) = 0.83661E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7070
  0.7070

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        83.91691228
  Ewald energy   TEWEN  =     -2349.88847660
  -Hartree energ DENC   =     -1502.16088639
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        46.72399637
  PAW double counting   =      3569.14713757    -3840.34761960
  entropy T*S    EENTRO =        -0.00000235
  eigenvalues    EBANDS =      -226.19819217
  atomic energy  EATOM  =      4203.12262686
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -15.68450403 eV

  energy without entropy =      -15.68450168  energy(sigma->0) =      -15.68450285


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




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


    POTLOK:  cpu time    0.3720: real time    0.4729
    SETDIJ:  cpu time    0.3240: real time    0.4009
     EDDAV:  cpu time  135.0920: real time  167.6821
       DOS:  cpu time    0.0000: real time    0.0022
    CHARGE:  cpu time    8.1720: real time   11.8466
    MIXING:  cpu time    0.0040: real time    0.0061
    --------------------------------------------
      LOOP:  cpu time  143.9640: real time  180.4108

 eigenvalue-minimisations  : 20276
 total energy-change (2. order) :-0.7343794E+00  (-0.6397543E-01)
 number of electron      39.9999998 magnetization      -0.0197360
 augmentation part       16.4496508 magnetization       0.0025371

 Broyden mixing:
  rms(total) = 0.30686E+00    rms(broyden)= 0.30686E+00
  rms(prec ) = 0.32484E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9118
  1.1379  0.6856

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        83.91691228
  Ewald energy   TEWEN  =     -2349.88847660
  -Hartree energ DENC   =     -1501.83924753
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        46.47545189
  PAW double counting   =      3667.15225751    -3941.78156894
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -223.57683894
  atomic energy  EATOM  =      4203.12262686
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.41888347 eV

  energy without entropy =      -16.41888347  energy(sigma->0) =      -16.41888347


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




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


    POTLOK:  cpu time    0.2920: real time    0.4558
    SETDIJ:  cpu time    0.3080: real time    0.5110
     EDDAV:  cpu time  127.3040: real time  170.5403
       DOS:  cpu time    0.0040: real time    0.0023
    CHARGE:  cpu time    8.5000: real time    9.9239
    MIXING:  cpu time    0.0120: real time    0.0124
    --------------------------------------------
      LOOP:  cpu time  136.4200: real time  181.4459

 eigenvalue-minimisations  : 19852
 total energy-change (2. order) :-0.7236302E-01  (-0.2112885E-01)
 number of electron      39.9999998 magnetization      -0.1811568
 augmentation part       16.4033303 magnetization      -0.1710930

 Broyden mixing:
  rms(total) = 0.13430E+00    rms(broyden)= 0.13429E+00
  rms(prec ) = 0.14454E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0974
  1.8729  0.7775  0.6416

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        83.91691228
  Ewald energy   TEWEN  =     -2349.88847660
  -Hartree energ DENC   =     -1500.02766670
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        46.52206485
  PAW double counting   =      3836.60255678    -4114.55092680
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -222.18833716
  atomic energy  EATOM  =      4203.12262686
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.49124648 eV

  energy without entropy =      -16.49124648  energy(sigma->0) =      -16.49124648


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




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


    POTLOK:  cpu time    0.3480: real time    0.4511
    SETDIJ:  cpu time    0.2480: real time    0.3131
     EDDAV:  cpu time  140.6240: real time  177.5714
       DOS:  cpu time    0.0000: real time    0.0028
    CHARGE:  cpu time    8.1200: real time   10.6271
    MIXING:  cpu time    0.0160: real time    0.0166
    --------------------------------------------
      LOOP:  cpu time  149.3560: real time  188.9820

 eigenvalue-minimisations  : 22588
 total energy-change (2. order) :-0.9744751E-03  (-0.2237052E-02)
 number of electron      39.9999998 magnetization      -0.0382709
 augmentation part       16.4070879 magnetization      -0.0375696

 Broyden mixing:
  rms(total) = 0.43318E-01    rms(broyden)= 0.43317E-01
  rms(prec ) = 0.47702E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1991
  2.2088  1.1872  0.7600  0.6403

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        83.91691228
  Ewald energy   TEWEN  =     -2349.88847660
  -Hartree energ DENC   =     -1497.70791343
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        46.51009705
  PAW double counting   =      3934.78791178    -4213.64870634
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -223.58467256
  atomic energy  EATOM  =      4203.12262686
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.49222096 eV

  energy without entropy =      -16.49222096  energy(sigma->0) =      -16.49222096


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




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


    POTLOK:  cpu time    0.4240: real time    0.7248
    SETDIJ:  cpu time    0.3760: real time    0.6365
     EDDAV:  cpu time  118.8960: real time  148.6002
       DOS:  cpu time    0.0040: real time    0.0032
    CHARGE:  cpu time    8.4440: real time    8.8142
    MIXING:  cpu time    0.0080: real time    0.0083
    --------------------------------------------
      LOOP:  cpu time  128.1520: real time  158.7872

 eigenvalue-minimisations  : 18440
 total energy-change (2. order) :-0.2325662E-02  (-0.4842312E-03)
 number of electron      39.9999998 magnetization      -0.0011238
 augmentation part       16.4116612 magnetization      -0.0003236

 Broyden mixing:
  rms(total) = 0.12867E-01    rms(broyden)= 0.12866E-01
  rms(prec ) = 0.14592E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2031
  2.4421  1.3683  0.8379  0.7191  0.6481

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        83.91691228
  Ewald energy   TEWEN  =     -2349.88847660
  -Hartree energ DENC   =     -1496.84771997
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        46.50716540
  PAW double counting   =      3973.44108159    -4252.62651054
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -224.11962564
  atomic energy  EATOM  =      4203.12262686
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.49454662 eV

  energy without entropy =      -16.49454662  energy(sigma->0) =      -16.49454662


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




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


    POTLOK:  cpu time    0.3840: real time    0.4029
    SETDIJ:  cpu time    0.2200: real time    0.2263
     EDDAV:  cpu time  118.9040: real time  146.9128
       DOS:  cpu time    0.0000: real time    0.0023
    CHARGE:  cpu time   10.0040: real time   10.4339
    MIXING:  cpu time    0.0200: real time    0.0189
    --------------------------------------------
      LOOP:  cpu time  129.5320: real time  157.9971

 eigenvalue-minimisations  : 18164
 total energy-change (2. order) :-0.7331689E-03  (-0.1447940E-03)
 number of electron      39.9999998 magnetization       0.0042438
 augmentation part       16.4102110 magnetization       0.0041985

 Broyden mixing:
  rms(total) = 0.39910E-02    rms(broyden)= 0.39886E-02
  rms(prec ) = 0.49919E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1973
  2.5097  1.4840  1.0987  0.7775  0.6634  0.6505

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        83.91691228
  Ewald energy   TEWEN  =     -2349.88847660
  -Hartree energ DENC   =     -1496.85513575
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        46.51576134
  PAW double counting   =      3981.56250197    -4260.91129838
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -223.95817152
  atomic energy  EATOM  =      4203.12262686
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.49527979 eV

  energy without entropy =      -16.49527979  energy(sigma->0) =      -16.49527979


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




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


    POTLOK:  cpu time    0.4400: real time    0.5140
    SETDIJ:  cpu time    0.3080: real time    0.3846
     EDDAV:  cpu time  112.4320: real time  133.4040
       DOS:  cpu time    0.0040: real time    0.0032
    --------------------------------------------
      LOOP:  cpu time  113.1840: real time  134.3059

 eigenvalue-minimisations  : 16052
 total energy-change (2. order) :-0.3682522E-04  (-0.1602892E-04)
 number of electron      39.9999998 magnetization       0.0042438
 augmentation part       16.4102110 magnetization       0.0041985

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        83.91691228
  Ewald energy   TEWEN  =     -2349.88847660
  -Hartree energ DENC   =     -1496.88031967
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        46.51931510
  PAW double counting   =      3981.96025500    -4261.32287125
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -223.92275833
  atomic energy  EATOM  =      4203.12262686
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -16.49531661 eV

  energy without entropy =      -16.49531661  energy(sigma->0) =      -16.49531661


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




 average (electrostatic) potential at core
  the test charge radii are     1.1712  0.9521  0.7079
  (the norm of the test charge is              1.0000)
       1 -87.6496       2 -87.6496       3 -35.2425       4 -35.2425       5 -61.5444
       6 -61.5444



 E-fermi :   5.2377     XC(G=0):  -9.5137     alpha+bet :-10.2024


 spin component 1

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -42.4628      1.00000
      2     -42.4618      1.00000
      3      -6.2431      1.00000
      4      -5.1410      1.00000
      5      -2.9092      1.00000
      6      -2.9092      1.00000
      7      -2.8756      1.00000
      8      -2.8756      1.00000
      9      -2.8578      1.00000
     10      -2.7401      1.00000
     11      -2.7401      1.00000
     12      -2.7157      1.00000
     13      -2.7157      1.00000
     14      -2.4807      1.00000
     15      -0.8251      1.00000
     16       3.7239      1.00000
     17       3.7239      1.00000
     18       4.7743      1.00000
     19       4.7743      1.00000
     20       5.0228      1.00000
     21       5.3455      0.00000
     22       5.7265      0.00000
     23       6.8867      0.00000
     24       6.8867      0.00000
     25       7.8775      0.00000
     26       8.9818      0.00000
     27       8.9819      0.00000
     28       9.7743      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1     -42.4628      1.00000
      2     -42.4618      1.00000
      3      -6.2005      1.00000
      4      -5.1100      1.00000
      5      -2.9084      1.00000
      6      -2.9054      1.00000
      7      -2.8742      1.00000
      8      -2.8712      1.00000
      9      -2.8544      1.00000
     10      -2.7426      1.00000
     11      -2.7413      1.00000
     12      -2.7191      1.00000
     13      -2.7148      1.00000
     14      -2.4737      1.00000
     15      -0.7924      1.00000
     16       3.1340      1.00000
     17       3.5325      1.00000
     18       4.1937      1.00000
     19       4.7514      1.00000
     20       4.9716      1.00000
     21       5.7382      0.00000
     22       6.0508      0.00000
     23       7.0179      0.00000
     24       7.0197      0.00000
     25       8.0237      0.00000
     26       8.5707      0.00000
     27       9.2089      0.00000
     28       9.4713      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1     -42.4628      1.00000
      2     -42.4618      1.00000
      3      -6.0759      1.00000
      4      -5.0236      1.00000
      5      -2.9039      1.00000
      6      -2.8950      1.00000
      7      -2.8691      1.00000
      8      -2.8588      1.00000
      9      -2.8448      1.00000
     10      -2.7494      1.00000
     11      -2.7437      1.00000
     12      -2.7270      1.00000
     13      -2.7129      1.00000
     14      -2.4526      1.00000
     15      -0.7063      1.00000
     16       2.1916      1.00000
     17       3.1349      1.00000
     18       3.2406      1.00000
     19       4.5908      1.00000
     20       4.6604      1.00000
     21       5.8720      0.00000
     22       6.5743      0.00000
     23       7.3624      0.00000
     24       7.3824      0.00000
     25       7.9010      0.00000
     26       8.9682      0.00000
     27       9.0623      0.00000
     28       9.3493      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1     -42.4628      1.00000
      2     -42.4619      1.00000
      3      -5.8797      1.00000
      4      -4.9024      1.00000
      5      -2.8911      1.00000
      6      -2.8815      1.00000
      7      -2.8586      1.00000
      8      -2.8411      1.00000
      9      -2.8291      1.00000
     10      -2.7577      1.00000
     11      -2.7446      1.00000
     12      -2.7355      1.00000
     13      -2.7108      1.00000
     14      -2.4164      1.00000
     15      -0.6159      1.00000
     16       1.3634      1.00000
     17       2.2541      1.00000
     18       2.7224      1.00000
     19       4.1864      1.00000
     20       4.3229      1.00000
     21       5.8181      0.00000
     22       6.5433      0.00000
     23       7.4477      0.00000
     24       7.6182      0.00000
     25       8.2077      0.00000
     26       9.2976      0.00000
     27       9.5516      0.00000
     28       9.9093      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1     -42.4627      1.00000
      2     -42.4618      1.00000
      3      -5.6336      1.00000
      4      -4.7820      1.00000
      5      -2.8724      1.00000
      6      -2.8691      1.00000
      7      -2.8370      1.00000
      8      -2.8224      1.00000
      9      -2.8059      1.00000
     10      -2.7641      1.00000
     11      -2.7421      1.00000
     12      -2.7395      1.00000
     13      -2.7087      1.00000
     14      -2.3677      1.00000
     15      -0.6368      1.00000
     16       0.8537      1.00000
     17       1.3436      1.00000
     18       2.3752      1.00000
     19       3.6471      1.00000
     20       4.0548      1.00000
     21       5.6794      0.00000
     22       6.3140      0.00000
     23       7.5161      0.00000
     24       7.6098      0.00000
     25       8.4560      0.00000
     26      10.2276      0.00000
     27      10.2859      0.00000
     28      10.4974      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1     -42.4627      1.00000
      2     -42.4618      1.00000
      3      -5.3795      1.00000
      4      -4.7047      1.00000
      5      -2.8629      1.00000
      6      -2.8610      1.00000
      7      -2.8071      1.00000
      8      -2.8055      1.00000
      9      -2.7730      1.00000
     10      -2.7687      1.00000
     11      -2.7366      1.00000
     12      -2.7163      1.00000
     13      -2.7068      1.00000
     14      -2.3420      1.00000
     15      -0.7861      1.00000
     16       0.4684      1.00000
     17       0.8624      1.00000
     18       2.1287      1.00000
     19       3.1422      1.00000
     20       3.8510      1.00000
     21       5.5364      0.00000
     22       6.1157      0.00000
     23       7.5131      0.00000
     24       7.6825      0.00000
     25       8.7643      0.00000
     26      10.3830      0.00000
     27      10.8327      0.00000
     28      11.3156      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1     -42.4627      1.00000
      2     -42.4618      1.00000
      3      -5.1961      1.00000
      4      -4.6879      1.00000
      5      -2.8605      1.00000
      6      -2.8574      1.00000
      7      -2.7987      1.00000
      8      -2.7878      1.00000
      9      -2.7762      1.00000
     10      -2.7583      1.00000
     11      -2.7320      1.00000
     12      -2.7056      1.00000
     13      -2.6215      1.00000
     14      -2.4024      1.00000
     15      -0.8097      1.00000
     16      -0.0644      1.00000
     17       0.9388      1.00000
     18       2.0012      1.00000
     19       2.8064      1.00000
     20       3.7427      1.00000
     21       5.4525      0.00000
     22       6.0098      0.00000
     23       7.4474      0.00000
     24       7.8120      0.00000
     25       9.2144      0.00000
     26       9.8021      0.00000
     27      10.9651      0.00000
     28      11.5128      0.00000

 k-point     8 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1     -42.4628      1.00000
      2     -42.4618      1.00000
      3      -6.1169      1.00000
      4      -5.0513      1.00000
      5      -2.9056      1.00000
      6      -2.8985      1.00000
      7      -2.8704      1.00000
      8      -2.8633      1.00000
      9      -2.8479      1.00000
     10      -2.7466      1.00000
     11      -2.7439      1.00000
     12      -2.7244      1.00000
     13      -2.7136      1.00000
     14      -2.4597      1.00000
     15      -0.7327      1.00000
     16       2.4839      1.00000
     17       3.1047      1.00000
     18       3.6400      1.00000
     19       4.5231      1.00000
     20       4.7833      1.00000
     21       6.1789      0.00000
     22       6.2449      0.00000
     23       7.1693      0.00000
     24       7.3708      0.00000
     25       8.2728      0.00000
     26       8.2829      0.00000
     27       9.2042      0.00000
     28       9.3162      0.00000

 k-point     9 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1     -42.4628      1.00000
      2     -42.4618      1.00000
      3      -5.9561      1.00000
      4      -4.9473      1.00000
      5      -2.8962      1.00000
      6      -2.8871      1.00000
      7      -2.8618      1.00000
      8      -2.8491      1.00000
      9      -2.8353      1.00000
     10      -2.7535      1.00000
     11      -2.7466      1.00000
     12      -2.7320      1.00000
     13      -2.7117      1.00000
     14      -2.4308      1.00000
     15      -0.6412      1.00000
     16       1.7012      1.00000
     17       2.4828      1.00000
     18       2.9014      1.00000
     19       4.1915      1.00000
     20       4.4189      1.00000
     21       6.1739      0.00000
     22       6.6724      0.00000
     23       7.4529      0.00000
     24       7.5584      0.00000
     25       8.0594      0.00000
     26       8.8777      0.00000
     27       9.0751      0.00000
     28       9.6428      0.00000

 k-point    10 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1     -42.4628      1.00000
      2     -42.4618      1.00000
      3      -5.7334      1.00000
      4      -4.8262      1.00000
      5      -2.8779      1.00000
      6      -2.8744      1.00000
      7      -2.8469      1.00000
      8      -2.8303      1.00000
      9      -2.8170      1.00000
     10      -2.7605      1.00000
     11      -2.7464      1.00000
     12      -2.7381      1.00000
     13      -2.7093      1.00000
     14      -2.3862      1.00000
     15      -0.5984      1.00000
     16       1.0734      1.00000
     17       1.7139      1.00000
     18       2.3439      1.00000
     19       3.8490      1.00000
     20       3.9196      1.00000
     21       6.0666      0.00000
     22       6.7485      0.00000
     23       7.3872      0.00000
     24       7.7181      0.00000
     25       8.2928      0.00000
     26       9.1982      0.00000
     27       9.9185      0.00000
     28      10.5549      0.00000

 k-point    11 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1     -42.4627      1.00000
      2     -42.4618      1.00000
      3      -5.4788      1.00000
      4      -4.7285      1.00000
      5      -2.8670      1.00000
      6      -2.8596      1.00000
      7      -2.8202      1.00000
      8      -2.8098      1.00000
      9      -2.7887      1.00000
     10      -2.7651      1.00000
     11      -2.7424      1.00000
     12      -2.7355      1.00000
     13      -2.7054      1.00000
     14      -2.3409      1.00000
     15      -0.7020      1.00000
     16       0.7420      1.00000
     17       0.9886      1.00000
     18       2.0077      1.00000
     19       3.3741      1.00000
     20       3.5772      1.00000
     21       5.9289      0.00000
     22       6.6208      0.00000
     23       7.2648      0.00000
     24       7.8546      0.00000
     25       8.6844      0.00000
     26       9.9647      0.00000
     27      10.6462      0.00000
     28      10.9395      0.00000

 k-point    12 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1     -42.4627      1.00000
      2     -42.4618      1.00000
      3      -5.2486      1.00000
      4      -4.6889      1.00000
      5      -2.8630      1.00000
      6      -2.8532      1.00000
      7      -2.8037      1.00000
      8      -2.7910      1.00000
      9      -2.7713      1.00000
     10      -2.7615      1.00000
     11      -2.7361      1.00000
     12      -2.7116      1.00000
     13      -2.6661      1.00000
     14      -2.3554      1.00000
     15      -0.7999      1.00000
     16       0.1819      1.00000
     17       0.9189      1.00000
     18       1.8377      1.00000
     19       2.9142      1.00000
     20       3.4004      1.00000
     21       5.8209      0.00000
     22       6.4966      0.00000
     23       7.1734      0.00000
     24       8.0577      0.00000
     25       9.0604      0.00000
     26      10.1422      0.00000
     27      10.9910      0.00000
     28      11.1645      0.00000

 k-point    13 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1     -42.4627      1.00000
      2     -42.4618      1.00000
      3      -5.1446      1.00000
      4      -4.6907      1.00000
      5      -2.8621      1.00000
      6      -2.8516      1.00000
      7      -2.7991      1.00000
      8      -2.7813      1.00000
      9      -2.7760      1.00000
     10      -2.7571      1.00000
     11      -2.7339      1.00000
     12      -2.7085      1.00000
     13      -2.5853      1.00000
     14      -2.4225      1.00000
     15      -0.7602      1.00000
     16      -0.1389      1.00000
     17       0.9717      1.00000
     18       1.8002      1.00000
     19       2.7130      1.00000
     20       3.3402      1.00000
     21       5.7813      0.00000
     22       6.4507      0.00000
     23       7.1394      0.00000
     24       8.1559      0.00000
     25       9.5044      0.00000
     26       9.5980      0.00000
     27      11.1549      0.00000
     28      11.3418      0.00000

 k-point    14 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1     -42.4627      1.00000
      2     -42.4619      1.00000
      3      -5.7678      1.00000
      4      -4.8431      1.00000
      5      -2.8783      1.00000
      6      -2.8780      1.00000
      7      -2.8482      1.00000
      8      -2.8350      1.00000
      9      -2.8203      1.00000
     10      -2.7575      1.00000
     11      -2.7497      1.00000
     12      -2.7371      1.00000
     13      -2.7095      1.00000
     14      -2.3925      1.00000
     15      -0.5892      1.00000
     16       1.2569      1.00000
     17       1.7792      1.00000
     18       2.3286      1.00000
     19       3.6115      1.00000
     20       4.0367      1.00000
     21       6.6209      0.00000
     22       6.8741      0.00000
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     25       8.3931      0.00000
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     28      10.6786      0.00000

 k-point    15 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
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     18       1.7635      1.00000
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     25       8.4130      0.00000
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     27       9.7906      0.00000
     28      11.1145      0.00000

 k-point    16 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
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     17       0.9824      1.00000
     18       1.4698      1.00000
     19       2.8185      1.00000
     20       3.0246      1.00000
     21       6.6006      0.00000
     22       6.8264      0.00000
     23       7.5092      0.00000
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     25       8.9812      0.00000
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     27      10.5896      0.00000
     28      10.7968      0.00000

 k-point    17 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1     -42.4627      1.00000
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     17       0.9283      1.00000
     18       1.5046      1.00000
     19       2.6274      1.00000
     20       2.6762      1.00000
     21       6.5930      0.00000
     22       6.6663      0.00000
     23       7.5327      0.00000
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     25       9.4377      0.00000
     26       9.9741      0.00000
     27      10.9111      0.00000
     28      11.2686      0.00000

 k-point    18 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1     -42.4627      1.00000
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     11      -2.7499      1.00000
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     17       1.1235      1.00000
     18       1.2103      1.00000
     19       2.5324      1.00000
     20       3.0711      1.00000
     21       6.6150      0.00000
     22       7.5552      0.00000
     23       7.7010      0.00000
     24       8.4597      0.00000
     25       9.1451      0.00000
     26       9.1682      0.00000
     27      10.0121      0.00000
     28      10.8067      0.00000

 k-point    19 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1     -42.4627      1.00000
      2     -42.4618      1.00000
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     10      -2.7516      1.00000
     11      -2.7477      1.00000
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     16       0.1778      1.00000
     17       0.8025      1.00000
     18       1.3871      1.00000
     19       2.1671      1.00000
     20       2.6066      1.00000
     21       6.4392      0.00000
     22       7.6570      0.00000
     23       8.1893      0.00000
     24       9.0343      0.00000
     25       9.2652      0.00000
     26       9.9329      0.00000
     27      10.3196      0.00000
     28      10.7837      0.00000

 k-point    20 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1     -42.4627      1.00000
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     11      -2.7495      1.00000
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     17       0.6564      1.00000
     18       1.5765      1.00000
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     20       2.3524      1.00000
     21       6.3763      0.00000
     22       7.6507      0.00000
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     25       9.6353      0.00000
     26      10.0576      0.00000
     27      10.7628      0.00000
     28      10.8860      0.00000

 k-point    21 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1     -42.4627      1.00000
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     17       0.5022      1.00000
     18       1.7069      1.00000
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     20       2.1813      1.00000
     21       6.2780      0.00000
     22       8.4579      0.00000
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     25       9.7984      0.00000
     26      10.0323      0.00000
     27      10.3895      0.00000
     28      10.8129      0.00000

 k-point    22 :       0.0000    0.0000    0.0769
  band No.  band energies     occupation 
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     14      -2.5066      1.00000
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     18       4.6680      1.00000
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     21       5.3616      0.00000
     22       6.0352      0.00000
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     25       7.8600      0.00000
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     27       8.8332      0.00000
     28       9.7744      0.00000

 k-point    23 :       0.0769    0.0000    0.0769
  band No.  band energies     occupation 
      1     -42.4628      1.00000
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     11      -2.7407      1.00000
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     16       3.1491      1.00000
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     18       4.0904      1.00000
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     20       4.8190      1.00000
     21       5.7807      0.00000
     22       6.1925      0.00000
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     25       7.9826      0.00000
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     27       9.0348      0.00000
     28       9.5467      0.00000

 k-point    24 :       0.1538    0.0000    0.0769
  band No.  band energies     occupation 
      1     -42.4628      1.00000
      2     -42.4618      1.00000
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     16       2.2100      1.00000
     17       3.1501      1.00000
     18       3.1693      1.00000
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     25       7.8637      0.00000
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     28       9.3035      0.00000

 k-point    25 :       0.2308    0.0000    0.0769
  band No.  band energies     occupation 
      1     -42.4628      1.00000
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     25       8.2756      0.00000
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     28       9.8821      0.00000

 k-point    26 :       0.3077    0.0000    0.0769
  band No.  band energies     occupation 
      1     -42.4627      1.00000
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     25       8.5416      0.00000
     26      10.2475      0.00000
     27      10.2906      0.00000
     28      10.5760      0.00000

 k-point    27 :       0.3846    0.0000    0.0769
  band No.  band energies     occupation 
      1     -42.4627      1.00000
      2     -42.4618      1.00000
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     18       2.1458      1.00000
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     20       3.8080      1.00000
     21       5.5499      0.00000
     22       6.0602      0.00000
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     25       8.7758      0.00000
     26      10.1970      0.00000
     27      10.9248      0.00000
     28      11.3056      0.00000

 k-point    28 :       0.4615    0.0000    0.0769
  band No.  band energies     occupation 
      1     -42.4627      1.00000
      2     -42.4618      1.00000
      3      -5.1882      1.00000
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     11      -2.7318      1.00000
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     14      -2.4055      1.00000
     15      -0.8346      1.00000
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     17       1.0174      1.00000
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     20       3.6992      1.00000
     21       5.4667      0.00000
     22       5.9590      0.00000
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     25       9.0897      0.00000
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     27      11.1849      0.00000
     28      11.7631      0.00000

 k-point    29 :       0.0769    0.0769    0.0769
  band No.  band energies     occupation 
      1     -42.4628      1.00000
      2     -42.4618      1.00000
      3      -6.1047      1.00000
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     10      -2.7457      1.00000
     11      -2.7434      1.00000
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     15      -0.6586      1.00000
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     18       3.5662      1.00000
     19       4.4961      1.00000
     20       4.7097      1.00000
     21       6.1853      0.00000
     22       6.2928      0.00000
     23       7.2260      0.00000
     24       7.3983      0.00000
     25       8.2161      0.00000
     26       8.2379      0.00000
     27       9.2066      0.00000
     28       9.3645      0.00000

 k-point    30 :       0.1538    0.0769    0.0769
  band No.  band energies     occupation 
      1     -42.4628      1.00000
      2     -42.4619      1.00000
      3      -5.9442      1.00000
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     10      -2.7524      1.00000
     11      -2.7463      1.00000
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     14      -2.4536      1.00000
     15      -0.5760      1.00000
     16       1.7245      1.00000
     17       2.4551      1.00000
     18       2.8768      1.00000
     19       4.1542      1.00000
     20       4.4110      1.00000
     21       6.1671      0.00000
     22       6.6277      0.00000
     23       7.4769      0.00000
     24       7.6258      0.00000
     25       8.0299      0.00000
     26       8.8735      0.00000
     27       9.1274      0.00000
     28       9.6582      0.00000

 k-point    31 :       0.2308    0.0769    0.0769
  band No.  band energies     occupation 
      1     -42.4627      1.00000
      2     -42.4618      1.00000
      3      -5.7223      1.00000
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     10      -2.7594      1.00000
     11      -2.7465      1.00000
     12      -2.7383      1.00000
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     14      -2.4070      1.00000
     15      -0.5541      1.00000
     16       1.1088      1.00000
     17       1.6682      1.00000
     18       2.3528      1.00000
     19       3.7988      1.00000
     20       3.9607      1.00000
     21       6.0669      0.00000
     22       6.6530      0.00000
     23       7.4018      0.00000
     24       7.7230      0.00000
     25       8.3402      0.00000
     26       9.2973      0.00000
     27       9.8604      0.00000
     28      10.5358      0.00000

