 vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Jul 11 2022 12:07:16) complex          
  
 executed on             LinuxIFC date 2023.12.17  12:05:06
 running on    6 total cores
 distrk:  each k-point on    6 cores,    1 groups
 distr:  one band on NCORES_PER_BAND=   6 cores,    1 groups


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


 INCAR:
 POTCAR:    PAW_PBE Cd 06Sep2000                  
 POTCAR:    PAW_PBE Mg_pv 13Apr2007               

 ----------------------------------------------------------------------------- 
|                                                                             |
|           W    W    AA    RRRRR   N    N  II  N    N   GGGG   !!!           |
|           W    W   A  A   R    R  NN   N  II  NN   N  G    G  !!!           |
|           W    W  A    A  R    R  N N  N  II  N N  N  G       !!!           |
|           W WW W  AAAAAA  RRRRR   N  N N  II  N  N N  G  GGG   !            |
|           WW  WW  A    A  R   R   N   NN  II  N   NN  G    G                |
|           W    W  A    A  R    R  N    N  II  N    N   GGGG   !!!           |
|                                                                             |
|      For optimal performance we recommend to set                            |
|        NCORE= 4 - approx SQRT( number of cores)                             |
|      NCORE specifies how many cores store one orbital (NPAR=cpu/NCORE).     |
|      This setting can  greatly improve the performance of VASP for DFT.     |
|      The default,   NCORE=1            might be grossly inefficient         |
|      on modern multi-core architectures or massively parallel machines.     |
|      Do your own testing !!!!                                               |
|      Unfortunately you need to use the default for GW and RPA calculations. |
|      (for HF NCORE is supported but not extensively tested yet)             |
|                                                                             |
 ----------------------------------------------------------------------------- 

 POTCAR:    PAW_PBE Cd 06Sep2000                  
   SHA256 =  8b7ca71966beae5276c8bb910adb3ecc013a3354c27473914c94cd54c83be4f7 Cd
   COPYR  = (c) Copyright 06Sep2000 Georg Kresse                                
   COPYR  = This file is part of the software VASP. Any use, copying, and all ot
   COPYR  = If you do not have a valid VASP license, you may not use, copy or di
   VRHFIN =Cd : s2 d10                                                          
   LEXCH  = PE                                                                  
   EATOM  =  1293.1815 eV,   95.0462 Ry                                         
                                                                                
   TITEL  = PAW_PBE Cd 06Sep2000                                                
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    2.000    partial core radius                                     
   POMASS =  112.411; ZVAL   =   12.000    mass and valenz                      
   RCORE  =    2.300    outmost cutoff radius                                   
   RWIGS  =    2.980; RWIGS  =    1.577    wigner-seitz radius (au A)           
   ENMAX  =  274.336; ENMIN  =  205.752 eV                                      
   RCLOC  =    2.054    cutoff for local pot                                    
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  456.106                                                            
   DEXC   =    0.000                                                            
   RMAX   =    2.358    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.450    radius for radial grids                                 
   RDEPT  =    1.955    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
   12 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50    -26519.7817   2.0000                                         
     2  0  0.50     -3936.9612   2.0000                                         
     2  1  1.50     -3532.2230   6.0000                                         
     3  0  0.50      -733.7908   2.0000                                         
     3  1  1.50      -601.0792   6.0000                                         
     3  2  2.50      -393.5307  10.0000                                         
     4  0  0.50      -105.8977   2.0000                                         
     4  1  1.50       -66.9488   6.0000                                         
     4  2  2.50       -11.7331  10.0000                                         
     5  0  0.50        -5.6592   2.0000                                         
     5  1  0.50        -1.3606   0.0000                                         
     4  3  2.50        -1.3606   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     2    -11.7331479     23  2.300                                             
     2    -13.0937305     23  2.300                                             
     0     -5.6591502     23  2.300                                             
     0     -1.5561433     23  2.300                                             
     1     -2.7211652     23  2.300                                             
     1      8.3548275     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 Mg_pv 13Apr2007               
   SHA256 =  f474ac0dd33840b9ae76c01d57fea79fdf77cdfbb07d5ade72c65f83c709b62b Mg
   COPYR  = (c) Copyright 13Apr2007 Georg Kresse                                
   COPYR  = This file is part of the software VASP. Any use, copying, and all ot
   COPYR  = If you do not have a valid VASP license, you may not use, copy or di
   VRHFIN =Mg: p6s2                                                             
   LEXCH  = PE                                                                  
   EATOM  =  1056.7344 eV,   77.6678 Ry                                         
                                                                                