 k-point    32 :       0.3077    0.0769    0.0769
  band No.  band energies     occupation 
      1     -42.4627      1.00000
      2     -42.4618      1.00000
      3      -5.4688      1.00000
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     10      -2.7645      1.00000
     11      -2.7418      1.00000
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     14      -2.3570      1.00000
     15      -0.6901      1.00000
     16       0.7393      1.00000
     17       1.0051      1.00000
     18       2.0238      1.00000
     19       3.3982      1.00000
     20       3.5627      1.00000
     21       5.9395      0.00000
     22       6.5387      0.00000
     23       7.2895      0.00000
     24       7.7832      0.00000
     25       8.7642      0.00000
     26      10.0099      0.00000
     27      10.5933      0.00000
     28      10.7627      0.00000

 k-point    33 :       0.3846    0.0769    0.0769
  band No.  band energies     occupation 
      1     -42.4627      1.00000
      2     -42.4618      1.00000
      3      -5.2402      1.00000
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     10      -2.7595      1.00000
     11      -2.7357      1.00000
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     13      -2.6638      1.00000
     14      -2.3625      1.00000
     15      -0.8156      1.00000
     16       0.1404      1.00000
     17       0.9903      1.00000
     18       1.8578      1.00000
     19       2.9595      1.00000
     20       3.3721      1.00000
     21       5.8344      0.00000
     22       6.4307      0.00000
     23       7.2117      0.00000
     24       7.9786      0.00000
     25       9.0413      0.00000
     26       9.9411      0.00000
     27      11.1207      0.00000
     28      11.1747      0.00000

 k-point    34 :       0.4615    0.0769    0.0769
  band No.  band energies     occupation 
      1     -42.4627      1.00000
      2     -42.4618      1.00000
      3      -5.1372      1.00000
      4      -4.6958      1.00000
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     10      -2.7545      1.00000
     11      -2.7337      1.00000
     12      -2.7092      1.00000
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 k-point    35 :       0.1538    0.1538    0.0769
  band No.  band energies     occupation 
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 k-point    36 :       0.2308    0.1538    0.0769
  band No.  band energies     occupation 
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 k-point    37 :       0.3077    0.1538    0.0769
  band No.  band energies     occupation 
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 k-point    38 :       0.3846    0.1538    0.0769
  band No.  band energies     occupation 
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 k-point    39 :       0.2308    0.2308    0.0769
  band No.  band energies     occupation 
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 k-point    40 :       0.3077    0.2308    0.0769
  band No.  band energies     occupation 
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 k-point    41 :       0.3846    0.2308    0.0769
  band No.  band energies     occupation 
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 k-point    42 :       0.3077    0.3077    0.0769
  band No.  band energies     occupation 
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 k-point    43 :       0.0000    0.0000    0.1538
  band No.  band energies     occupation 
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 k-point    44 :       0.0769    0.0000    0.1538
  band No.  band energies     occupation 
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 k-point    45 :       0.1538    0.0000    0.1538
  band No.  band energies     occupation 
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 k-point    46 :       0.2308    0.0000    0.1538
  band No.  band energies     occupation 
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 k-point    47 :       0.3077    0.0000    0.1538
  band No.  band energies     occupation 
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 k-point    48 :       0.3846    0.0000    0.1538
  band No.  band energies     occupation 
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 k-point    49 :       0.4615    0.0000    0.1538
  band No.  band energies     occupation 
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 k-point    50 :       0.0769    0.0769    0.1538
  band No.  band energies     occupation 
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     27       9.1430      0.00000
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 k-point    51 :       0.1538    0.0769    0.1538
  band No.  band energies     occupation 
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 k-point    52 :       0.2308    0.0769    0.1538
  band No.  band energies     occupation 
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 k-point    53 :       0.3077    0.0769    0.1538
  band No.  band energies     occupation 
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 k-point    54 :       0.3846    0.0769    0.1538
  band No.  band energies     occupation 
      1     -42.4627      1.00000
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     16       0.0289      1.00000
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     18       1.9200      1.00000
     19       3.0434      1.00000
     20       3.3265      1.00000
     21       5.8728      0.00000
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     25       8.8941      0.00000
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     27      11.1687      0.00000
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 k-point    55 :       0.4615    0.0769    0.1538
  band No.  band energies     occupation 
      1     -42.4627      1.00000
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     17       1.2403      1.00000
     18       1.8966      1.00000
     19       2.8707      1.00000
     20       3.2465      1.00000
     21       5.8364      0.00000
     22       6.2177      0.00000
     23       7.2902      0.00000
     24       7.9571      0.00000
     25       8.7018      0.00000
     26       9.6204      0.00000
     27      11.6437      0.00000
     28      11.8611      0.00000

 k-point    56 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
      1     -42.4627      1.00000
      2     -42.4619      1.00000
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     11      -2.7507      1.00000
     12      -2.7373      1.00000
     13      -2.7110      1.00000
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     15      -0.4045      1.00000
     16       1.3997      1.00000
     17       1.6458      1.00000
     18       2.2913      1.00000
     19       3.4862      1.00000
     20       4.1083      1.00000
     21       6.5097      0.00000
     22       6.6683      0.00000
     23       7.6404      0.00000
     24       7.7392      0.00000
     25       8.3283      0.00000
     26       8.5988      0.00000
     27       9.5499      0.00000
     28      10.5081      0.00000

 k-point    57 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
      1     -42.4627      1.00000
      2     -42.4619      1.00000
      3      -5.4914      1.00000
      4      -4.7930      1.00000
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      8      -2.8207      1.00000
      9      -2.7998      1.00000
     10      -2.7600      1.00000
     11      -2.7479      1.00000
     12      -2.7368      1.00000
     13      -2.7049      1.00000
     14      -2.4081      1.00000
     15      -0.5471      1.00000
     16       0.9481      1.00000
     17       1.2360      1.00000
     18       1.7860      1.00000
     19       3.0050      1.00000
     20       3.7211      1.00000
     21       6.5957      0.00000
     22       6.8188      0.00000
     23       7.3228      0.00000
     24       8.1831      0.00000
     25       8.3758      0.00000
     26       9.4372      0.00000
     27       9.8153      0.00000
     28      10.3580      0.00000

 k-point    58 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4619      1.00000
      3      -5.2532      1.00000
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      9      -2.7712      1.00000
     10      -2.7631      1.00000
     11      -2.7386      1.00000
     12      -2.7289      1.00000
     13      -2.6753      1.00000
     14      -2.3625      1.00000
     15      -0.7442      1.00000
     16       0.3181      1.00000
     17       1.1762      1.00000
     18       1.5850      1.00000
     19       2.6727      1.00000
     20       3.2747      1.00000
     21       6.6429      0.00000
     22       6.8471      0.00000
     23       7.1132      0.00000
     24       8.1557      0.00000
     25       9.0527      0.00000
     26       9.8143      0.00000
     27      10.1947      0.00000
     28      10.6760      0.00000

 k-point    59 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4619      1.00000
      3      -5.0790      1.00000
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     10      -2.7533      1.00000
     11      -2.7388      1.00000
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     13      -2.5861      1.00000
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     15      -0.7883      1.00000
     16      -0.1572      1.00000
     17       1.0772      1.00000
     18       1.7109      1.00000
     19       2.4777      1.00000
     20       2.9423      1.00000
     21       6.6549      0.00000
     22       6.7808      0.00000
     23       7.1066      0.00000
     24       8.3277      0.00000
     25       8.8368      0.00000
     26      10.0255      0.00000
     27      10.9671      0.00000
     28      11.2380      0.00000

 k-point    60 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4619      1.00000
      3      -5.2672      1.00000
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     20       3.3119      1.00000
     21       6.8120      0.00000
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     25       8.9642      0.00000
     26       9.4482      0.00000
     27       9.9695      0.00000
     28      10.1879      0.00000

 k-point    61 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4619      1.00000
      3      -5.0607      1.00000
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     11      -2.7409      1.00000
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     18       1.6508      1.00000
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     20       2.8818      1.00000
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     22       7.3642      0.00000
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     25       9.2361      0.00000
     26       9.6469      0.00000
     27      10.4009      0.00000
     28      10.6863      0.00000

 k-point    62 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1     -42.4627      1.00000
      2     -42.4619      1.00000
      3      -4.9577      1.00000
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     11      -2.7472      1.00000
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     17       0.7232      1.00000
     18       1.8679      1.00000
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     20       2.6456      1.00000
     21       6.5802      0.00000
     22       7.5803      0.00000
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     24       8.7394      0.00000
     25       9.2715      0.00000
     26      10.1861      0.00000
     27      10.5954      0.00000
     28      11.1658      0.00000

 k-point    63 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4619      1.00000
      3      -4.8962      1.00000
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     11      -2.7481      1.00000
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     17       0.5571      1.00000
     18       1.6825      1.00000
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     20       2.4731      1.00000
     21       6.4828      0.00000
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     24       9.1671      0.00000
     25       9.3912      0.00000
     26      10.3428      0.00000
     27      10.4726      0.00000
     28      10.6859      0.00000

 k-point    64 :       0.0000    0.0000    0.2308
  band No.  band energies     occupation 
      1     -42.4627      1.00000
      2     -42.4619      1.00000
      3      -6.1333      1.00000
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     11      -2.7357      1.00000
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     14      -2.6423      1.00000
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     18       3.8387      1.00000
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     21       5.4900      0.00000
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     23       6.9655      0.00000
     24       6.9655      0.00000
     25       8.1196      0.00000
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     27       8.2464      0.00000
     28       9.7732      0.00000

 k-point    65 :       0.0769    0.0000    0.2308
  band No.  band energies     occupation 
      1     -42.4627      1.00000
      2     -42.4620      1.00000
      3      -6.0914      1.00000
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     10      -2.7375      1.00000
     11      -2.7367      1.00000
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     14      -2.6304      1.00000
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     16       3.2407      1.00000
     17       3.3313      1.00000
     18       3.6556      1.00000
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     20       4.5565      1.00000
     21       5.9018      0.00000
     22       6.6070      0.00000
     23       7.1382      0.00000
     24       7.2481      0.00000
     25       8.0341      0.00000
     26       8.1621      0.00000
     27       8.4654      0.00000
     28       9.8646      0.00000

 k-point    66 :       0.1538    0.0000    0.2308
  band No.  band energies     occupation 
      1     -42.4627      1.00000
      2     -42.4619      1.00000
      3      -5.9689      1.00000
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     18       3.2700      1.00000
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     20       4.3278      1.00000
     21       5.9837      0.00000
     22       6.7413      0.00000
     23       7.5130      0.00000
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     25       7.9733      0.00000
     26       8.6738      0.00000
     27       8.9741      0.00000
     28       9.6417      0.00000

 k-point    67 :       0.2308    0.0000    0.2308
  band No.  band energies     occupation 
      1     -42.4627      1.00000
      2     -42.4619      1.00000
      3      -5.7771      1.00000
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     10      -2.7572      1.00000
     11      -2.7399      1.00000
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     14      -2.5597      1.00000
     15      -0.1602      1.00000
     16       1.5780      1.00000
     17       1.8655      1.00000
     18       2.8659      1.00000
     19       3.9611      1.00000
     20       4.0192      1.00000
     21       5.7941      0.00000
     22       6.4635      0.00000
     23       7.2251      0.00000
     24       8.0003      0.00000
     25       8.6672      0.00000
     26       9.5393      0.00000
     27       9.5884      0.00000
     28       9.7548      0.00000

 k-point    68 :       0.3077    0.0000    0.2308
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4619      1.00000
      3      -5.5390      1.00000
      4      -4.9004      1.00000
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     10      -2.7651      1.00000
     11      -2.7382      1.00000
     12      -2.7317      1.00000
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     14      -2.5005      1.00000
     15      -0.4030      1.00000
     16       0.8856      1.00000
     17       1.3731      1.00000
     18       2.5241      1.00000
     19       3.7303      1.00000
     20       3.7306      1.00000
     21       5.6598      0.00000
     22       6.1069      0.00000
     23       6.9957      0.00000
     24       8.1289      0.00000
     25       8.9355      0.00000
     26       9.8206      0.00000
     27      10.2659      0.00000
     28      10.4960      0.00000

 k-point    69 :       0.3846    0.0000    0.2308
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4619      1.00000
      3      -5.2975      1.00000
      4      -4.7883      1.00000
      5      -2.8635      1.00000
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     10      -2.7621      1.00000
     11      -2.7340      1.00000
     12      -2.7121      1.00000
     13      -2.6954      1.00000
     14      -2.4370      1.00000
     15      -0.7647      1.00000
     16       0.1598      1.00000
     17       1.4033      1.00000
     18       2.2809      1.00000
     19       3.4201      1.00000
     20       3.5169      1.00000
     21       5.5926      0.00000
     22       5.8274      0.00000
     23       7.0208      0.00000
     24       8.0891      0.00000
     25       8.6231      0.00000
     26       9.5746      0.00000
     27      11.1038      0.00000
     28      11.4505      0.00000

 k-point    70 :       0.4615    0.0000    0.2308
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4619      1.00000
      3      -5.1275      1.00000
      4      -4.7426      1.00000
      5      -2.8621      1.00000
      6      -2.8496      1.00000
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     10      -2.7489      1.00000
     11      -2.7302      1.00000
     12      -2.7112      1.00000
     13      -2.6027      1.00000
     14      -2.4323      1.00000
     15      -0.9430      1.00000
     16      -0.3476      1.00000
     17       1.5430      1.00000
     18       2.1551      1.00000
     19       3.1679      1.00000
     20       3.4045      1.00000
     21       5.5687      0.00000
     22       5.6720      0.00000
     23       7.2230      0.00000
     24       8.0424      0.00000
     25       8.1719      0.00000
     26       9.5253      0.00000
     27      11.6240      0.00000
     28      12.0589      0.00000

 k-point    71 :       0.0769    0.0769    0.2308
  band No.  band energies     occupation 
      1     -42.4627      1.00000
      2     -42.4620      1.00000
      3      -6.0091      1.00000
      4      -5.2189      1.00000
      5      -2.9027      1.00000
      6      -2.8955      1.00000
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      8      -2.8691      1.00000
      9      -2.8457      1.00000
     10      -2.7413      1.00000
     11      -2.7396      1.00000
     12      -2.7325      1.00000
     13      -2.7162      1.00000
     14      -2.6105      1.00000
     15      -0.1473      1.00000
     16       2.6449      1.00000
     17       2.8558      1.00000
     18       3.3499      1.00000
     19       4.2389      1.00000
     20       4.3003      1.00000
     21       6.2549      0.00000
     22       6.5452      0.00000
     23       7.5442      0.00000
     24       7.5758      0.00000
     25       7.9907      0.00000
     26       8.0280      0.00000
     27       8.9960      0.00000
     28       9.6885      0.00000

 k-point    72 :       0.1538    0.0769    0.2308
  band No.  band energies     occupation 
      1     -42.4627      1.00000
      2     -42.4620      1.00000
      3      -5.8516      1.00000
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      5      -2.8932      1.00000
      6      -2.8836      1.00000
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     10      -2.7525      1.00000
     11      -2.7418      1.00000
     12      -2.7363      1.00000
     13      -2.7150      1.00000
     14      -2.5760      1.00000
     15      -0.1309      1.00000
     16       1.9056      1.00000
     17       2.1501      1.00000
     18       2.8796      1.00000
     19       3.9032      1.00000
     20       4.1331      1.00000
     21       6.1769      0.00000
     22       6.6609      0.00000
     23       7.5512      0.00000
     24       7.7775      0.00000
     25       8.1672      0.00000
     26       8.6122      0.00000
     27       9.5854      0.00000
     28       9.7742      0.00000

 k-point    73 :       0.2308    0.0769    0.2308
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4619      1.00000
      3      -5.6352      1.00000
      4      -4.9566      1.00000
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      6      -2.8701      1.00000
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     10      -2.7625      1.00000
     11      -2.7409      1.00000
     12      -2.7359      1.00000
     13      -2.7129      1.00000
     14      -2.5251      1.00000
     15      -0.2606      1.00000
     16       1.2447      1.00000
     17       1.5125      1.00000
     18       2.4535      1.00000
     19       3.5297      1.00000
     20       3.9660      1.00000
     21       5.9895      0.00000
     22       6.4829      0.00000
     23       7.2832      0.00000
     24       7.9518      0.00000
     25       8.6299      0.00000
     26       9.4644      0.00000
     27       9.7975      0.00000
     28      10.2883      0.00000

 k-point    74 :       0.3077    0.0769    0.2308
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4619      1.00000
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     10      -2.7668      1.00000
     11      -2.7364      1.00000
     12      -2.7256      1.00000
     13      -2.7053      1.00000
     14      -2.4581      1.00000
     15      -0.5900      1.00000
     16       0.5026      1.00000
     17       1.3777      1.00000
     18       2.1579      1.00000
     19       3.2238      1.00000
     20       3.6875      1.00000
     21       5.9142      0.00000
     22       6.2247      0.00000
     23       7.1449      0.00000
     24       7.8870      0.00000
     25       8.9250      0.00000
     26       9.6955      0.00000
     27      10.2098      0.00000
     28      10.8083      0.00000

 k-point    75 :       0.3846    0.0769    0.2308
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4619      1.00000
      3      -5.1757      1.00000
      4      -4.7522      1.00000
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      7      -2.8170      1.00000
      8      -2.8074      1.00000
      9      -2.7721      1.00000
     10      -2.7556      1.00000
     11      -2.7330      1.00000
     12      -2.7158      1.00000
     13      -2.6443      1.00000
     14      -2.4152      1.00000
     15      -0.8698      1.00000
     16      -0.1247      1.00000
     17       1.4582      1.00000
     18       2.0321      1.00000
     19       2.9969      1.00000
     20       3.3948      1.00000
     21       5.9030      0.00000
     22       6.0473      0.00000
     23       7.2086      0.00000
     24       7.8398      0.00000
     25       8.4589      0.00000
     26       9.7927      0.00000
     27      11.0470      0.00000
     28      11.4056      0.00000

 k-point    76 :       0.4615    0.0769    0.2308
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4619      1.00000
      3      -5.0809      1.00000
      4      -4.7368      1.00000
      5      -2.8588      1.00000
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      7      -2.8131      1.00000
      8      -2.8035      1.00000
      9      -2.7710      1.00000
     10      -2.7481      1.00000
     11      -2.7320      1.00000
     12      -2.7143      1.00000
     13      -2.5688      1.00000
     14      -2.4363      1.00000
     15      -0.9264      1.00000
     16      -0.4148      1.00000
     17       1.4992      1.00000
     18       2.0349      1.00000
     19       2.8892      1.00000
     20       3.2716      1.00000
     21       5.9039      0.00000
     22       5.9842      0.00000
     23       7.3043      0.00000
     24       7.9220      0.00000
     25       8.0876      0.00000
     26       9.8292      0.00000
     27      11.2266      0.00000
     28      12.3267      0.00000

 k-point    77 :       0.1538    0.1538    0.2308
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4620      1.00000
      3      -5.6685      1.00000
      4      -4.9774      1.00000
      5      -2.8758      1.00000
      6      -2.8738      1.00000
      7      -2.8520      1.00000
      8      -2.8414      1.00000
      9      -2.8231      1.00000
     10      -2.7609      1.00000
     11      -2.7431      1.00000
     12      -2.7363      1.00000
     13      -2.7126      1.00000
     14      -2.5329      1.00000
     15      -0.2110      1.00000
     16       1.4682      1.00000
     17       1.5801      1.00000
     18       2.3145      1.00000
     19       3.3508      1.00000
     20       4.0454      1.00000
     21       6.3768      0.00000
     22       6.7284      0.00000
     23       7.8056      0.00000
     24       7.8598      0.00000
     25       8.2788      0.00000
     26       8.3772      0.00000
     27       9.9829      0.00000
     28      10.1652      0.00000

 k-point    78 :       0.2308    0.1538    0.2308
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4619      1.00000
      3      -5.4419      1.00000
      4      -4.8503      1.00000
      5      -2.8649      1.00000
      6      -2.8528      1.00000
      7      -2.8342      1.00000
      8      -2.8253      1.00000
      9      -2.8014      1.00000
     10      -2.7670      1.00000
     11      -2.7395      1.00000
     12      -2.7342      1.00000
     13      -2.7042      1.00000
     14      -2.4699      1.00000
     15      -0.4515      1.00000
     16       0.7849      1.00000
     17       1.4625      1.00000
     18       1.8460      1.00000
     19       2.8717      1.00000
     20       3.8197      1.00000
     21       6.3274      0.00000
     22       6.8465      0.00000
     23       7.5210      0.00000
     24       8.0350      0.00000
     25       8.4645      0.00000
     26       9.1972      0.00000
     27       9.7652      0.00000
     28      10.3276      0.00000

 k-point    79 :       0.3077    0.1538    0.2308
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4619      1.00000
      3      -5.2119      1.00000
      4      -4.7616      1.00000
      5      -2.8594      1.00000
      6      -2.8424      1.00000
      7      -2.8173      1.00000
      8      -2.8094      1.00000
      9      -2.7740      1.00000
     10      -2.7665      1.00000
     11      -2.7353      1.00000
     12      -2.7272      1.00000
     13      -2.6645      1.00000
     14      -2.4064      1.00000
     15      -0.7362      1.00000
     16       0.1531      1.00000
     17       1.3437      1.00000
     18       1.7720      1.00000
     19       2.5407      1.00000
     20       3.4757      1.00000
     21       6.4041      0.00000
     22       6.7915      0.00000
     23       7.2718      0.00000
     24       7.9381      0.00000
     25       8.8124      0.00000
     26       9.6088      0.00000
     27      10.2497      0.00000
     28      10.7431      0.00000

 k-point    80 :       0.3846    0.1538    0.2308
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4619      1.00000
      3      -5.0466      1.00000
      4      -4.7349      1.00000
      5      -2.8573      1.00000
      6      -2.8395      1.00000
      7      -2.8094      1.00000
      8      -2.8023      1.00000
      9      -2.7686      1.00000
     10      -2.7528      1.00000
     11      -2.7370      1.00000
     12      -2.7227      1.00000
     13      -2.5736      1.00000
     14      -2.4041      1.00000
     15      -0.8514      1.00000
     16      -0.3059      1.00000
     17       1.2035      1.00000
     18       1.9695      1.00000
     19       2.3457      1.00000
     20       3.1794      1.00000
     21       6.5175      0.00000
     22       6.7263      0.00000
     23       7.1594      0.00000
     24       8.0163      0.00000
     25       8.3643      0.00000
     26      10.2722      0.00000
     27      10.6123      0.00000
     28      11.2254      0.00000

 k-point    81 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4619      1.00000
      3      -5.2253      1.00000
      4      -4.7655      1.00000
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      6      -2.8318      1.00000
      7      -2.8169      1.00000
      8      -2.8151      1.00000
      9      -2.7779      1.00000
     10      -2.7696      1.00000
     11      -2.7352      1.00000
     12      -2.7341      1.00000
     13      -2.6690      1.00000
     14      -2.4044      1.00000
     15      -0.6619      1.00000
     16       0.2954      1.00000
     17       1.2826      1.00000
     18       1.6499      1.00000
     19       2.3217      1.00000
     20       3.5167      1.00000
     21       6.5535      0.00000
     22       7.0279      0.00000
     23       7.6544      0.00000
     24       8.4412      0.00000
     25       8.6969      0.00000
     26       9.2472      0.00000
     27       9.5683      0.00000
     28      10.4458      0.00000

 k-point    82 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4619      1.00000
      3      -5.0295      1.00000
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      7      -2.8079      1.00000
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     10      -2.7613      1.00000
     11      -2.7383      1.00000
     12      -2.7318      1.00000
     13      -2.5856      1.00000
     14      -2.3755      1.00000
     15      -0.7652      1.00000
     16      -0.1466      1.00000
     17       0.9248      1.00000
     18       1.8270      1.00000
     19       2.0744      1.00000
     20       3.1454      1.00000
     21       6.7889      0.00000
     22       6.9318      0.00000
     23       7.6451      0.00000
     24       8.3935      0.00000
     25       9.1500      0.00000
     26       9.5194      0.00000
     27      10.1544      0.00000
     28      10.5991      0.00000

 k-point    83 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4619      1.00000
      3      -4.9342      1.00000
      4      -4.7455      1.00000
      5      -2.8588      1.00000
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     10      -2.7514      1.00000
     11      -2.7453      1.00000
     12      -2.7308      1.00000
     13      -2.5117      1.00000
     14      -2.4017      1.00000
     15      -0.7349      1.00000
     16      -0.3831      1.00000
     17       0.7997      1.00000
     18       1.7891      1.00000
     19       2.1806      1.00000
     20       2.9280      1.00000
     21       6.7890      0.00000
     22       7.0622      0.00000
     23       7.5458      0.00000
     24       8.2580      0.00000
     25       9.1388      0.00000
     26      10.1286      0.00000
     27      10.3479      0.00000
     28      11.1282      0.00000

 k-point    84 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4619      1.00000
      3      -4.8785      1.00000
      4      -4.7649      1.00000
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     10      -2.7547      1.00000
     11      -2.7467      1.00000
     12      -2.7358      1.00000
     13      -2.4891      1.00000
     14      -2.3994      1.00000
     15      -0.6521      1.00000
     16      -0.4030      1.00000
     17       0.6259      1.00000
     18       1.5687      1.00000
     19       2.3286      1.00000
     20       2.7710      1.00000
     21       6.7244      0.00000
     22       7.2288      0.00000
     23       7.6569      0.00000
     24       9.0782      0.00000
     25       9.3842      0.00000
     26       9.9642      0.00000
     27      10.4053      0.00000
     28      10.4866      0.00000

 k-point    85 :       0.0000    0.0000    0.3077
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4621      1.00000
      3      -6.0508      1.00000
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      9      -2.8485      1.00000
     10      -2.7328      1.00000
     11      -2.7328      1.00000
     12      -2.7189      1.00000
     13      -2.7189      1.00000
     14      -2.7079      1.00000
     15       0.2007      1.00000
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     17       3.9237      1.00000
     18       3.9238      1.00000
     19       4.5206      1.00000
     20       4.5206      1.00000
     21       5.6017      0.00000
     22       6.4919      0.00000
     23       7.0432      0.00000
     24       7.0432      0.00000
     25       7.9646      0.00000
     26       7.9646      0.00000
     27       8.5750      0.00000
     28       9.7674      0.00000

 k-point    86 :       0.0769    0.0000    0.3077
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4621      1.00000
      3      -6.0094      1.00000
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     10      -2.7370      1.00000
     11      -2.7337      1.00000
     12      -2.7325      1.00000
     13      -2.7186      1.00000
     14      -2.6870      1.00000
     15       0.2142      1.00000
     16       2.7657      1.00000
     17       3.3778      1.00000
     18       3.7478      1.00000
     19       4.1960      1.00000
     20       4.4269      1.00000
     21       5.9944      0.00000
     22       6.6397      0.00000
     23       7.2365      0.00000
     24       7.2386      0.00000
     25       7.9118      0.00000
     26       8.1942      0.00000
     27       8.4771      0.00000
     28       9.9496      0.00000

 k-point    87 :       0.1538    0.0000    0.3077
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4620      1.00000
      3      -5.8887      1.00000
      4      -5.2988      1.00000
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     10      -2.7543      1.00000
     11      -2.7355      1.00000
     12      -2.7336      1.00000
     13      -2.7181      1.00000
     14      -2.6571      1.00000
     15       0.2255      1.00000
     16       2.2878      1.00000
     17       2.5402      1.00000
     18       3.3720      1.00000
     19       3.7949      1.00000
     20       4.1634      1.00000
     21       6.0616      0.00000
     22       6.7412      0.00000
     23       7.5774      0.00000
     24       7.7253      0.00000
     25       8.2049      0.00000
     26       8.5585      0.00000
     27       8.7501      0.00000
     28       9.9204      0.00000