   TITEL  = PAW_PBE Mg_pv 13Apr2007                                             
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    1.500    partial core radius                                     
   POMASS =   24.305; ZVAL   =    8.000    mass and valenz                      
   RCORE  =    2.000    outmost cutoff radius                                   
   RWIGS  =    2.000; RWIGS  =    1.058    wigner-seitz radius (au A)           
   ENMAX  =  403.929; ENMIN  =  302.947 eV                                      
   RCLOC  =    1.506    cutoff for local pot                                    
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  758.780                                                            
   DEXC   =    0.000                                                            
   RMAX   =    2.045    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.025    radius for radial grids                                 
   RDEPT  =    1.557    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    5 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50     -1259.6230   2.0000                                         
     2  0  0.50       -79.8442   2.0000                                         
     2  1  1.50       -46.6121   6.0000                                         
     3  0  0.50        -4.7055   2.0000                                         
     3  2  1.50        -1.3606   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     1    -46.6121073     23  1.600                                             
     1      2.7211652     23  1.600                                             
     0     -4.7054661     23  2.000                                             
     0     61.2262170     23  2.000                                             
     2     -1.3605826     23  2.000                                             
  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=           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=           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=           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
 
  PAW_PBE Cd 06Sep2000                  :
 energy of atom  1       EATOM=-1293.1815
 kinetic energy error for atom=    0.0058 (will be added to EATOM!!)
  PAW_PBE Mg_pv 13Apr2007               :
 energy of atom  2       EATOM=-1056.7344
 kinetic energy error for atom=    0.0307 (will be added to EATOM!!)
 
 
 POSCAR:                                         
  positions in direct lattice
  velocities in cartesian coordinates
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 


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


 ion  position               nearest neighbor table
   1  0.333  0.667  0.376-   4 3.07   4 3.07   4 3.07   2 3.13   2 3.13   2 3.13
   2  0.667  0.333  0.124-   3 3.07   3 3.07   3 3.07   1 3.13   1 3.13   1 3.13
   3  0.333  0.667  0.878-   2 3.07   2 3.07   2 3.07
   4  0.667  0.333  0.622-   1 3.07   1 3.07   1 3.07
 
  LATTYP: Found a hexagonal cell.
 ALAT       =     3.2314048207
 C/A-ratio  =     3.0713721012
  
  Lattice vectors:
  
 A1 = (   3.2314048166,   0.0000000001,   0.0000000000)
 A2 = (  -1.6157024032,   2.7984786628,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   9.9248466140)


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 D_3d.


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 D_3d.