 k-point    88 :       0.2308    0.0000    0.3077
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4620      1.00000
      3      -5.7005      1.00000
      4      -5.1491      1.00000
      5      -2.8859      1.00000
      6      -2.8743      1.00000
      7      -2.8675      1.00000
      8      -2.8515      1.00000
      9      -2.8279      1.00000
     10      -2.7668      1.00000
     11      -2.7366      1.00000
     12      -2.7317      1.00000
     13      -2.7174      1.00000
     14      -2.6185      1.00000
     15       0.1147      1.00000
     16       1.5069      1.00000
     17       1.8934      1.00000
     18       2.9745      1.00000
     19       3.6545      1.00000
     20       3.8344      1.00000
     21       5.8372      0.00000
     22       6.4794      0.00000
     23       7.2746      0.00000
     24       8.2369      0.00000
     25       8.8365      0.00000
     26       9.4208      0.00000
     27       9.4382      0.00000
     28       9.8535      0.00000

 k-point    89 :       0.3077    0.0000    0.3077
  band No.  band energies     occupation 
      1     -42.4625      1.00000
      2     -42.4620      1.00000
      3      -5.4689      1.00000
      4      -4.9840      1.00000
      5      -2.8696      1.00000
      6      -2.8597      1.00000
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      8      -2.8330      1.00000
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     10      -2.7713      1.00000
     11      -2.7354      1.00000
     12      -2.7208      1.00000
     13      -2.7166      1.00000
     14      -2.5628      1.00000
     15      -0.2577      1.00000
     16       0.6971      1.00000
     17       1.6651      1.00000
     18       2.6369      1.00000
     19       3.5353      1.00000
     20       3.5752      1.00000
     21       5.6472      0.00000
     22       6.1686      0.00000
     23       6.8649      0.00000
     24       8.4662      0.00000
     25       8.7861      0.00000
     26       9.6964      0.00000
     27      10.1466      0.00000
     28      10.5136      0.00000

 k-point    90 :       0.3846    0.0000    0.3077
  band No.  band energies     occupation 
      1     -42.4625      1.00000
      2     -42.4620      1.00000
      3      -5.2376      1.00000
      4      -4.8496      1.00000
      5      -2.8631      1.00000
      6      -2.8491      1.00000
      7      -2.8355      1.00000
      8      -2.8181      1.00000
      9      -2.7753      1.00000
     10      -2.7631      1.00000
     11      -2.7320      1.00000
     12      -2.7155      1.00000
     13      -2.6781      1.00000
     14      -2.4911      1.00000
     15      -0.7127      1.00000
     16      -0.0197      1.00000
     17       1.7613      1.00000
     18       2.3964      1.00000
     19       3.3162      1.00000
     20       3.4362      1.00000
     21       5.5483      0.00000
     22       5.8813      0.00000
     23       6.7430      0.00000
     24       8.1382      0.00000
     25       8.4741      0.00000
     26       9.7708      0.00000
     27      10.7958      0.00000
     28      11.4209      0.00000

 k-point    91 :       0.4615    0.0000    0.3077
  band No.  band energies     occupation 
      1     -42.4625      1.00000
      2     -42.4620      1.00000
      3      -5.0785      1.00000
      4      -4.7844      1.00000
      5      -2.8621      1.00000
      6      -2.8439      1.00000
      7      -2.8297      1.00000
      8      -2.8099      1.00000
      9      -2.7683      1.00000
     10      -2.7486      1.00000
     11      -2.7288      1.00000
     12      -2.7146      1.00000
     13      -2.5877      1.00000
     14      -2.4564      1.00000
     15      -0.9653      1.00000
     16      -0.5034      1.00000
     17       1.9128      1.00000
     18       2.2718      1.00000
     19       3.2016      1.00000
     20       3.2854      1.00000
     21       5.5288      0.00000
     22       5.6925      0.00000
     23       6.8869      0.00000
     24       7.5904      0.00000
     25       8.4434      0.00000
     26       9.7916      0.00000
     27      11.0903      0.00000
     28      11.8571      0.00000

 k-point    92 :       0.0769    0.0769    0.3077
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4621      1.00000
      3      -5.9283      1.00000
      4      -5.3316      1.00000
      5      -2.9004      1.00000
      6      -2.8931      1.00000
      7      -2.8800      1.00000
      8      -2.8730      1.00000
      9      -2.8417      1.00000
     10      -2.7500      1.00000
     11      -2.7348      1.00000
     12      -2.7338      1.00000
     13      -2.7182      1.00000
     14      -2.6657      1.00000
     15       0.2277      1.00000
     16       2.4780      1.00000
     17       2.7697      1.00000
     18       3.4070      1.00000
     19       3.9479      1.00000
     20       4.1552      1.00000
     21       6.3294      0.00000
     22       6.6518      0.00000
     23       7.4994      0.00000
     24       7.6537      0.00000
     25       7.9441      0.00000
     26       8.2239      0.00000
     27       8.8263      0.00000
     28       9.8913      0.00000

 k-point    93 :       0.1538    0.0769    0.3077
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4620      1.00000
      3      -5.7735      1.00000
      4      -5.2058      1.00000
      5      -2.8908      1.00000
      6      -2.8811      1.00000
      7      -2.8702      1.00000
      8      -2.8586      1.00000
      9      -2.8333      1.00000
     10      -2.7633      1.00000
     11      -2.7358      1.00000
     12      -2.7339      1.00000
     13      -2.7173      1.00000
     14      -2.6333      1.00000
     15       0.1856      1.00000
     16       1.8423      1.00000
     17       2.1179      1.00000
     18       2.9543      1.00000
     19       3.7001      1.00000
     20       3.8445      1.00000
     21       6.2569      0.00000
     22       6.7532      0.00000
     23       7.5102      0.00000
     24       7.9469      0.00000
     25       8.2707      0.00000
     26       8.5578      0.00000
     27       9.6199      0.00000
     28       9.8296      0.00000

 k-point    94 :       0.2308    0.0769    0.3077
  band No.  band energies     occupation 
      1     -42.4625      1.00000
      2     -42.4620      1.00000
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     10      -2.7716      1.00000
     11      -2.7357      1.00000
     12      -2.7297      1.00000
     13      -2.7148      1.00000
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     15      -0.0606      1.00000
     16       1.0637      1.00000
     17       1.7372      1.00000
     18       2.5522      1.00000
     19       3.3427      1.00000
     20       3.7620      1.00000
     21       6.0050      0.00000
     22       6.5592      0.00000
     23       7.1912      0.00000
     24       8.2129      0.00000
     25       8.7517      0.00000
     26       9.2192      0.00000
     27       9.5943      0.00000
     28      10.3232      0.00000

 k-point    95 :       0.3077    0.0769    0.3077
  band No.  band energies     occupation 
      1     -42.4625      1.00000
      2     -42.4620      1.00000
      3      -5.3268      1.00000
      4      -4.8970      1.00000
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      7      -2.8379      1.00000
      8      -2.8239      1.00000
      9      -2.7886      1.00000
     10      -2.7712      1.00000
     11      -2.7335      1.00000
     12      -2.7216      1.00000
     13      -2.6974      1.00000
     14      -2.5187      1.00000
     15      -0.4987      1.00000
     16       0.3124      1.00000
     17       1.6986      1.00000
     18       2.2811      1.00000
     19       3.0442      1.00000
     20       3.6593      1.00000
     21       5.8361      0.00000
     22       6.2794      0.00000
     23       6.9544      0.00000
     24       8.1654      0.00000
     25       8.5602      0.00000
     26       9.7320      0.00000
     27      10.1663      0.00000
     28      10.7385      0.00000

 k-point    96 :       0.3846    0.0769    0.3077
  band No.  band energies     occupation 
      1     -42.4625      1.00000
      2     -42.4620      1.00000
      3      -5.1232      1.00000
      4      -4.7999      1.00000
      5      -2.8583      1.00000
      6      -2.8463      1.00000
      7      -2.8279      1.00000
      8      -2.8127      1.00000
      9      -2.7705      1.00000
     10      -2.7563      1.00000
     11      -2.7311      1.00000
     12      -2.7185      1.00000
     13      -2.6266      1.00000
     14      -2.4550      1.00000
     15      -0.8607      1.00000
     16      -0.2938      1.00000
     17       1.7525      1.00000
     18       2.2152      1.00000
     19       2.8388      1.00000
     20       3.4894      1.00000
     21       5.7804      0.00000
     22       6.0715      0.00000
     23       6.9607      0.00000
     24       7.8115      0.00000
     25       8.2396      0.00000
     26      10.0787      0.00000
     27      10.6334      0.00000
     28      11.3526      0.00000

 k-point    97 :       0.4615    0.0769    0.3077
  band No.  band energies     occupation 
      1     -42.4625      1.00000
      2     -42.4620      1.00000
      3      -5.0356      1.00000
      4      -4.7726      1.00000
      5      -2.8580      1.00000
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      7      -2.8259      1.00000
      8      -2.8088      1.00000
      9      -2.7672      1.00000
     10      -2.7480      1.00000
     11      -2.7306      1.00000
     12      -2.7177      1.00000
     13      -2.5555      1.00000
     14      -2.4509      1.00000
     15      -0.9667      1.00000
     16      -0.5656      1.00000
     17       1.7547      1.00000
     18       2.2660      1.00000
     19       2.7523      1.00000
     20       3.3918      1.00000
     21       5.7786      0.00000
     22       5.9936      0.00000
     23       7.1000      0.00000
     24       7.4851      0.00000
     25       8.1826      0.00000
     26      10.1503      0.00000
     27      10.6840      0.00000
     28      12.1382      0.00000

 k-point    98 :       0.1538    0.1538    0.3077
  band No.  band energies     occupation 
      1     -42.4625      1.00000
      2     -42.4620      1.00000
      3      -5.5946      1.00000
      4      -5.0707      1.00000
      5      -2.8737      1.00000
      6      -2.8709      1.00000
      7      -2.8543      1.00000
      8      -2.8453      1.00000
      9      -2.8227      1.00000
     10      -2.7717      1.00000
     11      -2.7342      1.00000
     12      -2.7338      1.00000
     13      -2.7140      1.00000
     14      -2.5937      1.00000
     15       0.0143      1.00000
     16       1.2434      1.00000
     17       1.8321      1.00000
     18       2.3830      1.00000
     19       3.1923      1.00000
     20       3.8111      1.00000
     21       6.4420      0.00000
     22       6.8076      0.00000
     23       7.8868      0.00000
     24       7.9751      0.00000
     25       8.1658      0.00000
     26       8.3709      0.00000
     27       9.6877      0.00000
     28      10.2382      0.00000

 k-point    99 :       0.2308    0.1538    0.3077
  band No.  band energies     occupation 
      1     -42.4625      1.00000
      2     -42.4620      1.00000
      3      -5.3755      1.00000
      4      -4.9256      1.00000
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     10      -2.7760      1.00000
     11      -2.7332      1.00000
     12      -2.7296      1.00000
     13      -2.6993      1.00000
     14      -2.5323      1.00000
     15      -0.3290      1.00000
     16       0.5833      1.00000
     17       1.7429      1.00000
     18       1.9648      1.00000
     19       2.7227      1.00000
     20       3.7701      1.00000
     21       6.2089      0.00000
     22       6.9255      0.00000
     23       7.6551      0.00000
     24       7.9968      0.00000
     25       8.5287      0.00000
     26       8.8688      0.00000
     27       9.4013      0.00000
     28      10.3924      0.00000

 k-point   100 :       0.3077    0.1538    0.3077
  band No.  band energies     occupation 
      1     -42.4625      1.00000
      2     -42.4620      1.00000
      3      -5.1571      1.00000
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     10      -2.7703      1.00000
     11      -2.7327      1.00000
     12      -2.7264      1.00000
     13      -2.6473      1.00000
     14      -2.4571      1.00000
     15      -0.6979      1.00000
     16      -0.0306      1.00000
     17       1.4968      1.00000
     18       2.0377      1.00000
     19       2.4203      1.00000
     20       3.6058      1.00000
     21       6.1202      0.00000
     22       6.8501      0.00000
     23       7.4385      0.00000
     24       7.7592      0.00000
     25       8.4147      0.00000
     26       9.6398      0.00000
     27      10.0148      0.00000
     28      10.5761      0.00000

 k-point   101 :       0.3846    0.1538    0.3077
  band No.  band energies     occupation 
      1     -42.4625      1.00000
      2     -42.4620      1.00000
      3      -5.0045      1.00000
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     10      -2.7540      1.00000
     11      -2.7352      1.00000
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     14      -2.4243      1.00000
     15      -0.8873      1.00000
     16      -0.4654      1.00000
     17       1.3382      1.00000
     18       2.1462      1.00000
     19       2.3503      1.00000
     20       3.4011      1.00000
     21       6.1662      0.00000
     22       6.7738      0.00000
     23       7.3620      0.00000
     24       7.5651      0.00000
     25       8.1291      0.00000
     26      10.0671      0.00000
     27      10.5829      0.00000
     28      11.3025      0.00000

 k-point   102 :       0.2308    0.2308    0.3077
  band No.  band energies     occupation 
      1     -42.4625      1.00000
      2     -42.4620      1.00000
      3      -5.1696      1.00000
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     10      -2.7776      1.00000
     11      -2.7319      1.00000
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     13      -2.6527      1.00000
     14      -2.4586      1.00000
     15      -0.6103      1.00000
     16       0.1049      1.00000
     17       1.3670      1.00000
     18       1.9062      1.00000
     19       2.2794      1.00000
     20       3.6462      1.00000
     21       6.2347      0.00000
     22       7.2420      0.00000
     23       7.6643      0.00000
     24       8.4168      0.00000
     25       8.4407      0.00000
     26       9.0290      0.00000
     27       9.3244      0.00000
     28      10.0758      0.00000

 k-point   103 :       0.3077    0.2308    0.3077
  band No.  band energies     occupation 
      1     -42.4625      1.00000
      2     -42.4620      1.00000
      3      -4.9890      1.00000
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     10      -2.7645      1.00000
     11      -2.7365      1.00000
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     14      -2.4036      1.00000
     15      -0.7898      1.00000
     16      -0.3185      1.00000
     17       1.0201      1.00000
     18       1.7369      1.00000
     19       2.3880      1.00000
     20       3.3972      1.00000
     21       6.3724      0.00000
     22       7.1751      0.00000
     23       7.3921      0.00000
     24       8.1859      0.00000
     25       8.9565      0.00000
     26       9.4803      0.00000
     27       9.8074      0.00000
     28      10.3558      0.00000

 k-point   104 :       0.3846    0.2308    0.3077
  band No.  band energies     occupation 
      1     -42.4625      1.00000
      2     -42.4620      1.00000
      3      -4.9044      1.00000
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     10      -2.7534      1.00000
     11      -2.7435      1.00000
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     15      -0.8088      1.00000
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     17       0.9004      1.00000
     18       1.6396      1.00000
     19       2.5512      1.00000
     20       3.2227      1.00000
     21       6.4989      0.00000
     22       7.1650      0.00000
     23       7.1713      0.00000
     24       8.1027      0.00000
     25       8.9529      0.00000
     26       9.6144      0.00000
     27      10.5177      0.00000
     28      11.1455      0.00000

 k-point   105 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1     -42.4625      1.00000
      2     -42.4620      1.00000
      3      -4.8568      1.00000
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     10      -2.7557      1.00000
     11      -2.7459      1.00000
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     14      -2.4003      1.00000
     15      -0.7432      1.00000
     16      -0.5510      1.00000
     17       0.7203      1.00000
     18       1.4287      1.00000
     19       2.6947      1.00000
     20       3.0958      1.00000
     21       6.6882      0.00000
     22       7.0222      0.00000
     23       7.1229      0.00000
     24       9.1236      0.00000
     25       9.2320      0.00000
     26       9.6528      0.00000
     27      10.2679      0.00000
     28      10.3092      0.00000

 k-point   106 :       0.0000    0.0000    0.3846
  band No.  band energies     occupation 
      1     -42.4626      1.00000
      2     -42.4622      1.00000
      3      -5.9487      1.00000
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     10      -2.7596      1.00000
     11      -2.7296      1.00000
     12      -2.7296      1.00000
     13      -2.7209      1.00000
     14      -2.7209      1.00000
     15       0.6615      1.00000
     16       2.2821      1.00000
     17       4.0276      1.00000
     18       4.0276      1.00000
     19       4.3999      1.00000
     20       4.4000      1.00000
     21       5.7439      0.00000
     22       6.3094      0.00000
     23       7.1556      0.00000
     24       7.1556      0.00000
     25       7.7110      0.00000
     26       7.7110      0.00000
     27       9.0984      0.00000
     28       9.7491      0.00000

 k-point   107 :       0.0769    0.0000    0.3846
  band No.  band energies     occupation 
      1     -42.4625      1.00000
      2     -42.4622      1.00000
      3      -5.9080      1.00000
      4      -5.5295      1.00000
      5      -2.9005      1.00000
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     10      -2.7654      1.00000
     11      -2.7303      1.00000
     12      -2.7294      1.00000
     13      -2.7209      1.00000
     14      -2.7119      1.00000
     15       0.6644      1.00000
     16       2.2196      1.00000
     17       3.5053      1.00000
     18       3.8614      1.00000
     19       4.0083      1.00000
     20       4.2830      1.00000
     21       6.1139      0.00000
     22       6.5577      0.00000
     23       7.2730      0.00000
     24       7.3669      0.00000
     25       7.7137      0.00000
     26       7.9453      0.00000
     27       8.9920      0.00000
     28       9.9595      0.00000

 k-point   108 :       0.1538    0.0000    0.3846
  band No.  band energies     occupation 
      1     -42.4625      1.00000
      2     -42.4622      1.00000
      3      -5.7898      1.00000
      4      -5.4229      1.00000
      5      -2.8954      1.00000
      6      -2.8861      1.00000
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      8      -2.8733      1.00000
      9      -2.8321      1.00000
     10      -2.7753      1.00000
     11      -2.7318      1.00000
     12      -2.7278      1.00000
     13      -2.7209      1.00000
     14      -2.6915      1.00000
     15       0.6306      1.00000
     16       1.9143      1.00000
     17       2.6933      1.00000
     18       3.4673      1.00000
     19       3.4990      1.00000
     20       3.9875      1.00000
     21       6.1704      0.00000
     22       6.6227      0.00000
     23       7.7451      0.00000
     24       7.8960      0.00000
     25       8.2663      0.00000
     26       8.5202      0.00000
     27       8.6938      0.00000
     28       9.9835      0.00000

 k-point   109 :       0.2308    0.0000    0.3846
  band No.  band energies     occupation 
      1     -42.4624      1.00000
      2     -42.4621      1.00000
      3      -5.6065      1.00000
      4      -5.2630      1.00000
      5      -2.8828      1.00000
      6      -2.8713      1.00000
      7      -2.8705      1.00000
      8      -2.8562      1.00000
      9      -2.8228      1.00000
     10      -2.7819      1.00000
     11      -2.7328      1.00000
     12      -2.7221      1.00000
     13      -2.7209      1.00000
     14      -2.6618      1.00000
     15       0.4060      1.00000
     16       1.2596      1.00000
     17       2.1464      1.00000
     18       3.1103      1.00000
     19       3.2683      1.00000
     20       3.6397      1.00000
     21       5.9360      0.00000
     22       6.3795      0.00000
     23       7.5517      0.00000
     24       8.4904      0.00000
     25       8.8096      0.00000
     26       9.2287      0.00000
     27       9.2729      0.00000
     28       9.6987      0.00000

 k-point   110 :       0.3077    0.0000    0.3846
  band No.  band energies     occupation 
      1     -42.4625      1.00000
      2     -42.4621      1.00000
      3      -5.3837      1.00000
      4      -5.0808      1.00000
      5      -2.8675      1.00000
      6      -2.8561      1.00000
      7      -2.8549      1.00000
      8      -2.8382      1.00000
      9      -2.8016      1.00000
     10      -2.7797      1.00000
     11      -2.7320      1.00000
     12      -2.7203      1.00000
     13      -2.7052      1.00000
     14      -2.6150      1.00000
     15      -0.0935      1.00000
     16       0.4886      1.00000
     17       2.0330      1.00000
     18       2.7780      1.00000
     19       3.2666      1.00000
     20       3.3307      1.00000
     21       5.7215      0.00000
     22       6.1454      0.00000
     23       6.9683      0.00000
     24       8.2955      0.00000
     25       8.8397      0.00000
     26       9.9116      0.00000
     27       9.9140      0.00000
     28      10.4838      0.00000

 k-point   111 :       0.3846    0.0000    0.3846
  band No.  band energies     occupation 
      1     -42.4624      1.00000
      2     -42.4621      1.00000
      3      -5.1659      1.00000
      4      -4.9228      1.00000
      5      -2.8616      1.00000
      6      -2.8449      1.00000
      7      -2.8432      1.00000
      8      -2.8237      1.00000
      9      -2.7736      1.00000
     10      -2.7653      1.00000
     11      -2.7294      1.00000
     12      -2.7192      1.00000
     13      -2.6552      1.00000
     14      -2.5430      1.00000
     15      -0.6275      1.00000
     16      -0.1993      1.00000
     17       2.1620      1.00000
     18       2.5407      1.00000
     19       3.1064      1.00000
     20       3.2788      1.00000
     21       5.5922      0.00000
     22       5.9592      0.00000
     23       6.5987      0.00000
     24       7.6001      0.00000
     25       8.9154      0.00000
     26      10.1093      0.00000
     27      10.3679      0.00000
     28      11.2200      0.00000

 k-point   112 :       0.4615    0.0000    0.3846
  band No.  band energies     occupation 
      1     -42.4624      1.00000
      2     -42.4621      1.00000
      3      -5.0208      1.00000
      4      -4.8363      1.00000
      5      -2.8608      1.00000
      6      -2.8416      1.00000
      7      -2.8373      1.00000
      8      -2.8159      1.00000
      9      -2.7634      1.00000
     10      -2.7504      1.00000
     11      -2.7269      1.00000
     12      -2.7182      1.00000
     13      -2.5681      1.00000
     14      -2.4854      1.00000
     15      -0.9460      1.00000
     16      -0.6536      1.00000
     17       2.3105      1.00000
     18       2.4177      1.00000
     19       2.9895      1.00000
     20       3.2528      1.00000
     21       5.5533      0.00000
     22       5.7999      0.00000
     23       6.6002      0.00000
     24       7.0544      0.00000
     25       8.9078      0.00000
     26      10.1484      0.00000
     27      10.5264      0.00000
     28      11.4471      0.00000

 k-point   113 :       0.0769    0.0769    0.3846
  band No.  band energies     occupation 
      1     -42.4625      1.00000
      2     -42.4622      1.00000
      3      -5.8285      1.00000
      4      -5.4576      1.00000
      5      -2.8972      1.00000
      6      -2.8902      1.00000
      7      -2.8842      1.00000
      8      -2.8773      1.00000
      9      -2.8337      1.00000
     10      -2.7728      1.00000
     11      -2.7310      1.00000
     12      -2.7291      1.00000
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 k-point   114 :       0.1538    0.0769    0.3846
  band No.  band energies     occupation 
      1     -42.4625      1.00000
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     21       6.3742      0.00000
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     23       7.5813      0.00000
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     25       8.2653      0.00000
     26       8.7222      0.00000
     27       9.4806      0.00000
     28       9.6551      0.00000

 k-point   115 :       0.2308    0.0769    0.3846
  band No.  band energies     occupation 
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     21       6.1145      0.00000
     22       6.5556      0.00000
     23       7.2950      0.00000
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     25       8.5868      0.00000
     26       9.1026      0.00000
     27       9.4219      0.00000
     28      10.1636      0.00000

 k-point   116 :       0.3077    0.0769    0.3846
  band No.  band energies     occupation 
      1     -42.4624      1.00000
      2     -42.4621      1.00000
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     20       3.4538      1.00000
     21       5.8922      0.00000
     22       6.3341      0.00000
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     24       7.9336      0.00000
     25       8.6530      0.00000
     26       9.8084      0.00000
     27      10.0268      0.00000
     28      10.5654      0.00000

 k-point   117 :       0.3846    0.0769    0.3846
  band No.  band energies     occupation 
      1     -42.4624      1.00000
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     13      -2.6031      1.00000
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     17       2.0089      1.00000
     18       2.4737      1.00000
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     20       3.4409      1.00000
     21       5.7580      0.00000
     22       6.1578      0.00000
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     24       7.3334      0.00000
     25       8.6102      0.00000
     26      10.0944      0.00000
     27      10.4491      0.00000
     28      11.2857      0.00000

 k-point   118 :       0.4615    0.0769    0.3846
  band No.  band energies     occupation 
      1     -42.4624      1.00000
      2     -42.4621      1.00000
      3      -4.9828      1.00000
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     17       1.9729      1.00000
     18       2.5660      1.00000
     19       2.5882      1.00000
     20       3.4131      1.00000
     21       5.7180      0.00000
     22       6.0870      0.00000
     23       6.8559      0.00000
     24       6.9496      0.00000
     25       8.5863      0.00000
     26      10.1243      0.00000
     27      10.5365      0.00000
     28      11.7971      0.00000

 k-point   119 :       0.1538    0.1538    0.3846
  band No.  band energies     occupation 
      1     -42.4625      1.00000
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     15       0.2539      1.00000
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     25       8.1404      0.00000
     26       8.6464      0.00000
     27       9.2414      0.00000
     28      10.0195      0.00000

 k-point   120 :       0.2308    0.1538    0.3846
  band No.  band energies     occupation 
      1     -42.4624      1.00000
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     25       8.4270      0.00000
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     27       9.1801      0.00000
     28       9.9708      0.00000

 k-point   121 :       0.3077    0.1538    0.3846
  band No.  band energies     occupation 
      1     -42.4624      1.00000
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     25       8.3149      0.00000
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     27       9.8656      0.00000
     28      10.3323      0.00000

 k-point   122 :       0.3846    0.1538    0.3846
  band No.  band energies     occupation 
      1     -42.4624      1.00000
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     25       8.2091      0.00000
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     27      10.8388      0.00000
     28      11.3180      0.00000

 k-point   123 :       0.2308    0.2308    0.3846
  band No.  band energies     occupation 
      1     -42.4624      1.00000
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     27       9.1709      0.00000
     28       9.5951      0.00000

 k-point   124 :       0.3077    0.2308    0.3846
  band No.  band energies     occupation 
      1     -42.4624      1.00000
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     17       1.1389      1.00000
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     27       9.7516      0.00000
     28      10.1594      0.00000

 k-point   125 :       0.3846    0.2308    0.3846
  band No.  band energies     occupation 
      1     -42.4624      1.00000
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     17       1.0227      1.00000
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     21       6.1538      0.00000
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     25       8.7691      0.00000
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     27      10.6930      0.00000
     28      11.1386      0.00000

 k-point   126 :       0.3077    0.3077    0.3846
  band No.  band energies     occupation 
      1     -42.4624      1.00000
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     11      -2.7454      1.00000
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     17       0.8372      1.00000
     18       1.2758      1.00000
     19       3.0642      1.00000
     20       3.3709      1.00000
     21       6.2716      0.00000
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     23       7.4270      0.00000
     24       8.8034      0.00000
     25       9.2297      0.00000
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     27      10.0987      0.00000
     28      10.2015      0.00000

 k-point   127 :       0.0000    0.0000    0.4615
  band No.  band energies     occupation 
      1     -42.4625      1.00000
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      3      -5.8305      1.00000
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     10      -2.7971      1.00000
     11      -2.7264      1.00000
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     14      -2.7235      1.00000
     15       1.1679      1.00000
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     17       4.1457      1.00000
     18       4.1457      1.00000
     19       4.2722      1.00000
     20       4.2722      1.00000
     21       5.9141      0.00000
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     25       7.4903      0.00000
     26       7.4903      0.00000
     27       9.5147      0.00000
     28       9.6939      0.00000

 k-point   128 :       0.0769    0.0000    0.4615
  band No.  band energies     occupation 
      1     -42.4624      1.00000
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      3      -5.7908      1.00000
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     11      -2.7269      1.00000
     12      -2.7251      1.00000
     13      -2.7237      1.00000
     14      -2.7199      1.00000
     15       1.1562      1.00000
     16       1.6783      1.00000
     17       3.6565      1.00000
     18       3.8262      1.00000
     19       3.9923      1.00000
     20       4.1352      1.00000
     21       6.2569      0.00000
     22       6.4130      0.00000
     23       7.3794      0.00000
     24       7.5293      0.00000
     25       7.5320      0.00000
     26       7.7227      0.00000
     27       9.5066      0.00000
     28       9.8537      0.00000