 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.
 generate k-points for:   25   25    7
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   180.000000     0.500000    -0.866025     0.000000     0.000000     0.000000     0.000000
    6    -1.000000   180.000000    -0.500000    -0.866025     0.000000     0.000000     0.000000     0.000000
    7    -1.000000     0.000001     1.000000     0.000000     0.000000     0.000000     0.000000     0.500000
    8    -1.000000   120.000000     0.000000     0.000000    -1.000000     0.000000     0.000000     0.500000
    9    -1.000000   120.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.500000
   10     1.000000   180.000000     1.000000    -0.000000     0.000000     0.000000     0.000000     0.500000
   11     1.000000   180.000000     0.500000    -0.866025     0.000000     0.000000     0.000000     0.500000
   12     1.000000   180.000000    -0.500000    -0.866025     0.000000     0.000000     0.000000     0.500000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    416 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.040000  0.000000  0.000000      6.000000
  0.080000  0.000000  0.000000      6.000000
  0.120000  0.000000  0.000000      6.000000
  0.160000  0.000000  0.000000      6.000000
  0.200000  0.000000  0.000000      6.000000
  0.240000  0.000000  0.000000      6.000000
  0.280000  0.000000  0.000000      6.000000
  0.320000  0.000000  0.000000      6.000000
  0.360000  0.000000  0.000000      6.000000
  0.400000  0.000000  0.000000      6.000000
  0.440000 -0.000000  0.000000      6.000000
  0.480000  0.000000  0.000000      6.000000
  0.040000  0.040000  0.000000      6.000000
  0.080000  0.040000  0.000000     12.000000
  0.120000  0.040000  0.000000     12.000000
  0.160000  0.040000  0.000000     12.000000
  0.200000  0.040000  0.000000     12.000000
  0.240000  0.040000  0.000000     12.000000
  0.280000  0.040000  0.000000     12.000000
  0.320000  0.040000  0.000000     12.000000
  0.360000  0.040000  0.000000     12.000000
  0.400000  0.040000  0.000000     12.000000
  0.440000  0.040000  0.000000     12.000000
  0.480000  0.040000  0.000000      6.000000
  0.080000  0.080000  0.000000      6.000000
  0.120000  0.080000  0.000000     12.000000
  0.160000  0.080000  0.000000     12.000000
  0.200000  0.080000  0.000000     12.000000
  0.240000  0.080000  0.000000     12.000000
  0.280000  0.080000  0.000000     12.000000
  0.320000  0.080000  0.000000     12.000000
  0.360000  0.080000  0.000000     12.000000
  0.400000  0.080000  0.000000     12.000000
  0.440000  0.080000  0.000000     12.000000
  0.120000  0.120000  0.000000      6.000000
  0.160000  0.120000  0.000000     12.000000
  0.200000  0.120000  0.000000     12.000000
  0.240000  0.120000  0.000000     12.000000
  0.280000  0.120000  0.000000     12.000000
  0.320000  0.120000  0.000000     12.000000
  0.360000  0.120000  0.000000     12.000000
  0.400000  0.120000  0.000000     12.000000
  0.440000  0.120000  0.000000      6.000000
  0.160000  0.160000  0.000000      6.000000
  0.200000  0.160000  0.000000     12.000000
  0.240000  0.160000  0.000000     12.000000
  0.280000  0.160000  0.000000     12.000000
  0.320000  0.160000  0.000000     12.000000
  0.360000  0.160000  0.000000     12.000000
  0.400000  0.160000  0.000000     12.000000
  0.200000  0.200000  0.000000      6.000000
  0.240000  0.200000  0.000000     12.000000
  0.280000  0.200000  0.000000     12.000000
  0.320000  0.200000  0.000000     12.000000
  0.360000  0.200000  0.000000     12.000000
  0.400000  0.200000  0.000000      6.000000
  0.240000  0.240000  0.000000      6.000000
  0.280000  0.240000  0.000000     12.000000
  0.320000  0.240000  0.000000     12.000000
  0.360000  0.240000  0.000000     12.000000
  0.280000  0.280000  0.000000      6.000000
  0.320000  0.280000  0.000000     12.000000
  0.360000  0.280000  0.000000      6.000000
  0.320000  0.320000  0.000000      6.000000
  0.000000  0.000000  0.142857      2.000000
  0.040000  0.000000  0.142857      6.000000
  0.080000  0.000000  0.142857      6.000000
  0.120000  0.000000  0.142857      6.000000
  0.160000  0.000000  0.142857      6.000000
  0.200000  0.000000  0.142857      6.000000