 k-point   129 :       0.1538    0.0000    0.4615
  band No.  band energies     occupation 
      1     -42.4624      1.00000
      2     -42.4623      1.00000
      3      -5.6756      1.00000
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     10      -2.7995      1.00000
     11      -2.7280      1.00000
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     13      -2.7201      1.00000
     14      -2.7094      1.00000
     15       1.0595      1.00000
     16       1.4937      1.00000
     17       2.9079      1.00000
     18       3.1675      1.00000
     19       3.6475      1.00000
     20       3.8125      1.00000
     21       6.3071      0.00000
     22       6.4636      0.00000
     23       7.9357      0.00000
     24       8.0876      0.00000
     25       8.1172      0.00000
     26       8.2970      0.00000
     27       9.1107      0.00000
     28       9.5905      0.00000

 k-point   130 :       0.2308    0.0000    0.4615
  band No.  band energies     occupation 
      1     -42.4624      1.00000
      2     -42.4623      1.00000
      3      -5.4987      1.00000
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     10      -2.7988      1.00000
     11      -2.7287      1.00000
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     13      -2.7090      1.00000
     14      -2.6903      1.00000
     15       0.6985      1.00000
     16       0.9845      1.00000
     17       2.4789      1.00000
     18       2.8623      1.00000
     19       3.2698      1.00000
     20       3.4485      1.00000
     21       6.0712      0.00000
     22       6.2263      0.00000
     23       7.9663      0.00000
     24       8.4288      0.00000
     25       8.7470      0.00000
     26       8.9970      0.00000
     27       9.3482      0.00000
     28       9.5053      0.00000

 k-point   131 :       0.3077    0.0000    0.4615
  band No.  band energies     occupation 
      1     -42.4623      1.00000
      2     -42.4622      1.00000
      3      -5.2870      1.00000
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     10      -2.7885      1.00000
     11      -2.7282      1.00000
     12      -2.7243      1.00000
     13      -2.6840      1.00000
     14      -2.6548      1.00000
     15       0.0871      1.00000
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     18       2.8692      1.00000
     19       2.9441      1.00000
     20       3.1305      1.00000
     21       5.8559      0.00000
     22       6.0122      0.00000
     23       7.3073      0.00000
     24       7.7723      0.00000
     25       9.2234      0.00000
     26       9.5909      0.00000
     27      10.1647      0.00000
     28      10.3627      0.00000

 k-point   132 :       0.3846    0.0000    0.4615
  band No.  band energies     occupation 
      1     -42.4623      1.00000
      2     -42.4622      1.00000
      3      -5.0863      1.00000
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     10      -2.7682      1.00000
     11      -2.7263      1.00000
     12      -2.7229      1.00000
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     14      -2.5884      1.00000
     15      -0.5106      1.00000
     16      -0.3659      1.00000
     17       2.5771      1.00000
     18       2.7106      1.00000
     19       2.9014      1.00000
     20       2.9687      1.00000
     21       5.7330      0.00000
     22       5.8938      0.00000
     23       6.7388      0.00000
     24       7.1113      0.00000
     25       9.3928      0.00000
     26       9.8859      0.00000
     27      10.4954      0.00000
     28      10.8843      0.00000

 k-point   133 :       0.4615    0.0000    0.4615
  band No.  band energies     occupation 
      1     -42.4623      1.00000
      2     -42.4622      1.00000
      3      -4.9584      1.00000
      4      -4.8955      1.00000
      5      -2.8573      1.00000
      6      -2.8509      1.00000
      7      -2.8301      1.00000
      8      -2.8228      1.00000
      9      -2.7584      1.00000
     10      -2.7538      1.00000
     11      -2.7244      1.00000
     12      -2.7215      1.00000
     13      -2.5438      1.00000
     14      -2.5155      1.00000
     15      -0.8839      1.00000
     16      -0.7839      1.00000
     17       2.5894      1.00000
     18       2.7021      1.00000
     19       2.7822      1.00000
     20       3.0393      1.00000
     21       5.7150      0.00000
     22       5.8497      0.00000
     23       6.4612      0.00000
     24       6.6356      0.00000
     25       9.4190      0.00000
     26       9.9632      0.00000
     27      10.5588      0.00000
     28      10.9995      0.00000

 k-point   134 :       0.0769    0.0769    0.4615
  band No.  band energies     occupation 
      1     -42.4624      1.00000
      2     -42.4623      1.00000
      3      -5.7133      1.00000
      4      -5.5875      1.00000
      5      -2.8935      1.00000
      6      -2.8895      1.00000
      7      -2.8856      1.00000
      8      -2.8817      1.00000
      9      -2.8200      1.00000
     10      -2.7992      1.00000
     11      -2.7276      1.00000
     12      -2.7246      1.00000
     13      -2.7215      1.00000
     14      -2.7129      1.00000
     15       1.1042      1.00000
     16       1.5725      1.00000
     17       3.1225      1.00000
     18       3.3389      1.00000
     19       3.7057      1.00000
     20       3.8416      1.00000
     21       6.5442      0.00000
     22       6.6483      0.00000
     23       7.4145      0.00000
     24       7.4968      0.00000
     25       8.1589      0.00000
     26       8.3348      0.00000
     27       9.2653      0.00000
     28       9.7488      0.00000

 k-point   135 :       0.1538    0.0769    0.4615
  band No.  band energies     occupation 
      1     -42.4624      1.00000
      2     -42.4623      1.00000
      3      -5.5669      1.00000
      4      -5.4470      1.00000
      5      -2.8840      1.00000
      6      -2.8803      1.00000
      7      -2.8715      1.00000
      8      -2.8675      1.00000
      9      -2.8166      1.00000
     10      -2.8003      1.00000
     11      -2.7285      1.00000
     12      -2.7252      1.00000
     13      -2.7133      1.00000
     14      -2.6980      1.00000
     15       0.8789      1.00000
     16       1.2217      1.00000
     17       2.6197      1.00000
     18       2.9291      1.00000
     19       3.2943      1.00000
     20       3.4303      1.00000
     21       6.5108      0.00000
     22       6.6492      0.00000
     23       7.7501      0.00000
     24       7.9378      0.00000
     25       8.5631      0.00000
     26       8.8188      0.00000
     27       9.2912      0.00000
     28       9.3895      0.00000

 k-point   136 :       0.2308    0.0769    0.4615
  band No.  band energies     occupation 
      1     -42.4623      1.00000
      2     -42.4622      1.00000
      3      -5.3713      1.00000
      4      -5.2622      1.00000
      5      -2.8679      1.00000
      6      -2.8653      1.00000
      7      -2.8550      1.00000
      8      -2.8505      1.00000
      9      -2.8072      1.00000
     10      -2.7965      1.00000
     11      -2.7286      1.00000
     12      -2.7253      1.00000
     13      -2.6952      1.00000
     14      -2.6707      1.00000
     15       0.3754      1.00000
     16       0.6040      1.00000
     17       2.4221      1.00000
     18       2.7165      1.00000
     19       2.9794      1.00000
     20       3.1380      1.00000
     21       6.2686      0.00000
     22       6.4301      0.00000
     23       7.6274      0.00000
     24       8.0733      0.00000
     25       8.7615      0.00000
     26       8.9768      0.00000
     27       9.5674      0.00000
     28       9.8663      0.00000

 k-point   137 :       0.3077    0.0769    0.4615
  band No.  band energies     occupation 
      1     -42.4623      1.00000
      2     -42.4622      1.00000
      3      -5.1621      1.00000
      4      -5.0706      1.00000
      5      -2.8563      1.00000
      6      -2.8525      1.00000
      7      -2.8407      1.00000
      8      -2.8353      1.00000
      9      -2.7850      1.00000
     10      -2.7812      1.00000
     11      -2.7276      1.00000
     12      -2.7247      1.00000
     13      -2.6531      1.00000
     14      -2.6181      1.00000
     15      -0.2353      1.00000
     16      -0.0679      1.00000
     17       2.3453      1.00000
     18       2.5456      1.00000
     19       2.8204      1.00000
     20       3.1287      1.00000
     21       6.0541      0.00000
     22       6.2342      0.00000
     23       7.0686      0.00000
     24       7.4555      0.00000
     25       9.0639      0.00000
     26       9.4866      0.00000
     27      10.1646      0.00000
     28      10.3603      0.00000

 k-point   138 :       0.3846    0.0769    0.4615
  band No.  band energies     occupation 
      1     -42.4623      1.00000
      2     -42.4622      1.00000
      3      -4.9933      1.00000
      4      -4.9241      1.00000
      5      -2.8533      1.00000
      6      -2.8476      1.00000
      7      -2.8323      1.00000
      8      -2.8254      1.00000
      9      -2.7648      1.00000
     10      -2.7615      1.00000
     11      -2.7267      1.00000
     12      -2.7241      1.00000
     13      -2.5736      1.00000
     14      -2.5380      1.00000
     15      -0.7266      1.00000
     16      -0.6063      1.00000
     17       2.2235      1.00000
     18       2.4198      1.00000
     19       2.8802      1.00000
     20       3.2117      1.00000
     21       5.9133      0.00000
     22       6.1179      0.00000
     23       6.6893      0.00000
     24       6.9260      0.00000
     25       9.0729      0.00000
     26       9.5767      0.00000
     27      10.7941      0.00000
     28      11.0958      0.00000

 k-point   139 :       0.4615    0.0769    0.4615
  band No.  band energies     occupation 
      1     -42.4623      1.00000
      2     -42.4622      1.00000
      3      -4.9263      1.00000
      4      -4.8700      1.00000
      5      -2.8530      1.00000
      6      -2.8467      1.00000
      7      -2.8296      1.00000
      8      -2.8221      1.00000
      9      -2.7580      1.00000
     10      -2.7535      1.00000
     11      -2.7266      1.00000
     12      -2.7240      1.00000
     13      -2.5174      1.00000
     14      -2.4941      1.00000
     15      -0.9177      1.00000
     16      -0.8298      1.00000
     17       2.1718      1.00000
     18       2.3689      1.00000
     19       2.9422      1.00000
     20       3.2476      1.00000
     21       5.8636      0.00000
     22       6.0812      0.00000
     23       6.6192      0.00000
     24       6.6586      0.00000
     25       9.0595      0.00000
     26       9.5774      0.00000
     27      10.9574      0.00000
     28      11.3878      0.00000

 k-point   140 :       0.1538    0.1538    0.4615
  band No.  band energies     occupation 
      1     -42.4624      1.00000
      2     -42.4622      1.00000
      3      -5.4009      1.00000
      4      -5.2899      1.00000
      5      -2.8687      1.00000
      6      -2.8672      1.00000
      7      -2.8559      1.00000
      8      -2.8531      1.00000
      9      -2.8119      1.00000
     10      -2.8000      1.00000
     11      -2.7285      1.00000
     12      -2.7260      1.00000
     13      -2.6976      1.00000
     14      -2.6749      1.00000
     15       0.4997      1.00000
     16       0.7487      1.00000
     17       2.4701      1.00000
     18       2.5741      1.00000
     19       2.9200      1.00000
     20       3.0770      1.00000
     21       6.8480      0.00000
     22       6.9294      0.00000
     23       7.7789      0.00000
     24       7.7989      0.00000
     25       8.3352      0.00000
     26       8.6166      0.00000
     27       9.2411      0.00000
     28       9.6233      0.00000

 k-point   141 :       0.2308    0.1538    0.4615
  band No.  band energies     occupation 
      1     -42.4623      1.00000
      2     -42.4622      1.00000
      3      -5.2044      1.00000
      4      -5.1087      1.00000
      5      -2.8533      1.00000
      6      -2.8514      1.00000
      7      -2.8393      1.00000
      8      -2.8371      1.00000
      9      -2.7998      1.00000
     10      -2.7939      1.00000
     11      -2.7281      1.00000
     12      -2.7264      1.00000
     13      -2.6625      1.00000
     14      -2.6299      1.00000
     15      -0.0156      1.00000
     16       0.1714      1.00000
     17       2.1181      1.00000
     18       2.2431      1.00000
     19       2.7787      1.00000
     20       3.1586      1.00000
     21       6.5898      0.00000
     22       6.8557      0.00000
     23       7.6228      0.00000
     24       7.8467      0.00000
     25       8.6092      0.00000
     26       8.7875      0.00000
     27       9.1978      0.00000
     28       9.5281      0.00000

 k-point   142 :       0.3077    0.1538    0.4615
  band No.  band energies     occupation 
      1     -42.4623      1.00000
      2     -42.4622      1.00000
      3      -5.0203      1.00000
      4      -4.9469      1.00000
      5      -2.8450      1.00000
      6      -2.8420      1.00000
      7      -2.8302      1.00000
      8      -2.8267      1.00000
      9      -2.7786      1.00000
     10      -2.7770      1.00000
     11      -2.7288      1.00000
     12      -2.7275      1.00000
     13      -2.5922      1.00000
     14      -2.5535      1.00000
     15      -0.5157      1.00000
     16      -0.3762      1.00000
     17       1.8009      1.00000
     18       1.9621      1.00000
     19       2.9340      1.00000
     20       3.3006      1.00000
     21       6.2460      0.00000
     22       6.5690      0.00000
     23       7.3667      0.00000
     24       7.5297      0.00000
     25       8.6343      0.00000
     26       9.0675      0.00000
     27       9.9783      0.00000
     28      10.1389      0.00000

 k-point   143 :       0.3846    0.1538    0.4615
  band No.  band energies     occupation 
      1     -42.4623      1.00000
      2     -42.4622      1.00000
      3      -4.9038      1.00000
      4      -4.8528      1.00000
      5      -2.8425      1.00000
      6      -2.8371      1.00000
      7      -2.8292      1.00000
      8      -2.8225      1.00000
      9      -2.7633      1.00000
     10      -2.7600      1.00000
     11      -2.7317      1.00000
     12      -2.7299      1.00000
     13      -2.5078      1.00000
     14      -2.4791      1.00000
     15      -0.8321      1.00000
     16      -0.7408      1.00000
     17       1.6425      1.00000
     18       1.8124      1.00000
     19       3.0946      1.00000
     20       3.3887      1.00000
     21       6.0355      0.00000
     22       6.3296      0.00000
     23       7.2269      0.00000
     24       7.3544      0.00000
     25       8.5645      0.00000
     26       9.0281      0.00000
     27      11.0552      0.00000
     28      11.2231      0.00000

 k-point   144 :       0.2308    0.2308    0.4615
  band No.  band energies     occupation 
      1     -42.4623      1.00000
      2     -42.4622      1.00000
      3      -5.0306      1.00000
      4      -4.9556      1.00000
      5      -2.8438      1.00000
      6      -2.8390      1.00000
      7      -2.8242      1.00000
      8      -2.8234      1.00000
      9      -2.7886      1.00000
     10      -2.7879      1.00000
     11      -2.7292      1.00000
     12      -2.7288      1.00000
     13      -2.5979      1.00000
     14      -2.5587      1.00000
     15      -0.4061      1.00000
     16      -0.2574      1.00000
     17       1.6116      1.00000
     18       1.7559      1.00000
     19       2.9388      1.00000
     20       3.3189      1.00000
     21       6.3848      0.00000
     22       6.7578      0.00000
     23       7.9849      0.00000
     24       8.2039      0.00000
     25       8.6210      0.00000
     26       8.8302      0.00000
     27       9.0835      0.00000
     28       9.1910      0.00000

 k-point   145 :       0.3077    0.2308    0.4615
  band No.  band energies     occupation 
      1     -42.4623      1.00000
      2     -42.4622      1.00000
      3      -4.8930      1.00000
      4      -4.8447      1.00000
      5      -2.8373      1.00000
      6      -2.8313      1.00000
      7      -2.8206      1.00000
      8      -2.8190      1.00000
      9      -2.7731      1.00000
     10      -2.7713      1.00000
     11      -2.7345      1.00000
     12      -2.7339      1.00000
     13      -2.5076      1.00000
     14      -2.4730      1.00000
     15      -0.7148      1.00000
     16      -0.6144      1.00000
     17       1.2768      1.00000
     18       1.4285      1.00000
     19       3.1597      1.00000
     20       3.4444      1.00000
     21       6.1393      0.00000
     22       6.4304      0.00000
     23       7.9554      0.00000
     24       8.2004      0.00000
     25       8.6431      0.00000
     26       8.8032      0.00000
     27       9.8530      0.00000
     28       9.9930      0.00000

 k-point   146 :       0.3846    0.2308    0.4615
  band No.  band energies     occupation 
      1     -42.4623      1.00000
      2     -42.4622      1.00000
      3      -4.8377      1.00000
      4      -4.8067      1.00000
      5      -2.8344      1.00000
      6      -2.8264      1.00000
      7      -2.8235      1.00000
      8      -2.8193      1.00000
      9      -2.7629      1.00000
     10      -2.7601      1.00000
     11      -2.7403      1.00000
     12      -2.7388      1.00000
     13      -2.4537      1.00000
     14      -2.4338      1.00000
     15      -0.8311      1.00000
     16      -0.7713      1.00000
     17       1.1633      1.00000
     18       1.3175      1.00000
     19       3.2774      1.00000
     20       3.4746      1.00000
     21       6.0614      0.00000
     22       6.2654      0.00000
     23       7.9150      0.00000
     24       8.1490      0.00000
     25       8.6366      0.00000
     26       8.7173      0.00000
     27      10.8744      0.00000
     28      11.0439      0.00000

 k-point   147 :       0.3077    0.3077    0.4615
  band No.  band energies     occupation 
      1     -42.4623      1.00000
      2     -42.4622      1.00000
      3      -4.8116      1.00000
      4      -4.7929      1.00000
      5      -2.8333      1.00000
      6      -2.8243      1.00000
      7      -2.8169      1.00000
      8      -2.8162      1.00000
      9      -2.7621      1.00000
     10      -2.7602      1.00000
     11      -2.7451      1.00000
     12      -2.7445      1.00000
     13      -2.4334      1.00000
     14      -2.4172      1.00000
     15      -0.8054      1.00000
     16      -0.7636      1.00000
     17       0.9724      1.00000
     18       1.1208      1.00000
     19       3.3637      1.00000
     20       3.4857      1.00000
     21       6.0890      0.00000
     22       6.2152      0.00000
     23       7.8557      0.00000
     24       8.3212      0.00000
     25       9.3660      0.00000
     26       9.5001      0.00000
     27      10.0476      0.00000
     28      10.1023      0.00000

 spin component 2

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -42.4638      1.00000
      2     -42.4628      1.00000
      3      -6.2423      1.00000
      4      -5.1404      1.00000
      5      -2.9088      1.00000
      6      -2.9088      1.00000
      7      -2.8753      1.00000
      8      -2.8753      1.00000
      9      -2.8574      1.00000
     10      -2.7397      1.00000
     11      -2.7397      1.00000
     12      -2.7153      1.00000
     13      -2.7153      1.00000
     14      -2.4802      1.00000
     15      -0.8239      1.00000
     16       3.7245      1.00000
     17       3.7245      1.00000
     18       4.7749      1.00000
     19       4.7749      1.00000
     20       5.0235      1.00000
     21       5.3472      0.00000
     22       5.7276      0.00000
     23       6.8881      0.00000
     24       6.8881      0.00000
     25       7.8790      0.00000
     26       8.9830      0.00000
     27       8.9830      0.00000
     28       9.7771      0.00000

 k-point     2 :       0.0769    0.0000    0.0000
  band No.  band energies     occupation 
      1     -42.4639      1.00000
      2     -42.4629      1.00000
      3      -6.1997      1.00000
      4      -5.1095      1.00000
      5      -2.9080      1.00000
      6      -2.9050      1.00000
      7      -2.8738      1.00000
      8      -2.8708      1.00000
      9      -2.8540      1.00000
     10      -2.7422      1.00000
     11      -2.7409      1.00000
     12      -2.7187      1.00000
     13      -2.7145      1.00000
     14      -2.4732      1.00000
     15      -0.7912      1.00000
     16       3.1349      1.00000
     17       3.5332      1.00000
     18       4.1944      1.00000
     19       4.7519      1.00000
     20       4.9722      1.00000
     21       5.7398      0.00000
     22       6.0520      0.00000
     23       7.0194      0.00000
     24       7.0211      0.00000
     25       8.0251      0.00000
     26       8.5723      0.00000
     27       9.2101      0.00000
     28       9.4738      0.00000

 k-point     3 :       0.1538    0.0000    0.0000
  band No.  band energies     occupation 
      1     -42.4639      1.00000
      2     -42.4629      1.00000
      3      -6.0751      1.00000
      4      -5.0231      1.00000
      5      -2.9035      1.00000
      6      -2.8946      1.00000
      7      -2.8687      1.00000
      8      -2.8584      1.00000
      9      -2.8444      1.00000
     10      -2.7490      1.00000
     11      -2.7433      1.00000
     12      -2.7266      1.00000
     13      -2.7125      1.00000
     14      -2.4522      1.00000
     15      -0.7051      1.00000
     16       2.1927      1.00000
     17       3.1357      1.00000
     18       3.2413      1.00000
     19       4.5913      1.00000
     20       4.6611      1.00000
     21       5.8735      0.00000
     22       6.5756      0.00000
     23       7.3637      0.00000
     24       7.3840      0.00000
     25       7.9026      0.00000
     26       8.9699      0.00000
     27       9.0646      0.00000
     28       9.3516      0.00000

 k-point     4 :       0.2308    0.0000    0.0000
  band No.  band energies     occupation 
      1     -42.4638      1.00000
      2     -42.4629      1.00000
      3      -5.8789      1.00000
      4      -4.9019      1.00000
      5      -2.8907      1.00000
      6      -2.8811      1.00000
      7      -2.8582      1.00000
      8      -2.8408      1.00000
      9      -2.8287      1.00000
     10      -2.7573      1.00000
     11      -2.7442      1.00000
     12      -2.7352      1.00000
     13      -2.7104      1.00000
     14      -2.4159      1.00000
     15      -0.6148      1.00000
     16       1.3647      1.00000
     17       2.2549      1.00000
     18       2.7233      1.00000
     19       4.1872      1.00000
     20       4.3234      1.00000
     21       5.8198      0.00000
     22       6.5448      0.00000
     23       7.4495      0.00000
     24       7.6197      0.00000
     25       8.2093      0.00000
     26       9.2996      0.00000
     27       9.5538      0.00000
     28       9.9112      0.00000

 k-point     5 :       0.3077    0.0000    0.0000
  band No.  band energies     occupation 
      1     -42.4638      1.00000
      2     -42.4628      1.00000
      3      -5.6329      1.00000
      4      -4.7815      1.00000
      5      -2.8720      1.00000
      6      -2.8687      1.00000
      7      -2.8365      1.00000
      8      -2.8220      1.00000
      9      -2.8055      1.00000
     10      -2.7637      1.00000
     11      -2.7417      1.00000
     12      -2.7391      1.00000
     13      -2.7083      1.00000
     14      -2.3673      1.00000
     15      -0.6359      1.00000
     16       0.8552      1.00000
     17       1.3445      1.00000
     18       2.3761      1.00000
     19       3.6481      1.00000
     20       4.0553      1.00000
     21       5.6813      0.00000
     22       6.3156      0.00000
     23       7.5178      0.00000
     24       7.6114      0.00000
     25       8.4577      0.00000
     26      10.2294      0.00000
     27      10.2878      0.00000
     28      10.5004      0.00000

 k-point     6 :       0.3846    0.0000    0.0000
  band No.  band energies     occupation 
      1     -42.4637      1.00000
      2     -42.4628      1.00000
      3      -5.3789      1.00000
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     10      -2.7683      1.00000
     11      -2.7362      1.00000
     12      -2.7159      1.00000
     13      -2.7065      1.00000
     14      -2.3416      1.00000
     15      -0.7851      1.00000
     16       0.4693      1.00000
     17       0.8638      1.00000
     18       2.1296      1.00000
     19       3.1433      1.00000
     20       3.8515      1.00000
     21       5.5384      0.00000
     22       6.1173      0.00000
     23       7.5149      0.00000
     24       7.6842      0.00000
     25       8.7659      0.00000
     26      10.3846      0.00000
     27      10.8353      0.00000
     28      11.3173      0.00000

 k-point     7 :       0.4615    0.0000    0.0000
  band No.  band energies     occupation 
      1     -42.4637      1.00000
      2     -42.4628      1.00000
      3      -5.1955      1.00000
      4      -4.6874      1.00000
      5      -2.8601      1.00000
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     10      -2.7580      1.00000
     11      -2.7316      1.00000
     12      -2.7053      1.00000
     13      -2.6211      1.00000
     14      -2.4019      1.00000
     15      -0.8087      1.00000
     16      -0.0634      1.00000
     17       0.9402      1.00000
     18       2.0021      1.00000
     19       2.8077      1.00000
     20       3.7433      1.00000
     21       5.4546      0.00000
     22       6.0114      0.00000
     23       7.4492      0.00000
     24       7.8138      0.00000
     25       9.2159      0.00000
     26       9.8035      0.00000
     27      10.9680      0.00000
     28      11.5148      0.00000

 k-point     8 :       0.0769    0.0769    0.0000
  band No.  band energies     occupation 
      1     -42.4638      1.00000
      2     -42.4629      1.00000
      3      -6.1161      1.00000
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      9      -2.8475      1.00000
     10      -2.7462      1.00000
     11      -2.7435      1.00000
     12      -2.7240      1.00000
     13      -2.7132      1.00000
     14      -2.4592      1.00000
     15      -0.7315      1.00000
     16       2.4850      1.00000
     17       3.1055      1.00000
     18       3.6407      1.00000
     19       4.5237      1.00000
     20       4.7839      1.00000
     21       6.1804      0.00000
     22       6.2460      0.00000
     23       7.1709      0.00000
     24       7.3722      0.00000
     25       8.2746      0.00000
     26       8.2843      0.00000
     27       9.2065      0.00000
     28       9.3186      0.00000

 k-point     9 :       0.1538    0.0769    0.0000
  band No.  band energies     occupation 
      1     -42.4638      1.00000
      2     -42.4629      1.00000
      3      -5.9553      1.00000
      4      -4.9468      1.00000
      5      -2.8958      1.00000
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      8      -2.8487      1.00000
      9      -2.8349      1.00000
     10      -2.7531      1.00000
     11      -2.7462      1.00000
     12      -2.7316      1.00000
     13      -2.7113      1.00000
     14      -2.4304      1.00000
     15      -0.6401      1.00000
     16       1.7024      1.00000
     17       2.4838      1.00000
     18       2.9021      1.00000
     19       4.1921      1.00000
     20       4.4197      1.00000
     21       6.1754      0.00000
     22       6.6737      0.00000
     23       7.4545      0.00000
     24       7.5602      0.00000
     25       8.0610      0.00000
     26       8.8796      0.00000
     27       9.0770      0.00000
     28       9.6448      0.00000

 k-point    10 :       0.2308    0.0769    0.0000
  band No.  band energies     occupation 
      1     -42.4638      1.00000
      2     -42.4629      1.00000
      3      -5.7327      1.00000
      4      -4.8257      1.00000
      5      -2.8774      1.00000
      6      -2.8740      1.00000
      7      -2.8465      1.00000
      8      -2.8299      1.00000
      9      -2.8166      1.00000
     10      -2.7601      1.00000
     11      -2.7460      1.00000
     12      -2.7377      1.00000
     13      -2.7089      1.00000
     14      -2.3858      1.00000
     15      -0.5974      1.00000
     16       1.0748      1.00000
     17       1.7148      1.00000
     18       2.3449      1.00000
     19       3.8497      1.00000
     20       3.9205      1.00000
     21       6.0683      0.00000
     22       6.7498      0.00000
     23       7.3891      0.00000
     24       7.7197      0.00000
     25       8.2945      0.00000
     26       9.2004      0.00000
     27       9.9200      0.00000
     28      10.5566      0.00000