  0.240000  0.000000  0.142857      6.000000
  0.280000  0.000000  0.142857      6.000000
  0.320000  0.000000  0.142857      6.000000
  0.360000  0.000000  0.142857      6.000000
  0.400000  0.000000  0.142857      6.000000
  0.440000 -0.000000  0.142857      6.000000
  0.480000  0.000000  0.142857      6.000000
 -0.480000 -0.000000  0.142857      6.000000
 -0.440000  0.000000  0.142857      6.000000
 -0.400000 -0.000000  0.142857      6.000000
 -0.360000 -0.000000  0.142857      6.000000
 -0.320000  0.000000  0.142857      6.000000
 -0.280000  0.000000  0.142857      6.000000
 -0.240000 -0.000000  0.142857      6.000000
 -0.200000 -0.000000  0.142857      6.000000
 -0.160000  0.000000  0.142857      6.000000
 -0.120000 -0.000000  0.142857      6.000000
 -0.080000  0.000000  0.142857      6.000000
 -0.040000  0.000000  0.142857      6.000000
  0.040000  0.040000  0.142857     12.000000
  0.080000  0.040000  0.142857     12.000000
  0.120000  0.040000  0.142857     12.000000
  0.160000  0.040000  0.142857     12.000000
  0.200000  0.040000  0.142857     12.000000
  0.240000  0.040000  0.142857     12.000000
  0.280000  0.040000  0.142857     12.000000
  0.320000  0.040000  0.142857     12.000000
  0.360000  0.040000  0.142857     12.000000
  0.400000  0.040000  0.142857     12.000000
  0.440000  0.040000  0.142857     12.000000
  0.480000  0.040000  0.142857     12.000000
 -0.480000  0.040000  0.142857     12.000000
 -0.440000  0.040000  0.142857     12.000000
 -0.400000  0.040000  0.142857     12.000000
 -0.360000  0.040000  0.142857     12.000000
 -0.320000  0.040000  0.142857     12.000000
 -0.280000  0.040000  0.142857     12.000000
 -0.240000  0.040000  0.142857     12.000000
 -0.200000  0.040000  0.142857     12.000000
 -0.160000  0.040000  0.142857     12.000000
 -0.120000  0.040000  0.142857     12.000000
  0.080000  0.080000  0.142857     12.000000
  0.120000  0.080000  0.142857     12.000000
  0.160000  0.080000  0.142857     12.000000
  0.200000  0.080000  0.142857     12.000000
  0.240000  0.080000  0.142857     12.000000
  0.280000  0.080000  0.142857     12.000000
  0.320000  0.080000  0.142857     12.000000
  0.360000  0.080000  0.142857     12.000000
  0.400000  0.080000  0.142857     12.000000
  0.440000  0.080000  0.142857     12.000000
  0.480000  0.080000  0.142857     12.000000
 -0.480000  0.080000  0.142857     12.000000
 -0.440000  0.080000  0.142857     12.000000
 -0.400000  0.080000  0.142857     12.000000
 -0.360000  0.080000  0.142857     12.000000
 -0.320000  0.080000  0.142857     12.000000
 -0.280000  0.080000  0.142857     12.000000
 -0.240000  0.080000  0.142857     12.000000
 -0.200000  0.080000  0.142857     12.000000
  0.120000  0.120000  0.142857     12.000000
  0.160000  0.120000  0.142857     12.000000
  0.200000  0.120000  0.142857     12.000000
  0.240000  0.120000  0.142857     12.000000
  0.280000  0.120000  0.142857     12.000000
  0.320000  0.120000  0.142857     12.000000
  0.360000  0.120000  0.142857     12.000000
  0.400000  0.120000  0.142857     12.000000
  0.440000  0.120000  0.142857     12.000000
  0.480000  0.120000  0.142857     12.000000
 -0.480000  0.120000  0.142857     12.000000
 -0.440000  0.120000  0.142857     12.000000
 -0.400000  0.120000  0.142857     12.000000
 -0.360000  0.120000  0.142857     12.000000
 -0.320000  0.120000  0.142857     12.000000
 -0.280000  0.120000  0.142857     12.000000
  0.160000  0.160000  0.142857     12.000000
  0.200000  0.160000  0.142857     12.000000
  0.240000  0.160000  0.142857     12.000000
  0.280000  0.160000  0.142857     12.000000
  0.320000  0.160000  0.142857     12.000000
  0.360000  0.160000  0.142857     12.000000
  0.400000  0.160000  0.142857     12.000000
  0.440000  0.160000  0.142857     12.000000
  0.480000  0.160000  0.142857     12.000000
 -0.480000  0.160000  0.142857     12.000000
 -0.440000  0.160000  0.142857     12.000000
 -0.400000  0.160000  0.142857     12.000000
 -0.360000  0.160000  0.142857     12.000000
  0.200000  0.200000  0.142857     12.000000
  0.240000  0.200000  0.142857     12.000000
  0.280000  0.200000  0.142857     12.000000
  0.320000  0.200000  0.142857     12.000000
  0.360000  0.200000  0.142857     12.000000