 k-point    11 :       0.3077    0.0769    0.0000
  band No.  band energies     occupation 
      1     -42.4637      1.00000
      2     -42.4628      1.00000
      3      -5.4781      1.00000
      4      -4.7281      1.00000
      5      -2.8666      1.00000
      6      -2.8592      1.00000
      7      -2.8198      1.00000
      8      -2.8094      1.00000
      9      -2.7883      1.00000
     10      -2.7647      1.00000
     11      -2.7420      1.00000
     12      -2.7351      1.00000
     13      -2.7050      1.00000
     14      -2.3405      1.00000
     15      -0.7011      1.00000
     16       0.7432      1.00000
     17       0.9897      1.00000
     18       2.0088      1.00000
     19       3.3752      1.00000
     20       3.5779      1.00000
     21       5.9307      0.00000
     22       6.6222      0.00000
     23       7.2668      0.00000
     24       7.8561      0.00000
     25       8.6860      0.00000
     26       9.9666      0.00000
     27      10.6487      0.00000
     28      10.9407      0.00000

 k-point    12 :       0.3846    0.0769    0.0000
  band No.  band energies     occupation 
      1     -42.4637      1.00000
      2     -42.4628      1.00000
      3      -5.2480      1.00000
      4      -4.6884      1.00000
      5      -2.8626      1.00000
      6      -2.8528      1.00000
      7      -2.8033      1.00000
      8      -2.7906      1.00000
      9      -2.7709      1.00000
     10      -2.7611      1.00000
     11      -2.7358      1.00000
     12      -2.7113      1.00000
     13      -2.6657      1.00000
     14      -2.3550      1.00000
     15      -0.7989      1.00000
     16       0.1829      1.00000
     17       0.9203      1.00000
     18       1.8387      1.00000
     19       2.9155      1.00000
     20       3.4012      1.00000
     21       5.8229      0.00000
     22       6.4981      0.00000
     23       7.1754      0.00000
     24       8.0593      0.00000
     25       9.0620      0.00000
     26      10.1436      0.00000
     27      10.9937      0.00000
     28      11.1664      0.00000

 k-point    13 :       0.4615    0.0769    0.0000
  band No.  band energies     occupation 
      1     -42.4637      1.00000
      2     -42.4628      1.00000
      3      -5.1440      1.00000
      4      -4.6903      1.00000
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      8      -2.7809      1.00000
      9      -2.7756      1.00000
     10      -2.7567      1.00000
     11      -2.7335      1.00000
     12      -2.7081      1.00000
     13      -2.5849      1.00000
     14      -2.4220      1.00000
     15      -0.7593      1.00000
     16      -0.1379      1.00000
     17       0.9731      1.00000
     18       1.8013      1.00000
     19       2.7143      1.00000
     20       3.3410      1.00000
     21       5.7833      0.00000
     22       6.4522      0.00000
     23       7.1413      0.00000
     24       8.1574      0.00000
     25       9.5060      0.00000
     26       9.5994      0.00000
     27      11.1578      0.00000
     28      11.3437      0.00000

 k-point    14 :       0.1538    0.1538    0.0000
  band No.  band energies     occupation 
      1     -42.4638      1.00000
      2     -42.4629      1.00000
      3      -5.7671      1.00000
      4      -4.8426      1.00000
      5      -2.8779      1.00000
      6      -2.8776      1.00000
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      8      -2.8346      1.00000
      9      -2.8199      1.00000
     10      -2.7571      1.00000
     11      -2.7493      1.00000
     12      -2.7367      1.00000
     13      -2.7091      1.00000
     14      -2.3921      1.00000
     15      -0.5882      1.00000
     16       1.2583      1.00000
     17       1.7802      1.00000
     18       2.3295      1.00000
     19       3.6124      1.00000
     20       4.0375      1.00000
     21       6.6224      0.00000
     22       6.8751      0.00000
     23       7.4253      0.00000
     24       7.6856      0.00000
     25       8.3948      0.00000
     26       8.6819      0.00000
     27       9.1830      0.00000
     28      10.6802      0.00000

 k-point    15 :       0.2308    0.1538    0.0000
  band No.  band energies     occupation 
      1     -42.4637      1.00000
      2     -42.4629      1.00000
      3      -5.5314      1.00000
      4      -4.7447      1.00000
      5      -2.8703      1.00000
      6      -2.8533      1.00000
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     10      -2.7603      1.00000
     11      -2.7484      1.00000
     12      -2.7401      1.00000
     13      -2.7041      1.00000
     14      -2.3428      1.00000
     15      -0.6312      1.00000
     16       0.9668      1.00000
     17       1.1723      1.00000
     18       1.7646      1.00000
     19       3.1350      1.00000
     20       3.5392      1.00000
     21       6.6524      0.00000
     22       7.0515      0.00000
     23       7.3542      0.00000
     24       8.1649      0.00000
     25       8.4147      0.00000
     26       9.1552      0.00000
     27       9.7920      0.00000
     28      11.1165      0.00000

 k-point    16 :       0.3077    0.1538    0.0000
  band No.  band energies     occupation 
      1     -42.4637      1.00000
      2     -42.4629      1.00000
      3      -5.2870      1.00000
      4      -4.6916      1.00000
      5      -2.8666      1.00000
      6      -2.8406      1.00000
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     10      -2.7588      1.00000
     11      -2.7430      1.00000
     12      -2.7307      1.00000
     13      -2.6821      1.00000
     14      -2.3217      1.00000
     15      -0.7286      1.00000
     16       0.4776      1.00000
     17       0.9837      1.00000
     18       1.4710      1.00000
     19       2.8195      1.00000
     20       3.0257      1.00000
     21       6.6024      0.00000
     22       6.8285      0.00000
     23       7.5104      0.00000
     24       8.3361      0.00000
     25       8.9827      0.00000
     26       9.8355      0.00000
     27      10.5910      0.00000
     28      10.7985      0.00000

 k-point    17 :       0.3846    0.1538    0.0000
  band No.  band energies     occupation 
      1     -42.4638      1.00000
      2     -42.4628      1.00000
      3      -5.1058      1.00000
      4      -4.6950      1.00000
      5      -2.8655      1.00000
      6      -2.8369      1.00000
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     10      -2.7558      1.00000
     11      -2.7406      1.00000
     12      -2.7166      1.00000
     13      -2.5958      1.00000
     14      -2.3809      1.00000
     15      -0.6975      1.00000
     16      -0.0055      1.00000
     17       0.9295      1.00000
     18       1.5059      1.00000
     19       2.6287      1.00000
     20       2.6772      1.00000
     21       6.5949      0.00000
     22       6.6684      0.00000
     23       7.5340      0.00000
     24       8.5433      0.00000
     25       9.4392      0.00000
     26       9.9755      0.00000
     27      10.9129      0.00000
     28      11.2707      0.00000

 k-point    18 :       0.2308    0.2308    0.0000
  band No.  band energies     occupation 
      1     -42.4637      1.00000
      2     -42.4628      1.00000
      3      -5.3014      1.00000
      4      -4.6933      1.00000
      5      -2.8685      1.00000
      6      -2.8297      1.00000
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     10      -2.7506      1.00000
     11      -2.7495      1.00000
     12      -2.7433      1.00000
     13      -2.6845      1.00000
     14      -2.3107      1.00000
     15      -0.6839      1.00000
     16       0.6228      1.00000
     17       1.1249      1.00000
     18       1.2115      1.00000
     19       2.5335      1.00000
     20       3.0722      1.00000
     21       6.6172      0.00000
     22       7.5568      0.00000
     23       7.7020      0.00000
     24       8.4615      0.00000
     25       9.1467      0.00000
     26       9.1700      0.00000
     27      10.0135      0.00000
     28      10.8081      0.00000

 k-point    19 :       0.3077    0.2308    0.0000
  band No.  band energies     occupation 
      1     -42.4637      1.00000
      2     -42.4628      1.00000
      3      -5.0865      1.00000
      4      -4.6983      1.00000
      5      -2.8684      1.00000
      6      -2.8185      1.00000
      7      -2.8016      1.00000
      8      -2.7907      1.00000
      9      -2.7609      1.00000
     10      -2.7513      1.00000
     11      -2.7473      1.00000
     12      -2.7279      1.00000
     13      -2.6124      1.00000
     14      -2.3390      1.00000
     15      -0.6366      1.00000
     16       0.1787      1.00000
     17       0.8038      1.00000
     18       1.3885      1.00000
     19       2.1682      1.00000
     20       2.6078      1.00000
     21       6.4415      0.00000
     22       7.6585      0.00000
     23       8.1903      0.00000
     24       9.0358      0.00000
     25       9.2669      0.00000
     26       9.9347      0.00000
     27      10.3209      0.00000
     28      10.7852      0.00000

 k-point    20 :       0.3846    0.2308    0.0000
  band No.  band energies     occupation 
      1     -42.4637      1.00000
      2     -42.4629      1.00000
      3      -4.9774      1.00000
      4      -4.7292      1.00000
      5      -2.8686      1.00000
      6      -2.8157      1.00000
      7      -2.7996      1.00000
      8      -2.7805      1.00000
      9      -2.7615      1.00000
     10      -2.7522      1.00000
     11      -2.7492      1.00000
     12      -2.7227      1.00000
     13      -2.5348      1.00000
     14      -2.4010      1.00000
     15      -0.5219      1.00000
     16      -0.0781      1.00000
     17       0.6578      1.00000
     18       1.5778      1.00000
     19       2.0479      1.00000
     20       2.3537      1.00000
     21       6.3786      0.00000
     22       7.6522      0.00000
     23       8.3794      0.00000
     24       9.1443      0.00000
     25       9.6367      0.00000
     26      10.0591      0.00000
     27      10.7644      0.00000
     28      10.8879      0.00000

 k-point    21 :       0.3077    0.3077    0.0000
  band No.  band energies     occupation 
      1     -42.4637      1.00000
      2     -42.4629      1.00000
      3      -4.9112      1.00000
      4      -4.7618      1.00000
      5      -2.8700      1.00000
      6      -2.8012      1.00000
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      8      -2.7899      1.00000
      9      -2.7570      1.00000
     10      -2.7547      1.00000
     11      -2.7506      1.00000
     12      -2.7259      1.00000
     13      -2.5142      1.00000
     14      -2.4038      1.00000
     15      -0.4161      1.00000
     16      -0.0919      1.00000
     17       0.5036      1.00000
     18       1.7082      1.00000
     19       1.7967      1.00000
     20       2.1826      1.00000
     21       6.2804      0.00000
     22       8.4591      0.00000
     23       8.5843      0.00000
     24       9.4868      0.00000
     25       9.7997      0.00000
     26      10.0341      0.00000
     27      10.3913      0.00000
     28      10.8006      0.00000

 k-point    22 :       0.0000    0.0000    0.0769
  band No.  band energies     occupation 
      1     -42.4639      1.00000
      2     -42.4629      1.00000
      3      -6.2299      1.00000
      4      -5.1616      1.00000
      5      -2.9086      1.00000
      6      -2.9085      1.00000
      7      -2.8760      1.00000
      8      -2.8760      1.00000
      9      -2.8571      1.00000
     10      -2.7392      1.00000
     11      -2.7392      1.00000
     12      -2.7155      1.00000
     13      -2.7155      1.00000
     14      -2.5061      1.00000
     15      -0.7449      1.00000
     16       3.7375      1.00000
     17       3.7376      1.00000
     18       4.6687      1.00000
     19       4.7575      1.00000
     20       4.7575      1.00000
     21       5.3633      0.00000
     22       6.0362      0.00000
     23       6.8952      0.00000
     24       6.8953      0.00000
     25       7.8615      0.00000
     26       8.8345      0.00000
     27       8.8345      0.00000
     28       9.7773      0.00000

 k-point    23 :       0.0769    0.0000    0.0769
  band No.  band energies     occupation 
      1     -42.4638      1.00000
      2     -42.4629      1.00000
      3      -6.1874      1.00000
      4      -5.1303      1.00000
      5      -2.9077      1.00000
      6      -2.9047      1.00000
      7      -2.8745      1.00000
      8      -2.8715      1.00000
      9      -2.8538      1.00000
     10      -2.7416      1.00000
     11      -2.7404      1.00000
     12      -2.7192      1.00000
     13      -2.7147      1.00000
     14      -2.4985      1.00000
     15      -0.7137      1.00000
     16       3.1500      1.00000
     17       3.5471      1.00000
     18       4.0911      1.00000
     19       4.7285      1.00000
     20       4.8197      1.00000
     21       5.7822      0.00000
     22       6.1936      0.00000
     23       7.0336      0.00000
     24       7.0572      0.00000
     25       7.9841      0.00000
     26       8.5025      0.00000
     27       9.0362      0.00000
     28       9.5491      0.00000

 k-point    24 :       0.1538    0.0000    0.0769
  band No.  band energies     occupation 
      1     -42.4638      1.00000
      2     -42.4629      1.00000
      3      -6.0630      1.00000
      4      -5.0427      1.00000
      5      -2.9032      1.00000
      6      -2.8943      1.00000
      7      -2.8694      1.00000
      8      -2.8591      1.00000
      9      -2.8444      1.00000
     10      -2.7482      1.00000
     11      -2.7427      1.00000
     12      -2.7276      1.00000
     13      -2.7129      1.00000
     14      -2.4760      1.00000
     15      -0.6330      1.00000
     16       2.2111      1.00000
     17       3.1509      1.00000
     18       3.1701      1.00000
     19       4.5583      1.00000
     20       4.5963      1.00000
     21       5.8927      0.00000
     22       6.5830      0.00000
     23       7.3901      0.00000
     24       7.4415      0.00000
     25       7.8654      0.00000
     26       8.9040      0.00000
     27       9.1667      0.00000
     28       9.3056      0.00000

 k-point    25 :       0.2308    0.0000    0.0769
  band No.  band energies     occupation 
      1     -42.4638      1.00000
      2     -42.4629      1.00000
      3      -5.8673      1.00000
      4      -4.9192      1.00000
      5      -2.8904      1.00000
      6      -2.8806      1.00000
      7      -2.8589      1.00000
      8      -2.8415      1.00000
      9      -2.8290      1.00000
     10      -2.7564      1.00000
     11      -2.7437      1.00000
     12      -2.7360      1.00000
     13      -2.7108      1.00000
     14      -2.4381      1.00000
     15      -0.5559      1.00000
     16       1.3913      1.00000
     17       2.1985      1.00000
     18       2.7394      1.00000
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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    30 :       0.1538    0.0769    0.0769
  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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  band No.  band energies     occupation 
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  band No.  band energies     occupation 
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 k-point    38 :       0.3846    0.1538    0.0769
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 k-point    39 :       0.2308    0.2308    0.0769
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 k-point    40 :       0.3077    0.2308    0.0769
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 k-point    42 :       0.3077    0.3077    0.0769
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 k-point    43 :       0.0000    0.0000    0.1538
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 k-point    44 :       0.0769    0.0000    0.1538
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 k-point    45 :       0.1538    0.0000    0.1538
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 k-point    46 :       0.2308    0.0000    0.1538
  band No.  band energies     occupation 
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 k-point    47 :       0.3077    0.0000    0.1538
  band No.  band energies     occupation 
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 k-point    48 :       0.3846    0.0000    0.1538
  band No.  band energies     occupation 
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     25       8.8071      0.00000
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     27      11.2574      0.00000
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 k-point    49 :       0.4615    0.0000    0.1538
  band No.  band energies     occupation 
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     27      11.6828      0.00000
     28      12.0704      0.00000

 k-point    50 :       0.0769    0.0769    0.1538
  band No.  band energies     occupation 
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     25       8.0689      0.00000
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 k-point    51 :       0.1538    0.0769    0.1538
  band No.  band energies     occupation 
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 k-point    52 :       0.2308    0.0769    0.1538
  band No.  band energies     occupation 
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 k-point    53 :       0.3077    0.0769    0.1538
  band No.  band energies     occupation 
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 k-point    54 :       0.3846    0.0769    0.1538
  band No.  band energies     occupation 
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 k-point    55 :       0.4615    0.0769    0.1538
  band No.  band energies     occupation 
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 k-point    56 :       0.1538    0.1538    0.1538
  band No.  band energies     occupation 
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 k-point    57 :       0.2308    0.1538    0.1538
  band No.  band energies     occupation 
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 k-point    58 :       0.3077    0.1538    0.1538
  band No.  band energies     occupation 
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     27      10.1966      0.00000
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 k-point    59 :       0.3846    0.1538    0.1538
  band No.  band energies     occupation 
      1     -42.4637      1.00000
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 k-point    60 :       0.2308    0.2308    0.1538
  band No.  band energies     occupation 
      1     -42.4637      1.00000
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     28      10.1897      0.00000

 k-point    61 :       0.3077    0.2308    0.1538
  band No.  band energies     occupation 
      1     -42.4637      1.00000
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     27      10.4026      0.00000
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 k-point    62 :       0.3846    0.2308    0.1538
  band No.  band energies     occupation 
      1     -42.4637      1.00000
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     26      10.1875      0.00000
     27      10.5976      0.00000
     28      11.1391      0.00000

 k-point    63 :       0.3077    0.3077    0.1538
  band No.  band energies     occupation 
      1     -42.4637      1.00000
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 k-point    64 :       0.0000    0.0000    0.2308
  band No.  band energies     occupation 
      1     -42.4637      1.00000
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     25       8.1212      0.00000
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     27       8.2479      0.00000
     28       9.7760      0.00000

 k-point    65 :       0.0769    0.0000    0.2308
  band No.  band energies     occupation 
      1     -42.4637      1.00000
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 k-point    66 :       0.1538    0.0000    0.2308
  band No.  band energies     occupation 
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     25       7.9750      0.00000
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     28       9.6440      0.00000

 k-point    67 :       0.2308    0.0000    0.2308
  band No.  band energies     occupation 
      1     -42.4637      1.00000
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     25       8.6688      0.00000
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     27       9.5903      0.00000
     28       9.7567      0.00000

 k-point    68 :       0.3077    0.0000    0.2308
  band No.  band energies     occupation 
      1     -42.4636      1.00000
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     25       8.9373      0.00000
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     27      10.2677      0.00000
     28      10.4982      0.00000

 k-point    69 :       0.3846    0.0000    0.2308
  band No.  band energies     occupation 
      1     -42.4636      1.00000
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     20       3.5176      1.00000
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     25       8.6248      0.00000
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     27      11.1054      0.00000
     28      11.4527      0.00000

 k-point    70 :       0.4615    0.0000    0.2308
  band No.  band energies     occupation 
      1     -42.4636      1.00000
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     27      11.6254      0.00000
     28      12.0611      0.00000

 k-point    71 :       0.0769    0.0769    0.2308
  band No.  band energies     occupation 
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 k-point    72 :       0.1538    0.0769    0.2308
  band No.  band energies     occupation 
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 k-point    73 :       0.2308    0.0769    0.2308
  band No.  band energies     occupation 
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     28      10.2901      0.00000

 k-point    74 :       0.3077    0.0769    0.2308
  band No.  band energies     occupation 
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     27      10.2117      0.00000
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 k-point    75 :       0.3846    0.0769    0.2308
  band No.  band energies     occupation 
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     27      11.0487      0.00000
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 k-point    76 :       0.4615    0.0769    0.2308
  band No.  band energies     occupation 
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     27      11.2284      0.00000
     28      12.3301      0.00000

 k-point    77 :       0.1538    0.1538    0.2308
  band No.  band energies     occupation 
      1     -42.4637      1.00000
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     28      10.1668      0.00000

 k-point    78 :       0.2308    0.1538    0.2308
  band No.  band energies     occupation 
      1     -42.4636      1.00000
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     27       9.7669      0.00000
     28      10.3294      0.00000

 k-point    79 :       0.3077    0.1538    0.2308
  band No.  band energies     occupation 
      1     -42.4636      1.00000
      2     -42.4630      1.00000
      3      -5.2113      1.00000
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     11      -2.7349      1.00000
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     25       8.8140      0.00000
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     27      10.2515      0.00000
     28      10.7451      0.00000

 k-point    80 :       0.3846    0.1538    0.2308
  band No.  band energies     occupation 
      1     -42.4636      1.00000
      2     -42.4629      1.00000
      3      -5.0461      1.00000
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     11      -2.7366      1.00000
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     20       3.1804      1.00000
     21       6.5190      0.00000
     22       6.7280      0.00000
     23       7.1614      0.00000
     24       8.0180      0.00000
     25       8.3660      0.00000
     26      10.2737      0.00000
     27      10.6142      0.00000
     28      11.2274      0.00000

 k-point    81 :       0.2308    0.2308    0.2308
  band No.  band energies     occupation 
      1     -42.4636      1.00000
      2     -42.4630      1.00000
      3      -5.2247      1.00000
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     10      -2.7692      1.00000
     11      -2.7348      1.00000
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     14      -2.4039      1.00000
     15      -0.6609      1.00000
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     18       1.6512      1.00000
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     20       3.5176      1.00000
     21       6.5550      0.00000
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     24       8.4431      0.00000
     25       8.6985      0.00000
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     27       9.5700      0.00000
     28      10.4478      0.00000

 k-point    82 :       0.3077    0.2308    0.2308
  band No.  band energies     occupation 
      1     -42.4636      1.00000
      2     -42.4630      1.00000
      3      -5.0289      1.00000
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     10      -2.7609      1.00000
     11      -2.7379      1.00000
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     20       3.1464      1.00000
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     27      10.1564      0.00000
     28      10.6009      0.00000

 k-point    83 :       0.3846    0.2308    0.2308
  band No.  band energies     occupation 
      1     -42.4636      1.00000
      2     -42.4630      1.00000
      3      -4.9337      1.00000
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     10      -2.7510      1.00000
     11      -2.7449      1.00000
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     27      10.3493      0.00000
     28      11.1294      0.00000

 k-point    84 :       0.3077    0.3077    0.2308
  band No.  band energies     occupation 
      1     -42.4636      1.00000
      2     -42.4630      1.00000
      3      -4.8780      1.00000
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     10      -2.7543      1.00000
     11      -2.7463      1.00000
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     14      -2.3990      1.00000
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     20       2.7721      1.00000
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     22       7.2302      0.00000
     23       7.6581      0.00000
     24       9.0799      0.00000
     25       9.3860      0.00000
     26       9.9663      0.00000
     27      10.4070      0.00000
     28      10.4881      0.00000

 k-point    85 :       0.0000    0.0000    0.3077
  band No.  band energies     occupation 
      1     -42.4637      1.00000
      2     -42.4631      1.00000
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     10      -2.7324      1.00000
     11      -2.7324      1.00000
     12      -2.7185      1.00000
     13      -2.7185      1.00000
     14      -2.7074      1.00000
     15       0.2018      1.00000
     16       2.8758      1.00000
     17       3.9243      1.00000
     18       3.9243      1.00000
     19       4.5211      1.00000
     20       4.5211      1.00000
     21       5.6034      0.00000
     22       6.4933      0.00000
     23       7.0447      0.00000
     24       7.0447      0.00000
     25       7.9661      0.00000
     26       7.9661      0.00000
     27       8.5766      0.00000
     28       9.7703      0.00000

 k-point    86 :       0.0769    0.0000    0.3077
  band No.  band energies     occupation 
      1     -42.4636      1.00000
      2     -42.4631      1.00000
      3      -6.0086      1.00000
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     10      -2.7366      1.00000
     11      -2.7333      1.00000
     12      -2.7321      1.00000
     13      -2.7182      1.00000
     14      -2.6866      1.00000
     15       0.2153      1.00000
     16       2.7665      1.00000
     17       3.3787      1.00000
     18       3.7485      1.00000
     19       4.1967      1.00000
     20       4.4275      1.00000
     21       5.9959      0.00000
     22       6.6410      0.00000
     23       7.2380      0.00000
     24       7.2402      0.00000
     25       7.9135      0.00000
     26       8.1958      0.00000
     27       8.4787      0.00000
     28       9.9523      0.00000

 k-point    87 :       0.1538    0.0000    0.3077
  band No.  band energies     occupation 
      1     -42.4636      1.00000
      2     -42.4631      1.00000
      3      -5.8880      1.00000
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      9      -2.8391      1.00000
     10      -2.7539      1.00000
     11      -2.7351      1.00000
     12      -2.7332      1.00000
     13      -2.7177      1.00000
     14      -2.6566      1.00000
     15       0.2265      1.00000
     16       2.2886      1.00000
     17       2.5413      1.00000
     18       3.3728      1.00000
     19       3.7957      1.00000
     20       4.1640      1.00000
     21       6.0632      0.00000
     22       6.7426      0.00000
     23       7.5790      0.00000
     24       7.7266      0.00000
     25       8.2065      0.00000
     26       8.5602      0.00000
     27       8.7516      0.00000
     28       9.9226      0.00000

 k-point    88 :       0.2308    0.0000    0.3077
  band No.  band energies     occupation 
      1     -42.4636      1.00000
      2     -42.4631      1.00000
      3      -5.6998      1.00000
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      8      -2.8511      1.00000
      9      -2.8275      1.00000
     10      -2.7664      1.00000
     11      -2.7362      1.00000
     12      -2.7313      1.00000
     13      -2.7171      1.00000
     14      -2.6180      1.00000
     15       0.1156      1.00000
     16       1.5078      1.00000
     17       1.8947      1.00000
     18       2.9753      1.00000
     19       3.6554      1.00000
     20       3.8350      1.00000
     21       5.8390      0.00000
     22       6.4811      0.00000
     23       7.2765      0.00000
     24       8.2382      0.00000
     25       8.8381      0.00000
     26       9.4225      0.00000
     27       9.4399      0.00000
     28       9.8554      0.00000

 k-point    89 :       0.3077    0.0000    0.3077
  band No.  band energies     occupation 
      1     -42.4636      1.00000
      2     -42.4630      1.00000
      3      -5.4683      1.00000
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      8      -2.8327      1.00000
      9      -2.8043      1.00000
     10      -2.7709      1.00000
     11      -2.7350      1.00000
     12      -2.7204      1.00000
     13      -2.7162      1.00000
     14      -2.5623      1.00000
     15      -0.2567      1.00000
     16       0.6980      1.00000
     17       1.6664      1.00000
     18       2.6378      1.00000
     19       3.5360      1.00000
     20       3.5760      1.00000
     21       5.6490      0.00000
     22       6.1704      0.00000
     23       6.8670      0.00000
     24       8.4677      0.00000
     25       8.7877      0.00000
     26       9.6984      0.00000
     27      10.1482      0.00000
     28      10.5158      0.00000

 k-point    90 :       0.3846    0.0000    0.3077
  band No.  band energies     occupation 
      1     -42.4635      1.00000
      2     -42.4630      1.00000
      3      -5.2370      1.00000
      4      -4.8491      1.00000
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      7      -2.8351      1.00000
      8      -2.8177      1.00000
      9      -2.7749      1.00000
     10      -2.7627      1.00000
     11      -2.7316      1.00000
     12      -2.7151      1.00000
     13      -2.6777      1.00000
     14      -2.4906      1.00000
     15      -0.7117      1.00000
     16      -0.0187      1.00000
     17       1.7625      1.00000
     18       2.3973      1.00000
     19       3.3170      1.00000
     20       3.4370      1.00000
     21       5.5502      0.00000
     22       5.8832      0.00000
     23       6.7451      0.00000
     24       8.1399      0.00000
     25       8.4757      0.00000
     26       9.7730      0.00000
     27      10.7973      0.00000
     28      11.4230      0.00000

 k-point    91 :       0.4615    0.0000    0.3077
  band No.  band energies     occupation 
      1     -42.4635      1.00000
      2     -42.4630      1.00000
      3      -5.0779      1.00000
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     10      -2.7482      1.00000
     11      -2.7284      1.00000
     12      -2.7142      1.00000
     13      -2.5873      1.00000
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     15      -0.9642      1.00000
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     17       1.9139      1.00000
     18       2.2727      1.00000
     19       3.2023      1.00000
     20       3.2863      1.00000
     21       5.5307      0.00000
     22       5.6944      0.00000
     23       6.8888      0.00000
     24       7.5921      0.00000
     25       8.4450      0.00000
     26       9.7939      0.00000
     27      11.0917      0.00000
     28      11.8594      0.00000

 k-point    92 :       0.0769    0.0769    0.3077
  band No.  band energies     occupation 
      1     -42.4636      1.00000
      2     -42.4631      1.00000
      3      -5.9276      1.00000
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     10      -2.7496      1.00000
     11      -2.7344      1.00000
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     15       0.2287      1.00000
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     17       2.7708      1.00000
     18       3.4078      1.00000
     19       3.9487      1.00000
     20       4.1559      1.00000
     21       6.3309      0.00000
     22       6.6531      0.00000
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     25       7.9456      0.00000
     26       8.2256      0.00000
     27       8.8278      0.00000
     28       9.8937      0.00000