  0.400000  0.200000  0.142857     12.000000
  0.440000  0.200000  0.142857     12.000000
  0.480000  0.200000  0.142857     12.000000
 -0.480000  0.200000  0.142857     12.000000
 -0.440000  0.200000  0.142857     12.000000
  0.240000  0.240000  0.142857     12.000000
  0.280000  0.240000  0.142857     12.000000
  0.320000  0.240000  0.142857     12.000000
  0.360000  0.240000  0.142857     12.000000
  0.400000  0.240000  0.142857     12.000000
  0.440000  0.240000  0.142857     12.000000
  0.480000  0.240000  0.142857     12.000000
  0.280000  0.280000  0.142857     12.000000
  0.320000  0.280000  0.142857     12.000000
  0.360000  0.280000  0.142857     12.000000
  0.400000  0.280000  0.142857     12.000000
  0.320000  0.320000  0.142857     12.000000
  0.000000  0.000000  0.285714      2.000000
  0.040000  0.000000  0.285714      6.000000
  0.080000  0.000000  0.285714      6.000000
  0.120000  0.000000  0.285714      6.000000
  0.160000  0.000000  0.285714      6.000000
  0.200000  0.000000  0.285714      6.000000
  0.240000  0.000000  0.285714      6.000000
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  0.148542  0.142935  0.014394     12.000000
 -0.148542 -0.028587  0.014394     12.000000
 -0.136164 -0.021440  0.014394     12.000000
 -0.123785 -0.014293  0.014394     12.000000
 -0.111407 -0.007147  0.014394     12.000000
  0.061893  0.107201  0.014394     12.000000
  0.074271  0.114348  0.014394     12.000000
  0.086650  0.121495  0.014394     12.000000
  0.099028  0.128641  0.014394     12.000000
  0.111407  0.135788  0.014394     12.000000
  0.123785  0.142935  0.014394     12.000000
  0.136164  0.150082  0.014394     12.000000
  0.148542  0.157228  0.014394     12.000000
 -0.148542 -0.014293  0.014394     12.000000
 -0.136164 -0.007147  0.014394     12.000000
  0.074271  0.128641  0.014394     12.000000
  0.086650  0.135788  0.014394     12.000000
  0.099028  0.142935  0.014394     12.000000
  0.111407  0.150082  0.014394     12.000000
  0.123785  0.157228  0.014394     12.000000
  0.136164  0.164375  0.014394     12.000000
  0.148542  0.171522  0.014394     12.000000
  0.086650  0.150082  0.014394     12.000000
  0.099028  0.157228  0.014394     12.000000
  0.111407  0.164375  0.014394     12.000000
  0.123785  0.171522  0.014394     12.000000
  0.099028  0.171522  0.014394     12.000000
  0.000000  0.000000  0.028788      2.000000
  0.012379  0.007147  0.028788      6.000000
  0.024757  0.014293  0.028788      6.000000
  0.037136  0.021440  0.028788      6.000000
  0.049514  0.028587  0.028788      6.000000
  0.061893  0.035734  0.028788      6.000000
  0.074271  0.042880  0.028788      6.000000
  0.086650  0.050027  0.028788      6.000000
  0.099028  0.057174  0.028788      6.000000
  0.111407  0.064321  0.028788      6.000000
  0.123785  0.071467  0.028788      6.000000
  0.136164  0.078614  0.028788      6.000000
  0.148542  0.085761  0.028788      6.000000
 -0.148542 -0.085761  0.028788      6.000000
 -0.136164 -0.078614  0.028788      6.000000
 -0.123785 -0.071467  0.028788      6.000000
 -0.111407 -0.064321  0.028788      6.000000
 -0.099028 -0.057174  0.028788      6.000000
 -0.086650 -0.050027  0.028788      6.000000
 -0.074271 -0.042880  0.028788      6.000000
 -0.061893 -0.035734  0.028788      6.000000
 -0.049514 -0.028587  0.028788      6.000000
 -0.037136 -0.021440  0.028788      6.000000
 -0.024757 -0.014293  0.028788      6.000000
 -0.012379 -0.007147  0.028788      6.000000
  0.012379  0.021440  0.028788     12.000000
  0.024757  0.028587  0.028788     12.000000
  0.037136  0.035734  0.028788     12.000000
  0.049514  0.042880  0.028788     12.000000
  0.061893  0.050027  0.028788     12.000000
  0.074271  0.057174  0.028788     12.000000
  0.086650  0.064321  0.028788     12.000000
  0.099028  0.071467  0.028788     12.000000
  0.111407  0.078614  0.028788     12.000000
  0.123785  0.085761  0.028788     12.000000
  0.136164  0.092908  0.028788     12.000000
  0.148542  0.100054  0.028788     12.000000
 -0.148542 -0.071467  0.028788     12.000000
 -0.136164 -0.064321  0.028788     12.000000
 -0.123785 -0.057174  0.028788     12.000000
 -0.111407 -0.050027  0.028788     12.000000