 k-point    93 :       0.1538    0.0769    0.3077
  band No.  band energies     occupation 
      1     -42.4636      1.00000
      2     -42.4631      1.00000
      3      -5.7728      1.00000
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     10      -2.7629      1.00000
     11      -2.7355      1.00000
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     15       0.1866      1.00000
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     19       3.7009      1.00000
     20       3.8453      1.00000
     21       6.2585      0.00000
     22       6.7545      0.00000
     23       7.5120      0.00000
     24       7.9486      0.00000
     25       8.2723      0.00000
     26       8.5592      0.00000
     27       9.6216      0.00000
     28       9.8316      0.00000

 k-point    94 :       0.2308    0.0769    0.3077
  band No.  band energies     occupation 
      1     -42.4636      1.00000
      2     -42.4631      1.00000
      3      -5.5615      1.00000
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     18       2.5532      1.00000
     19       3.3436      1.00000
     20       3.7628      1.00000
     21       6.0067      0.00000
     22       6.5607      0.00000
     23       7.1932      0.00000
     24       8.2145      0.00000
     25       8.7533      0.00000
     26       9.2208      0.00000
     27       9.5961      0.00000
     28      10.3251      0.00000

 k-point    95 :       0.3077    0.0769    0.3077
  band No.  band energies     occupation 
      1     -42.4635      1.00000
      2     -42.4630      1.00000
      3      -5.3262      1.00000
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     11      -2.7331      1.00000
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     18       2.2821      1.00000
     19       3.0451      1.00000
     20       3.6600      1.00000
     21       5.8379      0.00000
     22       6.2812      0.00000
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     24       8.1672      0.00000
     25       8.5617      0.00000
     26       9.7338      0.00000
     27      10.1680      0.00000
     28      10.7406      0.00000

 k-point    96 :       0.3846    0.0769    0.3077
  band No.  band energies     occupation 
      1     -42.4635      1.00000
      2     -42.4630      1.00000
      3      -5.1227      1.00000
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     17       1.7536      1.00000
     18       2.2163      1.00000
     19       2.8397      1.00000
     20       3.4903      1.00000
     21       5.7821      0.00000
     22       6.0734      0.00000
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     24       7.8132      0.00000
     25       8.2414      0.00000
     26      10.0807      0.00000
     27      10.6350      0.00000
     28      11.3546      0.00000

 k-point    97 :       0.4615    0.0769    0.3077
  band No.  band energies     occupation 
      1     -42.4635      1.00000
      2     -42.4630      1.00000
      3      -5.0351      1.00000
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     11      -2.7302      1.00000
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     13      -2.5551      1.00000
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     17       1.7558      1.00000
     18       2.2670      1.00000
     19       2.7533      1.00000
     20       3.3927      1.00000
     21       5.7803      0.00000
     22       5.9955      0.00000
     23       7.1018      0.00000
     24       7.4869      0.00000
     25       8.1844      0.00000
     26      10.1523      0.00000
     27      10.6857      0.00000
     28      12.1402      0.00000

 k-point    98 :       0.1538    0.1538    0.3077
  band No.  band energies     occupation 
      1     -42.4636      1.00000
      2     -42.4631      1.00000
      3      -5.5939      1.00000
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     10      -2.7713      1.00000
     11      -2.7338      1.00000
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     13      -2.7136      1.00000
     14      -2.5932      1.00000
     15       0.0151      1.00000
     16       1.2443      1.00000
     17       1.8334      1.00000
     18       2.3841      1.00000
     19       3.1933      1.00000
     20       3.8118      1.00000
     21       6.4434      0.00000
     22       6.8091      0.00000
     23       7.8888      0.00000
     24       7.9769      0.00000
     25       8.1674      0.00000
     26       8.3727      0.00000
     27       9.6894      0.00000
     28      10.2400      0.00000

 k-point    99 :       0.2308    0.1538    0.3077
  band No.  band energies     occupation 
      1     -42.4635      1.00000
      2     -42.4631      1.00000
      3      -5.3749      1.00000
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      5      -2.8606      1.00000
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     10      -2.7756      1.00000
     11      -2.7328      1.00000
     12      -2.7292      1.00000
     13      -2.6989      1.00000
     14      -2.5318      1.00000
     15      -0.3281      1.00000
     16       0.5842      1.00000
     17       1.7442      1.00000
     18       1.9659      1.00000
     19       2.7237      1.00000
     20       3.7709      1.00000
     21       6.2105      0.00000
     22       6.9271      0.00000
     23       7.6570      0.00000
     24       7.9986      0.00000
     25       8.5304      0.00000
     26       8.8704      0.00000
     27       9.4031      0.00000
     28      10.3944      0.00000

 k-point   100 :       0.3077    0.1538    0.3077
  band No.  band energies     occupation 
      1     -42.4635      1.00000
      2     -42.4630      1.00000
      3      -5.1565      1.00000
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     10      -2.7699      1.00000
     11      -2.7323      1.00000
     12      -2.7260      1.00000
     13      -2.6469      1.00000
     14      -2.4567      1.00000
     15      -0.6968      1.00000
     16      -0.0296      1.00000
     17       1.4980      1.00000
     18       2.0389      1.00000
     19       2.4214      1.00000
     20       3.6066      1.00000
     21       6.1219      0.00000
     22       6.8517      0.00000
     23       7.4405      0.00000
     24       7.7611      0.00000
     25       8.4164      0.00000
     26       9.6415      0.00000
     27      10.0166      0.00000
     28      10.5781      0.00000

 k-point   101 :       0.3846    0.1538    0.3077
  band No.  band energies     occupation 
      1     -42.4635      1.00000
      2     -42.4630      1.00000
      3      -5.0040      1.00000
      4      -4.7657      1.00000
      5      -2.8515      1.00000
      6      -2.8390      1.00000
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      8      -2.8089      1.00000
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     10      -2.7536      1.00000
     11      -2.7348      1.00000
     12      -2.7251      1.00000
     13      -2.5557      1.00000
     14      -2.4239      1.00000
     15      -0.8863      1.00000
     16      -0.4644      1.00000
     17       1.3394      1.00000
     18       2.1473      1.00000
     19       2.3514      1.00000
     20       3.4020      1.00000
     21       6.1678      0.00000
     22       6.7754      0.00000
     23       7.3639      0.00000
     24       7.5670      0.00000
     25       8.1310      0.00000
     26      10.0691      0.00000
     27      10.5845      0.00000
     28      11.3045      0.00000

 k-point   102 :       0.2308    0.2308    0.3077
  band No.  band energies     occupation 
      1     -42.4635      1.00000
      2     -42.4631      1.00000
      3      -5.1691      1.00000
      4      -4.8184      1.00000
      5      -2.8552      1.00000
      6      -2.8330      1.00000
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      8      -2.8186      1.00000
      9      -2.7821      1.00000
     10      -2.7772      1.00000
     11      -2.7315      1.00000
     12      -2.7308      1.00000
     13      -2.6522      1.00000
     14      -2.4582      1.00000
     15      -0.6093      1.00000
     16       0.1058      1.00000
     17       1.3682      1.00000
     18       1.9074      1.00000
     19       2.2805      1.00000
     20       3.6470      1.00000
     21       6.2364      0.00000
     22       7.2437      0.00000
     23       7.6659      0.00000
     24       8.4186      0.00000
     25       8.4425      0.00000
     26       9.0306      0.00000
     27       9.3262      0.00000
     28      10.0779      0.00000

 k-point   103 :       0.3077    0.2308    0.3077
  band No.  band energies     occupation 
      1     -42.4635      1.00000
      2     -42.4630      1.00000
      3      -4.9885      1.00000
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      5      -2.8521      1.00000
      6      -2.8254      1.00000
      7      -2.8119      1.00000
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     10      -2.7641      1.00000
     11      -2.7361      1.00000
     12      -2.7324      1.00000
     13      -2.5644      1.00000
     14      -2.4031      1.00000
     15      -0.7887      1.00000
     16      -0.3175      1.00000
     17       1.0214      1.00000
     18       1.7381      1.00000
     19       2.3891      1.00000
     20       3.3981      1.00000
     21       6.3741      0.00000
     22       7.1771      0.00000
     23       7.3935      0.00000
     24       8.1878      0.00000
     25       8.9582      0.00000
     26       9.4822      0.00000
     27       9.8093      0.00000
     28      10.3575      0.00000

 k-point   104 :       0.3846    0.2308    0.3077
  band No.  band energies     occupation 
      1     -42.4636      1.00000
      2     -42.4630      1.00000
      3      -4.9039      1.00000
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      5      -2.8511      1.00000
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      8      -2.8064      1.00000
      9      -2.7649      1.00000
     10      -2.7530      1.00000
     11      -2.7431      1.00000
     12      -2.7340      1.00000
     13      -2.4943      1.00000
     14      -2.4065      1.00000
     15      -0.8078      1.00000
     16      -0.5342      1.00000
     17       0.9017      1.00000
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     21       6.5005      0.00000
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     25       8.9546      0.00000
     26       9.6165      0.00000
     27      10.5192      0.00000
     28      11.1476      0.00000

 k-point   105 :       0.3077    0.3077    0.3077
  band No.  band energies     occupation 
      1     -42.4635      1.00000
      2     -42.4630      1.00000
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     15      -0.7422      1.00000
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     17       0.7217      1.00000
     18       1.4300      1.00000
     19       2.6957      1.00000
     20       3.0968      1.00000
     21       6.6897      0.00000
     22       7.0243      0.00000
     23       7.1245      0.00000
     24       9.1253      0.00000
     25       9.2341      0.00000
     26       9.6546      0.00000
     27      10.2695      0.00000
     28      10.3110      0.00000

 k-point   106 :       0.0000    0.0000    0.3846
  band No.  band energies     occupation 
      1     -42.4636      1.00000
      2     -42.4632      1.00000
      3      -5.9480      1.00000
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     10      -2.7591      1.00000
     11      -2.7292      1.00000
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     14      -2.7205      1.00000
     15       0.6625      1.00000
     16       2.2830      1.00000
     17       4.0282      1.00000
     18       4.0282      1.00000
     19       4.4005      1.00000
     20       4.4005      1.00000
     21       5.7456      0.00000
     22       6.3109      0.00000
     23       7.1572      0.00000
     24       7.1572      0.00000
     25       7.7126      0.00000
     26       7.7126      0.00000
     27       9.1002      0.00000
     28       9.7521      0.00000

 k-point   107 :       0.0769    0.0000    0.3846
  band No.  band energies     occupation 
      1     -42.4635      1.00000
      2     -42.4632      1.00000
      3      -5.9073      1.00000
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     10      -2.7650      1.00000
     11      -2.7299      1.00000
     12      -2.7291      1.00000
     13      -2.7205      1.00000
     14      -2.7115      1.00000
     15       0.6654      1.00000
     16       2.2205      1.00000
     17       3.5061      1.00000
     18       3.8620      1.00000
     19       4.0091      1.00000
     20       4.2836      1.00000
     21       6.1155      0.00000
     22       6.5592      0.00000
     23       7.2746      0.00000
     24       7.3683      0.00000
     25       7.7153      0.00000
     26       7.9468      0.00000
     27       8.9937      0.00000
     28       9.9626      0.00000

 k-point   108 :       0.1538    0.0000    0.3846
  band No.  band energies     occupation 
      1     -42.4635      1.00000
      2     -42.4632      1.00000
      3      -5.7891      1.00000
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     10      -2.7749      1.00000
     11      -2.7314      1.00000
     12      -2.7274      1.00000
     13      -2.7205      1.00000
     14      -2.6910      1.00000
     15       0.6316      1.00000
     16       1.9152      1.00000
     17       2.6944      1.00000
     18       3.4682      1.00000
     19       3.4998      1.00000
     20       3.9882      1.00000
     21       6.1720      0.00000
     22       6.6243      0.00000
     23       7.7466      0.00000
     24       7.8974      0.00000
     25       8.2678      0.00000
     26       8.5216      0.00000
     27       8.6955      0.00000
     28       9.9855      0.00000

 k-point   109 :       0.2308    0.0000    0.3846
  band No.  band energies     occupation 
      1     -42.4635      1.00000
      2     -42.4632      1.00000
      3      -5.6058      1.00000
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      9      -2.8223      1.00000
     10      -2.7815      1.00000
     11      -2.7324      1.00000
     12      -2.7217      1.00000
     13      -2.7205      1.00000
     14      -2.6614      1.00000
     15       0.4069      1.00000
     16       1.2605      1.00000
     17       2.1477      1.00000
     18       3.1111      1.00000
     19       3.2692      1.00000
     20       3.6405      1.00000
     21       5.9378      0.00000
     22       6.3812      0.00000
     23       7.5535      0.00000
     24       8.4917      0.00000
     25       8.8110      0.00000
     26       9.2302      0.00000
     27       9.2746      0.00000
     28       9.7006      0.00000

 k-point   110 :       0.3077    0.0000    0.3846
  band No.  band energies     occupation 
      1     -42.4635      1.00000
      2     -42.4631      1.00000
      3      -5.3830      1.00000
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     10      -2.7793      1.00000
     11      -2.7316      1.00000
     12      -2.7199      1.00000
     13      -2.7048      1.00000
     14      -2.6145      1.00000
     15      -0.0926      1.00000
     16       0.4895      1.00000
     17       2.0342      1.00000
     18       2.7789      1.00000
     19       3.2675      1.00000
     20       3.3315      1.00000
     21       5.7233      0.00000
     22       6.1471      0.00000
     23       6.9704      0.00000
     24       8.2972      0.00000
     25       8.8411      0.00000
     26       9.9130      0.00000
     27       9.9161      0.00000
     28      10.4858      0.00000

 k-point   111 :       0.3846    0.0000    0.3846
  band No.  band energies     occupation 
      1     -42.4634      1.00000
      2     -42.4631      1.00000
      3      -5.1653      1.00000
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     10      -2.7649      1.00000
     11      -2.7290      1.00000
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     15      -0.6265      1.00000
     16      -0.1983      1.00000
     17       2.1631      1.00000
     18       2.5416      1.00000
     19       3.1072      1.00000
     20       3.2797      1.00000
     21       5.5941      0.00000
     22       5.9610      0.00000
     23       6.6008      0.00000
     24       7.6018      0.00000
     25       8.9169      0.00000
     26      10.1115      0.00000
     27      10.3694      0.00000
     28      11.2222      0.00000

 k-point   112 :       0.4615    0.0000    0.3846
  band No.  band energies     occupation 
      1     -42.4634      1.00000
      2     -42.4631      1.00000
      3      -5.0203      1.00000
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     10      -2.7500      1.00000
     11      -2.7265      1.00000
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     13      -2.5677      1.00000
     14      -2.4849      1.00000
     15      -0.9448      1.00000
     16      -0.6525      1.00000
     17       2.3115      1.00000
     18       2.4186      1.00000
     19       2.9903      1.00000
     20       3.2536      1.00000
     21       5.5552      0.00000
     22       5.8018      0.00000
     23       6.6023      0.00000
     24       7.0563      0.00000
     25       8.9093      0.00000
     26      10.1508      0.00000
     27      10.5279      0.00000
     28      11.4494      0.00000

 k-point   113 :       0.0769    0.0769    0.3846
  band No.  band energies     occupation 
      1     -42.4636      1.00000
      2     -42.4632      1.00000
      3      -5.8278      1.00000
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     11      -2.7306      1.00000
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     14      -2.6973      1.00000
     15       0.6515      1.00000
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     17       2.9306      1.00000
     18       3.4734      1.00000
     19       3.7025      1.00000
     20       3.9985      1.00000
     21       6.4308      0.00000
     22       6.6956      0.00000
     23       7.4140      0.00000
     24       7.6076      0.00000
     25       8.0066      0.00000
     26       8.4627      0.00000
     27       8.8319      0.00000
     28       9.9985      0.00000

 k-point   114 :       0.1538    0.0769    0.3846
  band No.  band energies     occupation 
      1     -42.4635      1.00000
      2     -42.4632      1.00000
      3      -5.6767      1.00000
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     10      -2.7803      1.00000
     11      -2.7317      1.00000
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     15       0.5297      1.00000
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     18       3.0423      1.00000
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     21       6.3758      0.00000
     22       6.7539      0.00000
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     24       8.0895      0.00000
     25       8.2670      0.00000
     26       8.7237      0.00000
     27       9.4821      0.00000
     28       9.6570      0.00000

 k-point   115 :       0.2308    0.0769    0.3846
  band No.  band energies     occupation 
      1     -42.4635      1.00000
      2     -42.4632      1.00000
      3      -5.4723      1.00000
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     11      -2.7317      1.00000
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     15       0.1541      1.00000
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     19       3.1368      1.00000
     20       3.4447      1.00000
     21       6.1162      0.00000
     22       6.5572      0.00000
     23       7.2970      0.00000
     24       8.4556      0.00000
     25       8.5883      0.00000
     26       9.1043      0.00000
     27       9.4237      0.00000
     28      10.1654      0.00000

 k-point   116 :       0.3077    0.0769    0.3846
  band No.  band energies     occupation 
      1     -42.4634      1.00000
      2     -42.4631      1.00000
      3      -5.2486      1.00000
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     18       2.4496      1.00000
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     20       3.4546      1.00000
     21       5.8940      0.00000
     22       6.3357      0.00000
     23       6.8796      0.00000
     24       7.9353      0.00000
     25       8.6547      0.00000
     26       9.8101      0.00000
     27      10.0285      0.00000
     28      10.5674      0.00000

 k-point   117 :       0.3846    0.0769    0.3846
  band No.  band energies     occupation 
      1     -42.4634      1.00000
      2     -42.4631      1.00000
      3      -5.0606      1.00000
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     10      -2.7581      1.00000
     11      -2.7287      1.00000
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     13      -2.6027      1.00000
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     15      -0.8118      1.00000
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     17       2.0099      1.00000
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     19       2.6749      1.00000
     20       3.4417      1.00000
     21       5.7598      0.00000
     22       6.1595      0.00000
     23       6.7333      0.00000
     24       7.3352      0.00000
     25       8.6120      0.00000
     26      10.0962      0.00000
     27      10.4510      0.00000
     28      11.2877      0.00000

 k-point   118 :       0.4615    0.0769    0.3846
  band No.  band energies     occupation 
      1     -42.4634      1.00000
      2     -42.4631      1.00000
      3      -4.9823      1.00000
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     10      -2.7496      1.00000
     11      -2.7284      1.00000
     12      -2.7206      1.00000
     13      -2.5378      1.00000
     14      -2.4706      1.00000
     15      -0.9635      1.00000
     16      -0.7077      1.00000
     17       1.9740      1.00000
     18       2.5670      1.00000
     19       2.5892      1.00000
     20       3.4139      1.00000
     21       5.7198      0.00000
     22       6.0888      0.00000
     23       6.8579      0.00000
     24       6.9515      0.00000
     25       8.5881      0.00000
     26      10.1261      0.00000
     27      10.5385      0.00000
     28      11.7990      0.00000

 k-point   119 :       0.1538    0.1538    0.3846
  band No.  band energies     occupation 
      1     -42.4635      1.00000
      2     -42.4632      1.00000
      3      -5.5035      1.00000
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      9      -2.8190      1.00000
     10      -2.7852      1.00000
     11      -2.7311      1.00000
     12      -2.7260      1.00000
     13      -2.7108      1.00000
     14      -2.6408      1.00000
     15       0.2547      1.00000
     16       0.9996      1.00000
     17       2.1460      1.00000
     18       2.4824      1.00000
     19       3.0336      1.00000
     20       3.4543      1.00000
     21       6.6453      0.00000
     22       6.8910      0.00000
     23       7.8688      0.00000
     24       7.9015      0.00000
     25       8.1422      0.00000
     26       8.6481      0.00000
     27       9.2432      0.00000
     28      10.0212      0.00000

 k-point   120 :       0.2308    0.1538    0.3846
  band No.  band energies     occupation 
      1     -42.4635      1.00000
      2     -42.4631      1.00000
      3      -5.2944      1.00000
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      5      -2.8564      1.00000
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     10      -2.7851      1.00000
     11      -2.7300      1.00000
     12      -2.7259      1.00000
     13      -2.6853      1.00000
     14      -2.5862      1.00000
     15      -0.1822      1.00000
     16       0.3746      1.00000
     17       1.9639      1.00000
     18       2.1833      1.00000
     19       2.6144      1.00000
     20       3.5265      1.00000
     21       6.3273      0.00000
     22       6.9711      0.00000
     23       7.5882      0.00000
     24       8.1103      0.00000
     25       8.4288      0.00000
     26       8.7882      0.00000
     27       9.1819      0.00000
     28       9.9728      0.00000

 k-point   121 :       0.3077    0.1538    0.3846
  band No.  band energies     occupation 
      1     -42.4634      1.00000
      2     -42.4631      1.00000
      3      -5.0914      1.00000
      4      -4.8760      1.00000
      5      -2.8489      1.00000
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     10      -2.7736      1.00000
     11      -2.7302      1.00000
     12      -2.7262      1.00000
     13      -2.6229      1.00000
     14      -2.5073      1.00000
     15      -0.6231      1.00000
     16      -0.2106      1.00000
     17       1.6466      1.00000
     18       2.1059      1.00000
     19       2.5615      1.00000
     20       3.5550      1.00000
     21       6.0604      0.00000
     22       6.8304      0.00000
     23       7.3427      0.00000
     24       7.7204      0.00000
     25       8.3169      0.00000
     26       9.4981      0.00000
     27       9.8672      0.00000
     28      10.3342      0.00000

 k-point   122 :       0.3846    0.1538    0.3846
  band No.  band energies     occupation 
      1     -42.4634      1.00000
      2     -42.4631      1.00000
      3      -4.9552      1.00000
      4      -4.8055      1.00000
      5      -2.8466      1.00000
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      8      -2.8152      1.00000
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     10      -2.7563      1.00000
     11      -2.7331      1.00000
     12      -2.7275      1.00000
     13      -2.5335      1.00000
     14      -2.4498      1.00000
     15      -0.8809      1.00000
     16      -0.6141      1.00000
     17       1.4850      1.00000
     18       1.9885      1.00000
     19       2.7200      1.00000
     20       3.5019      1.00000
     21       5.9705      0.00000
     22       6.6796      0.00000
     23       7.2052      0.00000
     24       7.4689      0.00000
     25       8.2111      0.00000
     26       9.5412      0.00000
     27      10.8403      0.00000
     28      11.3199      0.00000

 k-point   123 :       0.2308    0.2308    0.3846
  band No.  band energies     occupation 
      1     -42.4634      1.00000
      2     -42.4631      1.00000
      3      -5.1029      1.00000
      4      -4.8831      1.00000
      5      -2.8492      1.00000
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     10      -2.7837      1.00000
     11      -2.7299      1.00000
     12      -2.7289      1.00000
     13      -2.6287      1.00000
     14      -2.5112      1.00000
     15      -0.5238      1.00000
     16      -0.0832      1.00000
     17       1.4801      1.00000
     18       1.8924      1.00000
     19       2.5430      1.00000
     20       3.5862      1.00000
     21       6.1767      0.00000
     22       7.1483      0.00000
     23       7.7564      0.00000
     24       8.3722      0.00000
     25       8.4026      0.00000
     26       8.8943      0.00000
     27       9.1727      0.00000
     28       9.5972      0.00000

 k-point   124 :       0.3077    0.2308    0.3846
  band No.  band energies     occupation 
      1     -42.4634      1.00000
      2     -42.4631      1.00000
      3      -4.9418      1.00000
      4      -4.8003      1.00000
      5      -2.8445      1.00000
      6      -2.8277      1.00000
      7      -2.8172      1.00000
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     28      10.1611      0.00000

 k-point   125 :       0.3846    0.2308    0.3846
  band No.  band energies     occupation 
      1     -42.4634      1.00000
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     18       1.4802      1.00000
     19       2.9381      1.00000
     20       3.4436      1.00000
     21       6.1555      0.00000
     22       6.6761      0.00000
     23       7.5361      0.00000
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     25       8.7708      0.00000
     26       9.1172      0.00000
     27      10.6944      0.00000
     28      11.1412      0.00000

 k-point   126 :       0.3077    0.3077    0.3846
  band No.  band energies     occupation 
      1     -42.4634      1.00000
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     17       0.8385      1.00000
     18       1.2771      1.00000
     19       3.0651      1.00000
     20       3.3717      1.00000
     21       6.2733      0.00000
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     23       7.4293      0.00000
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     25       9.2313      0.00000
     26       9.5835      0.00000
     27      10.1004      0.00000
     28      10.2032      0.00000

 k-point   127 :       0.0000    0.0000    0.4615
  band No.  band energies     occupation 
      1     -42.4635      1.00000
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     10      -2.7966      1.00000
     11      -2.7260      1.00000
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     15       1.1689      1.00000
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     17       4.1463      1.00000
     18       4.1463      1.00000
     19       4.2728      1.00000
     20       4.2728      1.00000
     21       5.9157      0.00000
     22       6.1083      0.00000
     23       7.3062      0.00000
     24       7.3062      0.00000
     25       7.4918      0.00000
     26       7.4918      0.00000
     27       9.5172      0.00000
     28       9.6971      0.00000

 k-point   128 :       0.0769    0.0000    0.4615
  band No.  band energies     occupation 
      1     -42.4634      1.00000
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     10      -2.7974      1.00000
     11      -2.7265      1.00000
     12      -2.7247      1.00000
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     15       1.1572      1.00000
     16       1.6792      1.00000
     17       3.6573      1.00000
     18       3.8270      1.00000
     19       3.9929      1.00000
     20       4.1358      1.00000
     21       6.2584      0.00000
     22       6.4145      0.00000
     23       7.3810      0.00000
     24       7.5308      0.00000
     25       7.5336      0.00000
     26       7.7242      0.00000
     27       9.5085      0.00000
     28       9.8562      0.00000

 k-point   129 :       0.1538    0.0000    0.4615
  band No.  band energies     occupation 
      1     -42.4634      1.00000
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     10      -2.7991      1.00000
     11      -2.7276      1.00000
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     15       1.0604      1.00000
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     17       2.9089      1.00000
     18       3.1685      1.00000
     19       3.6482      1.00000
     20       3.8132      1.00000
     21       6.3087      0.00000
     22       6.4653      0.00000
     23       7.9372      0.00000
     24       8.0890      0.00000
     25       8.1187      0.00000
     26       8.2984      0.00000
     27       9.1125      0.00000
     28       9.5922      0.00000

 k-point   130 :       0.2308    0.0000    0.4615
  band No.  band energies     occupation 
      1     -42.4634      1.00000
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     24       8.4303      0.00000
     25       8.7483      0.00000
     26       8.9983      0.00000
     27       9.3500      0.00000
     28       9.5071      0.00000

 k-point   131 :       0.3077    0.0000    0.4615
  band No.  band energies     occupation 
      1     -42.4634      1.00000
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     15       0.0880      1.00000
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     20       3.1313      1.00000
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     25       9.2248      0.00000
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     27      10.1667      0.00000
     28      10.3646      0.00000

 k-point   132 :       0.3846    0.0000    0.4615
  band No.  band energies     occupation 
      1     -42.4633      1.00000
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     11      -2.7260      1.00000
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     25       9.3943      0.00000
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     27      10.4977      0.00000
     28      10.8865      0.00000

 k-point   133 :       0.4615    0.0000    0.4615
  band No.  band energies     occupation 
      1     -42.4633      1.00000
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     20       3.0402      1.00000
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     25       9.4205      0.00000
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     27      10.5611      0.00000
     28      11.0018      0.00000

 k-point   134 :       0.0769    0.0769    0.4615
  band No.  band energies     occupation 
      1     -42.4634      1.00000
      2     -42.4633      1.00000
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     25       8.1603      0.00000
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     27       9.2669      0.00000
     28       9.7506      0.00000

 k-point   135 :       0.1538    0.0769    0.4615
  band No.  band energies     occupation 
      1     -42.4634      1.00000
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     25       8.5647      0.00000
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     27       9.2927      0.00000
     28       9.3912      0.00000

 k-point   136 :       0.2308    0.0769    0.4615
  band No.  band energies     occupation 
      1     -42.4634      1.00000
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     25       8.7631      0.00000
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     27       9.5692      0.00000
     28       9.8680      0.00000