 -0.099028 -0.042880  0.028788     12.000000
 -0.086650 -0.035734  0.028788     12.000000
 -0.074271 -0.028587  0.028788     12.000000
 -0.061893 -0.021440  0.028788     12.000000
 -0.049514 -0.014293  0.028788     12.000000
 -0.037136 -0.007147  0.028788     12.000000
  0.024757  0.042880  0.028788     12.000000
  0.037136  0.050027  0.028788     12.000000
  0.049514  0.057174  0.028788     12.000000
  0.061893  0.064321  0.028788     12.000000
  0.074271  0.071467  0.028788     12.000000
  0.086650  0.078614  0.028788     12.000000
  0.099028  0.085761  0.028788     12.000000
  0.111407  0.092908  0.028788     12.000000
  0.123785  0.100054  0.028788     12.000000
  0.136164  0.107201  0.028788     12.000000
  0.148542  0.114348  0.028788     12.000000
 -0.148542 -0.057174  0.028788     12.000000
 -0.136164 -0.050027  0.028788     12.000000
 -0.123785 -0.042880  0.028788     12.000000
 -0.111407 -0.035734  0.028788     12.000000
 -0.099028 -0.028587  0.028788     12.000000
 -0.086650 -0.021440  0.028788     12.000000
 -0.074271 -0.014293  0.028788     12.000000
 -0.061893 -0.007147  0.028788     12.000000
  0.037136  0.064321  0.028788     12.000000
  0.049514  0.071467  0.028788     12.000000
  0.061893  0.078614  0.028788     12.000000
  0.074271  0.085761  0.028788     12.000000
  0.086650  0.092908  0.028788     12.000000
  0.099028  0.100054  0.028788     12.000000
  0.111407  0.107201  0.028788     12.000000
  0.123785  0.114348  0.028788     12.000000
  0.136164  0.121495  0.028788     12.000000
  0.148542  0.128641  0.028788     12.000000
 -0.148542 -0.042880  0.028788     12.000000
 -0.136164 -0.035734  0.028788     12.000000
 -0.123785 -0.028587  0.028788     12.000000
 -0.111407 -0.021440  0.028788     12.000000
 -0.099028 -0.014293  0.028788     12.000000
 -0.086650 -0.007147  0.028788     12.000000
  0.049514  0.085761  0.028788     12.000000
  0.061893  0.092908  0.028788     12.000000
  0.074271  0.100054  0.028788     12.000000
  0.086650  0.107201  0.028788     12.000000
  0.099028  0.114348  0.028788     12.000000
  0.111407  0.121495  0.028788     12.000000
  0.123785  0.128641  0.028788     12.000000
  0.136164  0.135788  0.028788     12.000000
  0.148542  0.142935  0.028788     12.000000
 -0.148542 -0.028587  0.028788     12.000000
 -0.136164 -0.021440  0.028788     12.000000
 -0.123785 -0.014293  0.028788     12.000000
 -0.111407 -0.007147  0.028788     12.000000
  0.061893  0.107201  0.028788     12.000000
  0.074271  0.114348  0.028788     12.000000
  0.086650  0.121495  0.028788     12.000000
  0.099028  0.128641  0.028788     12.000000
  0.111407  0.135788  0.028788     12.000000
  0.123785  0.142935  0.028788     12.000000
  0.136164  0.150082  0.028788     12.000000
  0.148542  0.157228  0.028788     12.000000
 -0.148542 -0.014293  0.028788     12.000000
 -0.136164 -0.007147  0.028788     12.000000
  0.074271  0.128641  0.028788     12.000000
  0.086650  0.135788  0.028788     12.000000
  0.099028  0.142935  0.028788     12.000000
  0.111407  0.150082  0.028788     12.000000
  0.123785  0.157228  0.028788     12.000000
  0.136164  0.164375  0.028788     12.000000
  0.148542  0.171522  0.028788     12.000000
  0.086650  0.150082  0.028788     12.000000
  0.099028  0.157228  0.028788     12.000000
  0.111407  0.164375  0.028788     12.000000
  0.123785  0.171522  0.028788     12.000000
  0.099028  0.171522  0.028788     12.000000
  0.000000  0.000000  0.043182      2.000000
  0.012379  0.007147  0.043182      6.000000
  0.024757  0.014293  0.043182      6.000000
  0.037136  0.021440  0.043182      6.000000
  0.049514  0.028587  0.043182      6.000000
  0.061893  0.035734  0.043182      6.000000
  0.074271  0.042880  0.043182      6.000000
  0.086650  0.050027  0.043182      6.000000
  0.099028  0.057174  0.043182      6.000000
  0.111407  0.064321  0.043182      6.000000
  0.123785  0.071467  0.043182      6.000000
  0.136164  0.078614  0.043182      6.000000
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 -0.012379 -0.007147  0.043182      6.000000
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  0.111407  0.164375  0.043182     12.000000
  0.123785  0.171522  0.043182     12.000000
  0.099028  0.171522  0.043182     12.000000
 