 k-point   137 :       0.3077    0.0769    0.4615
  band No.  band energies     occupation 
      1     -42.4633      1.00000
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     21       6.0558      0.00000
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     25       9.0656      0.00000
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     27      10.1664      0.00000
     28      10.3622      0.00000

 k-point   138 :       0.3846    0.0769    0.4615
  band No.  band energies     occupation 
      1     -42.4633      1.00000
      2     -42.4632      1.00000
      3      -4.9927      1.00000
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     20       3.2126      1.00000
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     24       6.9280      0.00000
     25       9.0747      0.00000
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     27      10.7961      0.00000
     28      11.0977      0.00000

 k-point   139 :       0.4615    0.0769    0.4615
  band No.  band energies     occupation 
      1     -42.4633      1.00000
      2     -42.4632      1.00000
      3      -4.9258      1.00000
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     11      -2.7262      1.00000
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     15      -0.9166      1.00000
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     17       2.1728      1.00000
     18       2.3699      1.00000
     19       2.9430      1.00000
     20       3.2484      1.00000
     21       5.8654      0.00000
     22       6.0828      0.00000
     23       6.6214      0.00000
     24       6.6606      0.00000
     25       9.0613      0.00000
     26       9.5792      0.00000
     27      10.9594      0.00000
     28      11.3898      0.00000

 k-point   140 :       0.1538    0.1538    0.4615
  band No.  band energies     occupation 
      1     -42.4634      1.00000
      2     -42.4633      1.00000
      3      -5.4003      1.00000
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     10      -2.7996      1.00000
     11      -2.7281      1.00000
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     13      -2.6972      1.00000
     14      -2.6744      1.00000
     15       0.5005      1.00000
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     17       2.4713      1.00000
     18       2.5751      1.00000
     19       2.9211      1.00000
     20       3.0781      1.00000
     21       6.8493      0.00000
     22       6.9308      0.00000
     23       7.7807      0.00000
     24       7.8007      0.00000
     25       8.3371      0.00000
     26       8.6184      0.00000
     27       9.2429      0.00000
     28       9.6251      0.00000

 k-point   141 :       0.2308    0.1538    0.4615
  band No.  band energies     occupation 
      1     -42.4634      1.00000
      2     -42.4633      1.00000
      3      -5.2038      1.00000
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     10      -2.7935      1.00000
     11      -2.7277      1.00000
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     14      -2.6295      1.00000
     15      -0.0146      1.00000
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     18       2.2442      1.00000
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     20       3.1595      1.00000
     21       6.5913      0.00000
     22       6.8570      0.00000
     23       7.6248      0.00000
     24       7.8485      0.00000
     25       8.6110      0.00000
     26       8.7893      0.00000
     27       9.1998      0.00000
     28       9.5300      0.00000

 k-point   142 :       0.3077    0.1538    0.4615
  band No.  band energies     occupation 
      1     -42.4633      1.00000
      2     -42.4633      1.00000
      3      -5.0198      1.00000
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     10      -2.7766      1.00000
     11      -2.7284      1.00000
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     14      -2.5531      1.00000
     15      -0.5147      1.00000
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     17       1.8021      1.00000
     18       1.9633      1.00000
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     20       3.3015      1.00000
     21       6.2476      0.00000
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     23       7.3687      0.00000
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     25       8.6363      0.00000
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     27       9.9800      0.00000
     28      10.1406      0.00000

 k-point   143 :       0.3846    0.1538    0.4615
  band No.  band energies     occupation 
      1     -42.4633      1.00000
      2     -42.4632      1.00000
      3      -4.9034      1.00000
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     10      -2.7597      1.00000
     11      -2.7314      1.00000
     12      -2.7295      1.00000
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     14      -2.4787      1.00000
     15      -0.8310      1.00000
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     17       1.6437      1.00000
     18       1.8135      1.00000
     19       3.0955      1.00000
     20       3.3894      1.00000
     21       6.0372      0.00000
     22       6.3313      0.00000
     23       7.2289      0.00000
     24       7.3563      0.00000
     25       8.5665      0.00000
     26       9.0301      0.00000
     27      11.0568      0.00000
     28      11.2248      0.00000

 k-point   144 :       0.2308    0.2308    0.4615
  band No.  band energies     occupation 
      1     -42.4633      1.00000
      2     -42.4632      1.00000
      3      -5.0300      1.00000
      4      -4.9551      1.00000
      5      -2.8434      1.00000
      6      -2.8386      1.00000
      7      -2.8238      1.00000
      8      -2.8230      1.00000
      9      -2.7881      1.00000
     10      -2.7875      1.00000
     11      -2.7288      1.00000
     12      -2.7284      1.00000
     13      -2.5975      1.00000
     14      -2.5583      1.00000
     15      -0.4051      1.00000
     16      -0.2564      1.00000
     17       1.6128      1.00000
     18       1.7571      1.00000
     19       2.9398      1.00000
     20       3.3197      1.00000
     21       6.3864      0.00000
     22       6.7592      0.00000
     23       7.9868      0.00000
     24       8.2057      0.00000
     25       8.6230      0.00000
     26       8.8320      0.00000
     27       9.0854      0.00000
     28       9.1930      0.00000

 k-point   145 :       0.3077    0.2308    0.4615
  band No.  band energies     occupation 
      1     -42.4633      1.00000
      2     -42.4632      1.00000
      3      -4.8925      1.00000
      4      -4.8442      1.00000
      5      -2.8369      1.00000
      6      -2.8309      1.00000
      7      -2.8202      1.00000
      8      -2.8186      1.00000
      9      -2.7727      1.00000
     10      -2.7709      1.00000
     11      -2.7341      1.00000
     12      -2.7335      1.00000
     13      -2.5071      1.00000
     14      -2.4725      1.00000
     15      -0.7138      1.00000
     16      -0.6134      1.00000
     17       1.2781      1.00000
     18       1.4297      1.00000
     19       3.1605      1.00000
     20       3.4452      1.00000
     21       6.1410      0.00000
     22       6.4320      0.00000
     23       7.9575      0.00000
     24       8.2023      0.00000
     25       8.6450      0.00000
     26       8.8052      0.00000
     27       9.8548      0.00000
     28       9.9947      0.00000

 k-point   146 :       0.3846    0.2308    0.4615
  band No.  band energies     occupation 
      1     -42.4633      1.00000
      2     -42.4632      1.00000
      3      -4.8372      1.00000
      4      -4.8063      1.00000
      5      -2.8340      1.00000
      6      -2.8260      1.00000
      7      -2.8231      1.00000
      8      -2.8189      1.00000
      9      -2.7625      1.00000
     10      -2.7597      1.00000
     11      -2.7400      1.00000
     12      -2.7384      1.00000
     13      -2.4532      1.00000
     14      -2.4334      1.00000
     15      -0.8300      1.00000
     16      -0.7702      1.00000
     17       1.1646      1.00000
     18       1.3187      1.00000
     19       3.2782      1.00000
     20       3.4753      1.00000
     21       6.0632      0.00000
     22       6.2671      0.00000
     23       7.9171      0.00000
     24       8.1509      0.00000
     25       8.6384      0.00000
     26       8.7194      0.00000
     27      10.8759      0.00000
     28      11.0455      0.00000

 k-point   147 :       0.3077    0.3077    0.4615
  band No.  band energies     occupation 
      1     -42.4633      1.00000
      2     -42.4632      1.00000
      3      -4.8111      1.00000
      4      -4.7925      1.00000
      5      -2.8329      1.00000
      6      -2.8239      1.00000
      7      -2.8165      1.00000
      8      -2.8158      1.00000
      9      -2.7617      1.00000
     10      -2.7598      1.00000
     11      -2.7447      1.00000
     12      -2.7441      1.00000
     13      -2.4329      1.00000
     14      -2.4168      1.00000
     15      -0.8043      1.00000
     16      -0.7626      1.00000
     17       0.9737      1.00000
     18       1.1221      1.00000
     19       3.3645      1.00000
     20       3.4864      1.00000
     21       6.0908      0.00000
     22       6.2169      0.00000
     23       7.8579      0.00000
     24       8.3234      0.00000
     25       9.3676      0.00000
     26       9.5017      0.00000
     27      10.0493      0.00000
     28      10.1040      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

 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line

 pseudopotential strength for first ion, spin component:           1
 40.289 -68.200  -0.000  -0.002   0.000  -0.000  -0.004   0.000
-68.200 117.883   0.000   0.003  -0.000   0.000   0.006  -0.000
 -0.000   0.000   9.282  -0.000  -0.000  14.784  -0.000  -0.000
 -0.002   0.003  -0.000   9.281   0.000  -0.000  14.783   0.000
  0.000  -0.000  -0.000   0.000   9.282  -0.000   0.000  14.784
 -0.000   0.000  14.784  -0.000  -0.000  23.556  -0.000  -0.000
 -0.004   0.006  -0.000  14.783   0.000  -0.000  23.555   0.000
  0.000  -0.000  -0.000   0.000  14.784  -0.000   0.000  23.556
 -0.000   0.000   0.000   0.000  -0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.001  -0.000   0.000  -0.002  -0.000   0.000
 -0.000   0.001   0.000  -0.001  -0.000   0.000  -0.001  -0.000
  0.000  -0.000   0.000   0.000  -0.001   0.000   0.000  -0.002
  0.000  -0.000  -0.000  -0.000   0.000  -0.000  -0.000   0.000
 pseudopotential strength for first ion, spin component:           2
 40.289 -68.200  -0.000  -0.002   0.000  -0.000  -0.004   0.000
-68.200 117.883   0.000   0.003  -0.000   0.000   0.006  -0.000
 -0.000   0.000   9.282  -0.000  -0.000  14.784  -0.000  -0.000
 -0.002   0.003  -0.000   9.281   0.000  -0.000  14.783   0.000
  0.000  -0.000  -0.000   0.000   9.282  -0.000   0.000  14.784
 -0.000   0.000  14.784  -0.000  -0.000  23.556  -0.000  -0.000
 -0.004   0.006  -0.000  14.783   0.000  -0.000  23.555   0.000
  0.000  -0.000  -0.000   0.000  14.784  -0.000   0.000  23.556
 -0.000   0.000   0.000   0.000  -0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.001  -0.000   0.000  -0.002  -0.000   0.000
 -0.000   0.001   0.000  -0.001  -0.000   0.000  -0.001  -0.000
  0.000  -0.000   0.000   0.000  -0.001   0.000   0.000  -0.002
  0.000  -0.000  -0.000  -0.000   0.000  -0.000  -0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.893   0.045  -0.000  -0.028  -0.000   0.000   0.018   0.000   0.000  -0.000  -0.009  -0.000   0.000
  0.045   0.005  -0.000  -0.005  -0.000   0.000   0.001   0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000  -0.000   3.736   0.000   0.000  -1.036  -0.000  -0.000  -0.000   0.043  -0.000   0.000   0.064
 -0.028  -0.005   0.000   3.454   0.000  -0.000  -0.924  -0.000   0.000  -0.000  -0.105  -0.000   0.000
 -0.000  -0.000   0.000   0.000   3.736  -0.000  -0.000  -1.036   0.064   0.000  -0.000   0.043   0.000
  0.000   0.000  -1.036  -0.000  -0.000   0.314   0.000   0.000   0.000  -0.014   0.000  -0.000  -0.020
  0.018   0.001  -0.000  -0.924  -0.000   0.000   0.274   0.000  -0.000   0.000   0.029   0.000  -0.000
  0.000   0.000  -0.000  -0.000  -1.036   0.000   0.000   0.314  -0.020  -0.000   0.000  -0.014  -0.000
  0.000  -0.000  -0.000   0.000   0.064   0.000  -0.000  -0.020   0.008  -0.000  -0.000   0.002  -0.000
 -0.000   0.000   0.043  -0.000   0.000  -0.014   0.000  -0.000  -0.000   0.006   0.000   0.000   0.002
 -0.009   0.000  -0.000  -0.105  -0.000   0.000   0.029   0.000  -0.000   0.000   0.010   0.000  -0.000
 -0.000   0.000   0.000  -0.000   0.043  -0.000   0.000  -0.014   0.002   0.000   0.000   0.006   0.000
  0.000  -0.000   0.064   0.000   0.000  -0.020  -0.000  -0.000   0.000   0.002  -0.000   0.000   0.008
 total augmentation occupancy for first ion, spin component:           2
  0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000   0.000
 -0.000  -0.000   0.000   0.000   0.000   0.000  -0.000   0.000  -0.000   0.000   0.000   0.000   0.000
 -0.000   0.000  -0.004  -0.000  -0.000   0.002   0.000   0.000   0.000  -0.000   0.000  -0.000  -0.000
 -0.000   0.000  -0.000  -0.003  -0.000   0.000   0.001   0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000  -0.000  -0.004   0.000   0.000   0.002  -0.000  -0.000   0.000  -0.000  -0.000
  0.000   0.000   0.002   0.000   0.000  -0.001  -0.000  -0.000  -0.000   0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000   0.001   0.000  -0.000  -0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000
  0.000   0.000   0.000   0.000   0.002  -0.000  -0.000  -0.001   0.000   0.000  -0.000   0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000  -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000   0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000  -0.000   0.000


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


    CHARGE:  cpu time    8.2320: real time   10.5097
    FORLOC:  cpu time    0.0080: real time    0.0090
    FORNL :  cpu time   26.2880: real time   29.6086
    STRESS:  cpu time   38.1080: real time   46.4747
    FORCOR:  cpu time    0.2560: real time    0.2965
    FORHAR:  cpu time    0.0320: real time    0.0410
    MIXING:  cpu time    0.0120: real time    0.0099
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    83.91691    83.91691    83.91691
  Ewald    -761.51896  -761.51894  -826.85342     0.00001     0.00000     0.00000
  Hartree   507.04558   507.04558   482.77631     0.00000     0.00000    -0.00000
  E(xc)    -212.29435  -212.29433  -212.24521     0.00002    -0.00000    -0.00000
  Local     -60.38209   -60.38307    27.39960    -0.00085    -0.00000     0.00000
  n-local    73.56542    75.75249    72.70578    -3.35892    -1.01173    -0.86855
  augment    85.82257    85.82344    86.54857     0.00075     0.00000     0.00000
  Kinetic   280.47155   286.91132   286.72369    -3.03167    -0.62340    -0.91336
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.94002     0.94002     0.97223     0.00000     0.00000     0.00000
  in kB      12.37610    12.37610    12.80011     0.00000     0.00000     0.00000
  external pressure =       12.52 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      623.79
  volume of cell :      121.69
      direct lattice vectors                 reciprocal lattice vectors
     4.430999755  0.000000000  0.000000000     0.225682703  0.130297969 -0.000000000
    -2.215499877  3.837358352  0.000000000     0.000000000  0.260595938 -0.000000000
     0.000000000  0.000000000  7.157000062     0.000000000 -0.000000000  0.139723347

  length of vectors
     4.430999755  4.430999755  7.157000062     0.260595938  0.260595938  0.139723347


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.290E-05 -.176E-06 -.248E+01   -.416E-05 0.240E-05 0.241E+01   0.722E-16 0.351E-16 0.783E-01   0.751E-08 -.433E-08 0.303E-03
   -.141E-05 -.104E-05 -.248E+01   0.416E-05 -.240E-05 0.241E+01   -.393E-16 0.202E-16 0.783E-01   0.119E-08 -.676E-09 0.303E-03
   -.102E-04 0.488E-05 0.984E+01   -.505E-05 0.292E-05 -.897E+01   -.346E-16 -.623E-16 -.770E+00   0.217E-06 -.126E-06 0.199E-01
   0.629E-05 -.465E-05 0.984E+01   0.505E-05 -.292E-05 -.897E+01   -.350E-16 -.908E-16 -.770E+00   -.156E-06 0.898E-07 0.199E-01
   -.331E-05 0.223E-05 -.623E+01   0.591E-06 -.341E-06 0.656E+01   -.273E-16 -.512E-16 -.455E+00   0.108E-07 -.565E-08 -.384E-02
   -.308E-05 0.210E-05 -.623E+01   -.591E-06 0.341E-06 0.656E+01   -.245E-16 -.512E-16 -.455E+00   -.143E-07 0.884E-08 -.384E-02
 -----------------------------------------------------------------------------------------------
   -.146E-04 0.335E-05 0.226E+01   -.307E-14 -.219E-14 -.355E-14   -.886E-16 -.200E-15 -.229E+01   0.664E-07 -.375E-07 0.327E-01


 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.21550      1.27912      6.33395         0.000000      0.000000      0.010698
     -0.00000      2.55824      2.75545         0.000000      0.000000      0.010698
      2.21550      1.27912      3.57850         0.000000      0.000000      0.116199
     -0.00000      2.55824      0.00000         0.000000      0.000000      0.116199
      0.00000      0.00000      4.98127        -0.000000     -0.000000     -0.126897
      0.00000      0.00000      1.40277        -0.000000     -0.000000     -0.126897
 -----------------------------------------------------------------------------------
    total drift:                               -0.000015      0.000003      0.002920


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -16.49531661 eV

  energy  without entropy=      -16.49531661  energy(sigma->0) =      -16.49531661



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


    POTLOK:  cpu time    0.5000: real time    0.6086


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


     LOOP+:  cpu time 1742.2760: real time 2173.9139


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



 plasma frequency squared (from intraband transitions) (eV^2)
  --------------------------------------------------------------------------------------
       0.000       0.000       0.000
       0.000       0.000       0.000
       0.000       0.000       0.000

 electrical conductivity sigma (Mega S m-1) (frequency dependency in vasprun.xml)
  --------------------------------------------------------------------------------------
       0.000       0.000       0.000
       0.000       0.000       0.000
       0.000       0.000       0.000

 plasma frequency squared (from interband transitions, int dw w eps(2)(w)) (eV^2)
  --------------------------------------------------------------------------------------
     182.459       0.000       0.000      -0.000       0.000       0.000
       0.000      -0.000     182.459       0.000       0.000      -0.000
       0.000      -0.000       0.000       0.000     177.384       0.000
  --------------------------------------------------------------------------------------
 sumrule: sum of plasma frequencies squared should yield (valence only):     453.229

 Anomalous Hall contribution (eV) 2/pi Imag((f_n-f_m)<u_m| d/dk_a u_n> <u_m| d/dk_b u_n>^*) 
  --------------------------------------------------------------------------------------
       0.000      -0.000       0.000
       0.000      -0.000       0.000
       0.000       0.000       0.000

  frequency dependent IMAGINARY DIELECTRIC FUNCTION (independent particle, no local field effects) density-density
     E(ev)      X         Y         Z        XY        YZ        ZX
  --------------------------------------------------------------------------------------------------------------
    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
    0.658186    0.636969    0.636969    2.584337    0.000000    0.000000    0.000000
    1.316373    4.720904    4.720904    5.903554    0.000000    0.000000    0.000000
    1.974559   10.376647   10.376647   14.110667    0.000000    0.000000    0.000000
    2.632745   25.536390   25.536390   38.288729    0.000000    0.000000    0.000000
    3.290932   30.564100   30.564100   20.406195    0.000000    0.000000    0.000000
    3.949118   21.935465   21.935465   15.165570    0.000000    0.000000    0.000000
    4.607305    8.347290    8.347290    9.324864    0.000000    0.000000    0.000000
    5.265491    5.316305    5.316305    5.329548    0.000000    0.000000    0.000000
    5.923677    2.964464    2.964464    3.478516    0.000000    0.000000    0.000000
    6.581864    2.153663    2.153663    2.590995    0.000000    0.000000    0.000000
    7.240050    1.505299    1.505299    1.558821    0.000000    0.000000    0.000000
    7.898236    0.852341    0.852341    0.935563    0.000000    0.000000    0.000000
    8.556423    0.692100    0.692100    0.747937    0.000000    0.000000    0.000000
    9.214609    0.499549    0.499549    0.587525    0.000000    0.000000    0.000000
    9.872795    0.352410    0.352410    0.406851    0.000000    0.000000    0.000000
   10.530982    0.347372    0.347372    0.326953    0.000000    0.000000    0.000000
   11.189168    0.311337    0.311337    0.310985    0.000000    0.000000    0.000000
   11.847354    0.286571    0.286571    0.259895    0.000000    0.000000    0.000000
   12.505541    0.251720    0.251720    0.247212    0.000000    0.000000    0.000000
   13.163727    0.177573    0.177573    0.175559    0.000000    0.000000    0.000000
   13.821914    0.109901    0.109901    0.112752    0.000000    0.000000    0.000000
   14.480100    0.050973    0.050973    0.060998    0.000000    0.000000    0.000000
   15.138286    0.031400    0.031400    0.047965    0.000000    0.000000    0.000000
   15.796473    0.021248    0.021248    0.024015    0.000000    0.000000    0.000000
   16.454659    0.013079    0.013079    0.012994    0.000000    0.000000    0.000000
   17.112845    0.009561    0.009561    0.009612    0.000000    0.000000    0.000000
   17.771032    0.008071    0.008071    0.007967    0.000000    0.000000    0.000000
   18.429218    0.007022    0.007022    0.006898    0.000000    0.000000    0.000000
   19.087404    0.006183    0.006183    0.006057    0.000000    0.000000   -0.000000
   19.745591    0.005488    0.005488    0.005367    0.000000    0.000000   -0.000000
   20.403777    0.004903    0.004903    0.004789    0.000000    0.000000   -0.000000
   21.061964    0.004403    0.004403    0.004297    0.000000    0.000000   -0.000000
   21.720150    0.003974    0.003974    0.003875    0.000000    0.000000   -0.000000
   22.378336    0.003601    0.003601    0.003509    0.000000    0.000000   -0.000000
   23.036523    0.003275    0.003275    0.003190    0.000000    0.000000   -0.000000
   23.694709    0.002988    0.002988    0.002910    0.000000    0.000000   -0.000000
   24.352895    0.002736    0.002736    0.002663    0.000000    0.000000   -0.000000
   25.011082    0.002511    0.002511    0.002444    0.000000    0.000000   -0.000000
   25.669268    0.002312    0.002312    0.002249    0.000000   -0.000000   -0.000000
   26.327454    0.002133    0.002133    0.002075    0.000000   -0.000000   -0.000000
   26.985641    0.001973    0.001973    0.001919    0.000000   -0.000000   -0.000000
   27.643827    0.001829    0.001829    0.001778    0.000000   -0.000000   -0.000000
   28.302013    0.001699    0.001699    0.001652    0.000000   -0.000000   -0.000000
   28.960200    0.001581    0.001581    0.001537    0.000000   -0.000000   -0.000000
   29.618386    0.001474    0.001474    0.001433    0.000000   -0.000000   -0.000000
   30.276573    0.001377    0.001377    0.001338    0.000000   -0.000000   -0.000000
   30.934759    0.001288    0.001288    0.001252    0.000000   -0.000000   -0.000000
   31.592945    0.001207    0.001207    0.001174    0.000000   -0.000000   -0.000000
   32.251132    0.001133    0.001133    0.001102    0.000000   -0.000000   -0.000000
   32.909318    0.001065    0.001065    0.001036    0.000000   -0.000000   -0.000000
   33.567504    0.001003    0.001003    0.000975    0.000000   -0.000000   -0.000000
   34.225691    0.000945    0.000945    0.000919    0.000000   -0.000000   -0.000000
   34.883877    0.000893    0.000893    0.000868    0.000000   -0.000000   -0.000000
   35.542063    0.000844    0.000844    0.000821    0.000000   -0.000000   -0.000000
   36.200250    0.000799    0.000799    0.000778    0.000000   -0.000000   -0.000000
   36.858436    0.000758    0.000758    0.000738    0.000000   -0.000000   -0.000000
   37.516623    0.000719    0.000719    0.000701    0.000000   -0.000000   -0.000000
   38.174809    0.000684    0.000684    0.000667    0.000000   -0.000000   -0.000000
   38.832995    0.000652    0.000652    0.000635    0.000000   -0.000000   -0.000000
   39.491182    0.000622    0.000622    0.000607    0.000000   -0.000000   -0.000000
   40.149368    0.000595    0.000595    0.000581    0.000000   -0.000000   -0.000000
   40.807554    0.000570    0.000570    0.000557    0.000000   -0.000000   -0.000000
   41.465741    0.000548    0.000548    0.000536    0.000000   -0.000000   -0.000000
   42.123927    0.000528    0.000528    0.000517    0.000000   -0.000000   -0.000000
   42.782113    0.000511    0.000511    0.000502    0.000000   -0.000000   -0.000000
   43.440300    0.000498    0.000498    0.000490    0.000000   -0.000000   -0.000000
   44.098486    0.000489    0.000489    0.000482    0.000000   -0.000000   -0.000000
   44.756672    0.000485    0.000485    0.000480    0.000000   -0.000000   -0.000000
   45.414859    0.000490    0.000490    0.000487    0.000000   -0.000000   -0.000000
   46.073045    0.000512    0.000512    0.000510    0.000000   -0.000000   -0.000000
   46.731232    0.000568    0.000568    0.000567    0.000000   -0.000000   -0.000000
   47.389418    0.000732    0.000732    0.000728    0.000000   -0.000000   -0.000000
   48.047604    0.002111    0.002111    0.002203    0.000000    0.000000   -0.000000
   48.705791    0.011512    0.011512    0.008912    0.000000    0.000000    0.000000
   49.363977    0.011730    0.011730    0.012815    0.000000    0.000000    0.000000
   50.022163    0.016970    0.016970    0.019417    0.000000    0.000000    0.000000
   50.680350    0.014403    0.014403    0.018585    0.000000    0.000000    0.000000
   51.338536    0.011887    0.011887    0.017375    0.000000    0.000000    0.000000
   51.996722    0.019240    0.019240    0.018258    0.000000    0.000000    0.000000
   52.654909    0.015641    0.015641    0.018576    0.000000    0.000000    0.000000
   53.313095    0.008090    0.008090    0.011339    0.000000    0.000000    0.000000
   53.971281    0.004306    0.004306    0.006322    0.000000    0.000000    0.000000
   54.629468    0.001568    0.001568    0.002109    0.000000    0.000000    0.000000
   55.287654    0.000496    0.000496    0.000559    0.000000   -0.000000   -0.000000
   55.945841    0.000369    0.000369    0.000400    0.000000   -0.000000   -0.000000
   56.604027    0.000311    0.000311    0.000329    0.000000   -0.000000   -0.000000
   57.262213    0.000276    0.000276    0.000287    0.000000   -0.000000   -0.000000
   57.920400    0.000251    0.000251    0.000259    0.000000   -0.000000   -0.000000
   58.578586    0.000232    0.000232    0.000237    0.000000   -0.000000   -0.000000
   59.236772    0.000217    0.000217    0.000220    0.000000   -0.000000   -0.000000
   59.894959    0.000205    0.000205    0.000207    0.000000   -0.000000   -0.000000
   60.553145    0.000194    0.000194    0.000195    0.000000   -0.000000   -0.000000
   61.211331    0.000185    0.000185    0.000185    0.000000   -0.000000   -0.000000
   61.869518    0.000176    0.000176    0.000176    0.000000   -0.000000   -0.000000
   62.527704    0.000169    0.000169    0.000168    0.000000   -0.000000   -0.000000
   63.185891    0.000162    0.000162    0.000161    0.000000   -0.000000   -0.000000
   63.844077    0.000156    0.000156    0.000154    0.000000   -0.000000   -0.000000
   64.502263    0.000150    0.000150    0.000148    0.000000   -0.000000   -0.000000
   65.160450    0.000144    0.000144    0.000143    0.000000   -0.000000   -0.000000