 TETIRR: Found   6450 inequivalent tetrahedra from    26250


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




 Dimension of arrays:
   k-points           NKPTS =    416   k-points in BZ     NKDIM =    416   number of bands    NBANDS=     24
   number of dos      NEDOS =    301   number of ions     NIONS =      4
   non local maximal  LDIM  =      6   non local SUM 2l+1 LMDIM =     18
   total plane-waves  NPLWV =  62720
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  29748
   dimension x,y,z NGX =    28 NGY =   28 NGZ =   80
   dimension x,y,z NGXF=    56 NGYF=   56 NGZF=  160
   support grid    NGXF=    56 NGYF=   56 NGZF=  160
   ions per type =               2   2
   NGX,Y,Z   is equivalent  to a cutoff of  14.41, 14.41, 13.40 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  28.81, 28.81, 26.80 a.u.

 SYSTEM =  final                                   
 POSCAR =                                          

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

 Electronic Relaxation 1
   ENCUT  =  550.0 eV  40.42 Ry    6.36 a.u.   6.18  6.18 18.98*2*pi/ulx,y,z
   ENINI  =  550.0     initial cutoff
   ENAUG  =  758.8 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  2; NELMDL= -5     # of ELM steps 
   EDIFF  = 0.1E-05   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
 Ionic relaxation
   EDIFFG = 0.1E-04   stopping-criterion for IOM
   NSW    =      0    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      1    inner block; outer block 
   IBRION =     -1    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      0    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      2    stress and relaxation
   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps =****** mass=  -0.239E-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 = 112.41 24.30
  Ionic Valenz
   ZVAL   =  12.00  8.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00 -1.00
  virtual crystal weights 
   VCA    =   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 =    -5;   SIGMA  =   0.20  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     68    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 =  0.10E-07  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      22.44       151.42
  Fermi-wavevector in a.u.,A,eV,Ry     =   1.250496  2.363096 21.275990  1.563741
  Thomas-Fermi vector in A             =   2.384488
 
 Write flags
   LWAVE        =      F    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      F    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =      0    0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes


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

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

 Linear response parameters
   LEPSILON=     F    determine dielectric tensor
   LRPA    =     F    only Hartree local field effects (RPA)
   LNABLA  =     F    use nabla operator in PAW spheres
   LVEL    =     F    velocity operator in full k-point grid
   LINTERFAST=   F  fast interpolation
   KINTER  =     0    interpolate to denser k-point grid
   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
   OMEGAMAX=  -1.0    maximum frequency
   DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
   RTIME   =   -0.100 relaxation time in fs
  (WPLASMAI=    0.000 imaginary part of plasma frequency in eV, 0.658/RTIME)
   DFIELD  = 0.0000000 0.0000000 0.0000000 field for delta impulse in time
 
 Orbital magnetization related:
   ORBITALMAG=     F  switch on orbital magnetization
   LCHIMAG   =     F  perturbation theory with respect to B field
   DQ        =  0.001000  dq finite difference perturbation B field
   LLRAUG    =     F  two centre corrections for induced B field



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


 Static calculation
 charge density and potential will be updated during run
 non-spin polarized calculation
 RMM-DIIS sequential band-by-band and
  variant of blocked Davidson during initial phase
 perform sub-space diagonalisation
    before 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            4
 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)
 Fermi weights with tetrahedron method with Bloechl corrections