  frequency dependent      REAL DIELECTRIC FUNCTION (independent particle, no local field effects) density-density
     E(ev)        X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------------------------------------
    0.000000   17.720601   17.720601   19.176541    0.000000    0.000000    0.000000
    0.658186   19.247491   19.247491   21.750367    0.000000    0.000000    0.000000
    1.316373   22.007211   22.007211   23.246810    0.000000    0.000000    0.000000
    1.974559   27.217337   27.217337   28.900059    0.000000    0.000000    0.000000
    2.632745   17.081025   17.081025   -1.319399    0.000000   -0.000000   -0.000000
    3.290932    1.857827    1.857827   -0.615174    0.000000   -0.000000   -0.000000
    3.949118  -12.712495  -12.712495   -7.000745   -0.000000   -0.000000   -0.000000
    4.607305   -8.610659   -8.610659   -7.958154   -0.000000   -0.000000   -0.000000
    5.265491   -7.767979   -7.767979   -6.426718   -0.000000   -0.000000   -0.000000
    5.923677   -5.854106   -5.854106   -4.912242   -0.000000   -0.000000   -0.000000
    6.581864   -4.326049   -4.326049   -3.922160   -0.000000   -0.000000   -0.000000
    7.240050   -3.658141   -3.658141   -3.318069   -0.000000   -0.000000   -0.000000
    7.898236   -2.542209   -2.542209   -2.532097   -0.000000   -0.000000   -0.000000
    8.556423   -1.921703   -1.921703   -1.858543   -0.000000   -0.000000   -0.000000
    9.214609   -1.501638   -1.501638   -1.438626   -0.000000   -0.000000   -0.000000
    9.872795   -1.140912   -1.140912   -1.120814   -0.000000   -0.000000   -0.000000
   10.530982   -0.843389   -0.843389   -0.844008   -0.000000   -0.000000   -0.000000
   11.189168   -0.644822   -0.644822   -0.608011   -0.000000   -0.000000   -0.000000
   11.847354   -0.468604   -0.468604   -0.439759   -0.000000   -0.000000   -0.000000
   12.505541   -0.373067   -0.373067   -0.326338   -0.000000   -0.000000   -0.000000
   13.163727   -0.267073   -0.267073   -0.216601   -0.000000   -0.000000   -0.000000
   13.821914   -0.156082   -0.156082   -0.117182   -0.000000   -0.000000   -0.000000
   14.480100   -0.037243   -0.037243   -0.003478   -0.000000   -0.000000   -0.000000
   15.138286    0.079241    0.079241    0.099810   -0.000000   -0.000000   -0.000000
   15.796473    0.170291    0.170291    0.185064   -0.000000   -0.000000   -0.000000
   16.454659    0.248479    0.248479    0.265372   -0.000000   -0.000000   -0.000000
   17.112845    0.316495    0.316495    0.333216   -0.000000   -0.000000   -0.000000
   17.771032    0.373872    0.373872    0.390070   -0.000000   -0.000000   -0.000000
   18.429218    0.423386    0.423386    0.438811   -0.000000   -0.000000   -0.000000
   19.087404    0.466741    0.466741    0.481339   -0.000000   -0.000000   -0.000000
   19.745591    0.505074    0.505074    0.518858   -0.000000   -0.000000   -0.000000
   20.403777    0.539211    0.539211    0.552221   -0.000000   -0.000000   -0.000000
   21.061964    0.569791    0.569791    0.582076   -0.000000   -0.000000   -0.000000
   21.720150    0.597322    0.597322    0.608931   -0.000000   -0.000000   -0.000000
   22.378336    0.622217    0.622217    0.633200   -0.000000   -0.000000   -0.000000
   23.036523    0.644818    0.644818    0.655219   -0.000000   -0.000000   -0.000000
   23.694709    0.665408    0.665408    0.675272   -0.000000   -0.000000   -0.000000
   24.352895    0.684228    0.684228    0.693593   -0.000000   -0.000000   -0.000000
   25.011082    0.701480    0.701480    0.710383   -0.000000   -0.000000   -0.000000
   25.669268    0.717339    0.717339    0.725814   -0.000000   -0.000000   -0.000000
   26.327454    0.731955    0.731955    0.740032   -0.000000   -0.000000   -0.000000
   26.985641    0.745458    0.745458    0.753165   -0.000000   -0.000000   -0.000000
   27.643827    0.757960    0.757960    0.765323   -0.000000   -0.000000   -0.000000
   28.302013    0.769561    0.769561    0.776603   -0.000000   -0.000000   -0.000000
   28.960200    0.780347    0.780347    0.787090   -0.000000   -0.000000   -0.000000
   29.618386    0.790394    0.790394    0.796858   -0.000000   -0.000000   -0.000000
   30.276573    0.799771    0.799771    0.805973   -0.000000   -0.000000   -0.000000
   30.934759    0.808536    0.808536    0.814494   -0.000000   -0.000000   -0.000000
   31.592945    0.816744    0.816744    0.822473   -0.000000   -0.000000   -0.000000
   32.251132    0.824441    0.824441    0.829957   -0.000000   -0.000000   -0.000000
   32.909318    0.831672    0.831672    0.836987   -0.000000   -0.000000   -0.000000
   33.567504    0.838475    0.838475    0.843601   -0.000000   -0.000000   -0.000000
   34.225691    0.844884    0.844884    0.849833   -0.000000   -0.000000   -0.000000
   34.883877    0.850930    0.850930    0.855713   -0.000000   -0.000000   -0.000000
   35.542063    0.856643    0.856643    0.861270   -0.000000   -0.000000   -0.000000
   36.200250    0.862048    0.862048    0.866529   -0.000000   -0.000000   -0.000000
   36.858436    0.867170    0.867170    0.871513   -0.000000   -0.000000   -0.000000
   37.516623    0.872029    0.872029    0.876244   -0.000000   -0.000000   -0.000000
   38.174809    0.876647    0.876647    0.880742   -0.000000   -0.000000   -0.000000
   38.832995    0.881042    0.881042    0.885025   -0.000000   -0.000000   -0.000000
   39.491182    0.885233    0.885233    0.889111   -0.000000   -0.000000   -0.000000
   40.149368    0.889236    0.889236    0.893017   -0.000000   -0.000000   -0.000000
   40.807554    0.893067    0.893067    0.896758   -0.000000   -0.000000   -0.000000
   41.465741    0.896744    0.896744    0.900353   -0.000000   -0.000000   -0.000000
   42.123927    0.900282    0.900282    0.903817   -0.000000   -0.000000   -0.000000
   42.782113    0.903700    0.903700    0.907169   -0.000000   -0.000000   -0.000000
   43.440300    0.907019    0.907019    0.910430   -0.000000   -0.000000   -0.000000
   44.098486    0.910262    0.910262    0.913624   -0.000000   -0.000000   -0.000000
   44.756672    0.913461    0.913461    0.916785   -0.000000   -0.000000   -0.000000
   45.414859    0.916665    0.916665    0.919961   -0.000000   -0.000000   -0.000000
   46.073045    0.919950    0.919950    0.923231   -0.000000   -0.000000   -0.000000
   46.731232    0.923471    0.923471    0.926746   -0.000000   -0.000000   -0.000000
   47.389418    0.927629    0.927629    0.930893   -0.000000   -0.000000   -0.000000
   48.047604    0.934134    0.934134    0.937059   -0.000000   -0.000000   -0.000000
   48.705791    0.935306    0.935306    0.940887   -0.000000   -0.000000   -0.000000
   49.363977    0.931501    0.931501    0.939451   -0.000000   -0.000000   -0.000000
   50.022163    0.933178    0.933178    0.934092   -0.000000   -0.000000   -0.000000
   50.680350    0.929712    0.929712    0.934935   -0.000000   -0.000000   -0.000000
   51.338536    0.932329    0.932329    0.931624   -0.000000   -0.000000   -0.000000
   51.996722    0.930961    0.930961    0.934106   -0.000000   -0.000000   -0.000000
   52.654909    0.925151    0.925151    0.926113   -0.000000   -0.000000   -0.000000
   53.313095    0.925245    0.925245    0.922518   -0.000000   -0.000000   -0.000000
   53.971281    0.924251    0.924251    0.923157   -0.000000   -0.000000   -0.000000
   54.629468    0.929921    0.929921    0.929568   -0.000000   -0.000000   -0.000000
   55.287654    0.933738    0.933738    0.934103   -0.000000   -0.000000   -0.000000
   55.945841    0.936504    0.936504    0.937155   -0.000000   -0.000000   -0.000000
   56.604027    0.938721    0.938721    0.939528   -0.000000   -0.000000   -0.000000
   57.262213    0.940645    0.940645    0.941548   -0.000000   -0.000000   -0.000000
   57.920400    0.942375    0.942375    0.943339   -0.000000   -0.000000   -0.000000
   58.578586    0.943964    0.943964    0.944968   -0.000000   -0.000000   -0.000000
   59.236772    0.945442    0.945442    0.946472   -0.000000   -0.000000   -0.000000
   59.894959    0.946831    0.946831    0.947877   -0.000000   -0.000000   -0.000000
   60.553145    0.948143    0.948143    0.949198   -0.000000   -0.000000   -0.000000
   61.211331    0.949389    0.949389    0.950447   -0.000000   -0.000000   -0.000000
   61.869518    0.950577    0.950577    0.951635   -0.000000   -0.000000   -0.000000
   62.527704    0.951713    0.951713    0.952767   -0.000000   -0.000000   -0.000000
   63.185891    0.952802    0.952802    0.953849   -0.000000   -0.000000   -0.000000
   63.844077    0.953847    0.953847    0.954887   -0.000000   -0.000000   -0.000000
   64.502263    0.954852    0.954852    0.955882   -0.000000   -0.000000   -0.000000
   65.160450    0.955819    0.955819    0.956840   -0.000000   -0.000000   -0.000000

  frequency dependent IMAGINARY DIELECTRIC FUNCTION (independent particle, no local field effects) current-current (2nd set in vasprun.xml)
     E(ev)      X         Y         Z        XY        YZ        ZX
  --------------------------------------------------------------------------------------------------------------
    0.000000   50.856674   50.856674   55.196589    0.000000    0.000000    0.000000
    0.658186    6.175263    6.175263    8.743571    0.000000    0.000000    0.000000
    1.316373    7.910418    7.910418    9.221010    0.000000    0.000000    0.000000
    1.974559   13.026634   13.026634   16.913377    0.000000    0.000000    0.000000
    2.632745   26.767380   26.767380   38.154566    0.000000    0.000000    0.000000
    3.290932   30.609239   30.609239   20.278626    0.000000    0.000000    0.000000
    3.949118   21.224819   21.224819   14.758145    0.000000    0.000000    0.000000
    4.607305    7.925885    7.925885    8.927512    0.000000    0.000000    0.000000
    5.265491    4.979375    4.979375    5.043731    0.000000    0.000000    0.000000
    5.923677    2.732819    2.732819    3.280985    0.000000    0.000000    0.000000
    6.581864    1.991656    1.991656    2.440921    0.000000    0.000000    0.000000
    7.240050    1.375730    1.375730    1.438788    0.000000    0.000000    0.000000
    7.898236    0.762383    0.762383    0.846312    0.000000    0.000000    0.000000
    8.556423    0.623706    0.623706    0.681076    0.000000    0.000000    0.000000
    9.214609    0.445102    0.445102    0.534367    0.000000    0.000000    0.000000
    9.872795    0.308950    0.308950    0.363785    0.000000    0.000000    0.000000
   10.530982    0.312322    0.312322    0.291883    0.000000    0.000000    0.000000
   11.189168    0.281912    0.281912    0.282202    0.000000    0.000000    0.000000
   11.847354    0.261727    0.261727    0.235528    0.000000    0.000000    0.000000
   12.505541    0.229717    0.229717    0.225992    0.000000    0.000000    0.000000
   13.163727    0.158308    0.158308    0.157036    0.000000    0.000000    0.000000
   13.821914    0.093162    0.093162    0.096569    0.000000    0.000000    0.000000
   14.480100    0.036650    0.036650    0.047126    0.000000    0.000000    0.000000
   15.138286    0.019234    0.019234    0.036069    0.000000    0.000000    0.000000
   15.796473    0.010742    0.010742    0.013695    0.000000    0.000000    0.000000
   16.454659    0.003944    0.003944    0.004064    0.000000    0.000000    0.000000
   17.112845    0.001572    0.001572    0.001819    0.000000    0.000000    0.000000
   17.771032    0.001024    0.001024    0.001103    0.000000    0.000000    0.000000
   18.429218    0.000765    0.000765    0.000808    0.000000    0.000000    0.000000
   19.087404    0.000595    0.000595    0.000622    0.000000    0.000000    0.000000
   19.745591    0.000475    0.000475    0.000494    0.000000    0.000000    0.000000
   20.403777    0.000386    0.000386    0.000399    0.000000    0.000000    0.000000
   21.061964    0.000318    0.000318    0.000328    0.000000    0.000000    0.000000
   21.720150    0.000266    0.000266    0.000274    0.000000    0.000000    0.000000
   22.378336    0.000224    0.000224    0.000231    0.000000    0.000000    0.000000
   23.036523    0.000191    0.000191    0.000196    0.000000    0.000000    0.000000
   23.694709    0.000164    0.000164    0.000169    0.000000    0.000000    0.000000
   24.352895    0.000142    0.000142    0.000146    0.000000    0.000000    0.000000
   25.011082    0.000124    0.000124    0.000128    0.000000    0.000000    0.000000
   25.669268    0.000109    0.000109    0.000113    0.000000    0.000000    0.000000
   26.327454    0.000097    0.000097    0.000100    0.000000    0.000000    0.000000
   26.985641    0.000086    0.000086    0.000089    0.000000    0.000000    0.000000
   27.643827    0.000078    0.000078    0.000080    0.000000    0.000000    0.000000
   28.302013    0.000070    0.000070    0.000073    0.000000    0.000000    0.000000
   28.960200    0.000064    0.000064    0.000067    0.000000    0.000000    0.000000
   29.618386    0.000059    0.000059    0.000061    0.000000    0.000000    0.000000
   30.276573    0.000054    0.000054    0.000057    0.000000    0.000000    0.000000
   30.934759    0.000050    0.000050    0.000053    0.000000    0.000000    0.000000
   31.592945    0.000047    0.000047    0.000050    0.000000    0.000000    0.000000
   32.251132    0.000044    0.000044    0.000047    0.000000    0.000000    0.000000
   32.909318    0.000042    0.000042    0.000045    0.000000    0.000000    0.000000
   33.567504    0.000040    0.000040    0.000043    0.000000    0.000000    0.000000
   34.225691    0.000039    0.000039    0.000042    0.000000    0.000000    0.000000
   34.883877    0.000038    0.000038    0.000041    0.000000    0.000000    0.000000
   35.542063    0.000037    0.000037    0.000040    0.000000    0.000000    0.000000
   36.200250    0.000037    0.000037    0.000040    0.000000    0.000000    0.000000
   36.858436    0.000037    0.000037    0.000040    0.000000    0.000000    0.000000
   37.516623    0.000037    0.000037    0.000041    0.000000    0.000000    0.000000
   38.174809    0.000038    0.000038    0.000042    0.000000    0.000000    0.000000
   38.832995    0.000039    0.000039    0.000043    0.000000    0.000000    0.000000
   39.491182    0.000041    0.000041    0.000045    0.000000    0.000000    0.000000
   40.149368    0.000043    0.000043    0.000048    0.000000    0.000000    0.000000
   40.807554    0.000046    0.000046    0.000051    0.000000    0.000000    0.000000
   41.465741    0.000050    0.000050    0.000055    0.000000    0.000000    0.000000
   42.123927    0.000055    0.000055    0.000061    0.000000    0.000000    0.000000
   42.782113    0.000061    0.000061    0.000068    0.000000    0.000000    0.000000
   43.440300    0.000070    0.000070    0.000077    0.000000    0.000000    0.000000
   44.098486    0.000082    0.000082    0.000090    0.000000    0.000000    0.000000
   44.756672    0.000098    0.000098    0.000108    0.000000    0.000000    0.000000
   45.414859    0.000123    0.000123    0.000135    0.000000    0.000000    0.000000
   46.073045    0.000164    0.000164    0.000177    0.000000    0.000000    0.000000
   46.731232    0.000240    0.000240    0.000254    0.000000    0.000000    0.000000
   47.389418    0.000427    0.000427    0.000437    0.000000    0.000000    0.000000
   48.047604    0.001837    0.001837    0.001941    0.000000    0.000000    0.000000
   48.705791    0.011247    0.011247    0.008669    0.000000    0.000000    0.000000
   49.363977    0.011453    0.011453    0.012569    0.000000    0.000000    0.000000
   50.022163    0.016704    0.016704    0.019153    0.000000    0.000000    0.000000
   50.680350    0.014125    0.014125    0.018328    0.000000    0.000000    0.000000
   51.338536    0.011624    0.011624    0.017110    0.000000    0.000000    0.000000
   51.996722    0.018975    0.018975    0.018004    0.000000    0.000000    0.000000
   52.654909    0.015356    0.015356    0.018295    0.000000    0.000000    0.000000
   53.313095    0.007810    0.007810    0.011049    0.000000    0.000000    0.000000
   53.971281    0.004025    0.004025    0.006036    0.000000    0.000000    0.000000
   54.629468    0.001311    0.001311    0.001851    0.000000    0.000000    0.000000
   55.287654    0.000256    0.000256    0.000320    0.000000    0.000000    0.000000
   55.945841    0.000142    0.000142    0.000175    0.000000    0.000000    0.000000
   56.604027    0.000095    0.000095    0.000116    0.000000    0.000000    0.000000
   57.262213    0.000069    0.000069    0.000083    0.000000    0.000000    0.000000
   57.920400    0.000052    0.000052    0.000063    0.000000    0.000000    0.000000
   58.578586    0.000041    0.000041    0.000049    0.000000    0.000000    0.000000
   59.236772    0.000033    0.000033    0.000040    0.000000    0.000000    0.000000
   59.894959    0.000027    0.000027    0.000033    0.000000    0.000000    0.000000
   60.553145    0.000023    0.000023    0.000027    0.000000    0.000000    0.000000
   61.211331    0.000019    0.000019    0.000023    0.000000    0.000000    0.000000
   61.869518    0.000017    0.000017    0.000020    0.000000    0.000000    0.000000
   62.527704    0.000014    0.000014    0.000017    0.000000    0.000000    0.000000
   63.185891    0.000013    0.000013    0.000015    0.000000    0.000000    0.000000
   63.844077    0.000011    0.000011    0.000013    0.000000    0.000000    0.000000
   64.502263    0.000010    0.000010    0.000012    0.000000    0.000000    0.000000
   65.160450    0.000009    0.000009    0.000010    0.000000    0.000000    0.000000

  frequency dependent      REAL DIELECTRIC FUNCTION (independent particle, no local field effects) current-current (2nd set in vasprun.xml)
     E(ev)        X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------------------------------------
    0.000000   17.604780   17.604780   18.951656    0.000000    0.000000    0.000000
    0.658186   19.041675   19.041675   20.886293    0.000000    0.000000    0.000000
    1.316373   21.281147   21.281147   22.357517    0.000000    0.000000    0.000000
    1.974559   26.201583   26.201583   27.522111    0.000000    0.000000    0.000000
    2.632745   15.094599   15.094599   -4.317169    0.000000   -0.000000   -0.000000
    3.290932    0.019226    0.019226   -1.870186   -0.000000   -0.000000   -0.000000
    3.949118  -13.828509  -13.828509   -7.769528   -0.000000   -0.000000   -0.000000
    4.607305   -8.968109   -8.968109   -8.369746   -0.000000   -0.000000   -0.000000
    5.265491   -7.963399   -7.963399   -6.626209   -0.000000   -0.000000   -0.000000
    5.923677   -5.948604   -5.948604   -5.025684   -0.000000   -0.000000   -0.000000
    6.581864   -4.388489   -4.388489   -3.999891   -0.000000   -0.000000   -0.000000
    7.240050   -3.698044   -3.698044   -3.359882   -0.000000   -0.000000   -0.000000
    7.898236   -2.562189   -2.562189   -2.554845   -0.000000   -0.000000   -0.000000
    8.556423   -1.936671   -1.936671   -1.875555   -0.000000   -0.000000   -0.000000
    9.214609   -1.511364   -1.511364   -1.450777   -0.000000   -0.000000   -0.000000
    9.872795   -1.147009   -1.147009   -1.128393   -0.000000   -0.000000   -0.000000
   10.530982   -0.849130   -0.849130   -0.849676   -0.000000   -0.000000   -0.000000
   11.189168   -0.649690   -0.649690   -0.613111   -0.000000   -0.000000   -0.000000
   11.847354   -0.472823   -0.472823   -0.443799   -0.000000   -0.000000   -0.000000
   12.505541   -0.376549   -0.376549   -0.329984   -0.000000   -0.000000   -0.000000
   13.163727   -0.269259   -0.269259   -0.218960   -0.000000   -0.000000   -0.000000
   13.821914   -0.157211   -0.157211   -0.118549   -0.000000   -0.000000   -0.000000
   14.480100   -0.037535   -0.037535   -0.004070   -0.000000   -0.000000   -0.000000
   15.138286    0.079190    0.079190    0.099386   -0.000000   -0.000000   -0.000000
   15.796473    0.170359    0.170359    0.184962   -0.000000   -0.000000   -0.000000
   16.454659    0.248625    0.248625    0.265392   -0.000000   -0.000000   -0.000000
   17.112845    0.316662    0.316662    0.333266   -0.000000   -0.000000   -0.000000
   17.771032    0.374039    0.374039    0.390129   -0.000000   -0.000000   -0.000000
   18.429218    0.423547    0.423547    0.438874   -0.000000   -0.000000   -0.000000
   19.087404    0.466897    0.466897    0.481403   -0.000000   -0.000000   -0.000000
   19.745591    0.505224    0.505224    0.518923   -0.000000   -0.000000   -0.000000
   20.403777    0.539354    0.539354    0.552285   -0.000000   -0.000000   -0.000000
   21.061964    0.569928    0.569928    0.582138   -0.000000   -0.000000   -0.000000
   21.720150    0.597453    0.597453    0.608992   -0.000000   -0.000000   -0.000000
   22.378336    0.622343    0.622343    0.633259   -0.000000   -0.000000   -0.000000
   23.036523    0.644938    0.644938    0.655277   -0.000000   -0.000000   -0.000000
   23.694709    0.665523    0.665523    0.675328   -0.000000   -0.000000   -0.000000
   24.352895    0.684338    0.684338    0.693647   -0.000000   -0.000000   -0.000000
   25.011082    0.701585    0.701585    0.710436   -0.000000   -0.000000   -0.000000
   25.669268    0.717440    0.717440    0.725865   -0.000000   -0.000000   -0.000000
   26.327454    0.732052    0.732052    0.740081   -0.000000   -0.000000   -0.000000
   26.985641    0.745550    0.745550    0.753213   -0.000000   -0.000000   -0.000000
   27.643827    0.758049    0.758049    0.765369   -0.000000   -0.000000   -0.000000
   28.302013    0.769646    0.769646    0.776648   -0.000000   -0.000000   -0.000000
   28.960200    0.780429    0.780429    0.787133   -0.000000   -0.000000   -0.000000
   29.618386    0.790473    0.790473    0.796899   -0.000000   -0.000000   -0.000000
   30.276573    0.799846    0.799846    0.806013   -0.000000   -0.000000   -0.000000
   30.934759    0.808608    0.808608    0.814533   -0.000000   -0.000000   -0.000000
   31.592945    0.816813    0.816813    0.822510   -0.000000   -0.000000   -0.000000
   32.251132    0.824509    0.824509    0.829993   -0.000000   -0.000000   -0.000000
   32.909318    0.831737    0.831737    0.837021   -0.000000   -0.000000   -0.000000
   33.567504    0.838537    0.838537    0.843634   -0.000000   -0.000000   -0.000000
   34.225691    0.844944    0.844944    0.849865   -0.000000   -0.000000   -0.000000
   34.883877    0.850989    0.850989    0.855745   -0.000000   -0.000000   -0.000000
   35.542063    0.856699    0.856699    0.861301   -0.000000   -0.000000   -0.000000
   36.200250    0.862103    0.862103    0.866558   -0.000000   -0.000000   -0.000000
   36.858436    0.867222    0.867222    0.871542   -0.000000   -0.000000   -0.000000
   37.516623    0.872080    0.872080    0.876272   -0.000000   -0.000000   -0.000000
   38.174809    0.876696    0.876696    0.880769   -0.000000   -0.000000   -0.000000
   38.832995    0.881090    0.881090    0.885051   -0.000000   -0.000000   -0.000000
   39.491182    0.885279    0.885279    0.889136   -0.000000   -0.000000   -0.000000
   40.149368    0.889280    0.889280    0.893041   -0.000000   -0.000000   -0.000000
   40.807554    0.893110    0.893110    0.896782   -0.000000   -0.000000   -0.000000
   41.465741    0.896786    0.896786    0.900376   -0.000000   -0.000000   -0.000000
   42.123927    0.900323    0.900323    0.903840   -0.000000   -0.000000   -0.000000
   42.782113    0.903740    0.903740    0.907191   -0.000000   -0.000000   -0.000000
   43.440300    0.907057    0.907057    0.910451   -0.000000   -0.000000   -0.000000
   44.098486    0.910299    0.910299    0.913644   -0.000000   -0.000000   -0.000000
   44.756672    0.913497    0.913497    0.916805   -0.000000   -0.000000   -0.000000
   45.414859    0.916700    0.916700    0.919980   -0.000000   -0.000000   -0.000000
   46.073045    0.919984    0.919984    0.923249   -0.000000   -0.000000   -0.000000
   46.731232    0.923504    0.923504    0.926764   -0.000000   -0.000000   -0.000000
   47.389418    0.927660    0.927660    0.930910   -0.000000   -0.000000   -0.000000
   48.047604    0.934158    0.934158    0.937069   -0.000000   -0.000000   -0.000000
   48.705791    0.935291    0.935291    0.940869   -0.000000   -0.000000   -0.000000
   49.363977    0.931485    0.931485    0.939416   -0.000000   -0.000000   -0.000000
   50.022163    0.933141    0.933141    0.934033   -0.000000   -0.000000   -0.000000
   50.680350    0.929684    0.929684    0.934879   -0.000000   -0.000000   -0.000000
   51.338536    0.932311    0.932311    0.931573   -0.000000   -0.000000   -0.000000
   51.996722    0.930913    0.930913    0.934051   -0.000000   -0.000000   -0.000000
   52.654909    0.925118    0.925118    0.926058   -0.000000   -0.000000   -0.000000
   53.313095    0.925240    0.925240    0.922489   -0.000000   -0.000000   -0.000000
   53.971281    0.924262    0.924262    0.923150   -0.000000   -0.000000   -0.000000
   54.629468    0.929941    0.929941    0.929574   -0.000000   -0.000000   -0.000000
   55.287654    0.933761    0.933761    0.934115   -0.000000   -0.000000   -0.000000
   55.945841    0.936527    0.936527    0.937167   -0.000000   -0.000000   -0.000000
   56.604027    0.938744    0.938744    0.939541   -0.000000   -0.000000   -0.000000
   57.262213    0.940667    0.940667    0.941560   -0.000000   -0.000000   -0.000000
   57.920400    0.942397    0.942397    0.943351   -0.000000   -0.000000   -0.000000
   58.578586    0.943985    0.943985    0.944980   -0.000000   -0.000000   -0.000000
   59.236772    0.945463    0.945463    0.946484   -0.000000   -0.000000   -0.000000
   59.894959    0.946851    0.946851    0.947888   -0.000000   -0.000000   -0.000000
   60.553145    0.948163    0.948163    0.949209   -0.000000   -0.000000   -0.000000
   61.211331    0.949409    0.949409    0.950458   -0.000000   -0.000000   -0.000000
   61.869518    0.950597    0.950597    0.951646   -0.000000   -0.000000   -0.000000
   62.527704    0.951732    0.951732    0.952778   -0.000000   -0.000000   -0.000000
   63.185891    0.952820    0.952820    0.953860   -0.000000   -0.000000   -0.000000
   63.844077    0.953865    0.953865    0.954897   -0.000000   -0.000000   -0.000000
   64.502263    0.954870    0.954870    0.955893   -0.000000   -0.000000   -0.000000
   65.160450    0.955837    0.955837    0.956850   -0.000000   -0.000000   -0.000000

 The outermost node in the dielectric function lies at epsilon=  14.7


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


    OPTICS:  cpu time   41.5600: real time   45.5136
    4ORBIT:  cpu time    0.0000: real time    0.0000

 total amount of memory used by VASP MPI-rank0   625816. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :     276151. kBytes
   fftplans  :      14253. kBytes
   grid      :      14538. kBytes
   one-center:        186. kBytes
   wavefun   :     290688. kBytes

  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):     1873.028
                            User time (sec):     1857.092
                          System time (sec):       15.936
                         Elapsed time (sec):     2328.241
  
                   Maximum memory used (kb):     1430508.
                   Average memory used (kb):           0.
  
                          Minor page faults:       628986
                          Major page faults:           23
                 Voluntary context switches:          672