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


  energy-cutoff  :      550.00
  volume of cell :       89.75
      direct lattice vectors                 reciprocal lattice vectors
     3.231404817  0.000000000  0.000000000     0.309462929  0.178668505  0.000000000
    -1.615702403  2.798478663  0.000000000    -0.000000000  0.357337011  0.000000000
     0.000000000  0.000000000  9.924846614     0.000000000  0.000000000  0.100757225

  length of vectors
     3.231404817  3.231404816  9.924846614     0.357337011  0.357337011  0.100757225


 
 k-points in units of 2pi/SCALE and weight: Automatic mesh                          
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   0.12378517  0.07146740  0.04318167       0.001
   0.13616369  0.07861414  0.04318167       0.001
   0.14854221  0.08576088  0.04318167       0.001
  -0.14854221 -0.08576088  0.04318167       0.001
  -0.13616369 -0.07861414  0.04318167       0.001
  -0.12378517 -0.07146740  0.04318167       0.001
  -0.11140665 -0.06432066  0.04318167       0.001
  -0.09902814 -0.05717392  0.04318167       0.001
  -0.08664962 -0.05002718  0.04318167       0.001
  -0.07427110 -0.04288044  0.04318167       0.001
  -0.06189259 -0.03573370  0.04318167       0.001
  -0.04951407 -0.02858696  0.04318167       0.001
  -0.03713555 -0.02144022  0.04318167       0.001
  -0.02475703 -0.01429348  0.04318167       0.001
  -0.01237852 -0.00714674  0.04318167       0.001
   0.01237852  0.02144022  0.04318167       0.003
   0.02475703  0.02858696  0.04318167       0.003
   0.03713555  0.03573370  0.04318167       0.003
   0.04951407  0.04288044  0.04318167       0.003
   0.06189259  0.05002718  0.04318167       0.003
   0.07427110  0.05717392  0.04318167       0.003
   0.08664962  0.06432066  0.04318167       0.003
   0.09902814  0.07146740  0.04318167       0.003
   0.11140665  0.07861414  0.04318167       0.003
   0.12378517  0.08576088  0.04318167       0.003
   0.13616369  0.09290762  0.04318167       0.003
   0.14854221  0.10005436  0.04318167       0.003
  -0.14854221 -0.07146740  0.04318167       0.003
  -0.13616369 -0.06432066  0.04318167       0.003
  -0.12378517 -0.05717392  0.04318167       0.003
  -0.11140665 -0.05002718  0.04318167       0.003
  -0.09902814 -0.04288044  0.04318167       0.003
  -0.08664962 -0.03573370  0.04318167       0.003
  -0.07427110 -0.02858696  0.04318167       0.003
  -0.06189259 -0.02144022  0.04318167       0.003
  -0.04951407 -0.01429348  0.04318167       0.003
  -0.03713555 -0.00714674  0.04318167       0.003
   0.02475703  0.04288044  0.04318167       0.003
   0.03713555  0.05002718  0.04318167       0.003
   0.04951407  0.05717392  0.04318167       0.003
   0.06189259  0.06432066  0.04318167       0.003
   0.07427110  0.07146740  0.04318167       0.003
   0.08664962  0.07861414  0.04318167       0.003
   0.09902814  0.08576088  0.04318167       0.003
   0.11140665  0.09290762  0.04318167       0.003
   0.12378517  0.10005436  0.04318167       0.003
   0.13616369  0.10720110  0.04318167       0.003
   0.14854221  0.11434784  0.04318167       0.003
  -0.14854221 -0.05717392  0.04318167       0.003
  -0.13616369 -0.05002718  0.04318167       0.003
  -0.12378517 -0.04288044  0.04318167       0.003
  -0.11140665 -0.03573370  0.04318167       0.003
  -0.09902814 -0.02858696  0.04318167       0.003
  -0.08664962 -0.02144022  0.04318167       0.003
  -0.07427110 -0.01429348  0.04318167       0.003
  -0.06189259 -0.00714674  0.04318167       0.003
   0.03713555  0.06432066  0.04318167       0.003
   0.04951407  0.07146740  0.04318167       0.003
   0.06189259  0.07861414  0.04318167       0.003
   0.07427110  0.08576088  0.04318167       0.003
   0.08664962  0.09290762  0.04318167       0.003
   0.09902814  0.10005436  0.04318167       0.003
   0.11140665  0.10720110  0.04318167       0.003
   0.12378517  0.11434784  0.04318167       0.003
   0.13616369  0.12149458  0.04318167       0.003
   0.14854221  0.12864132  0.04318167       0.003
  -0.14854221 -0.04288044  0.04318167       0.003
  -0.13616369 -0.03573370  0.04318167       0.003
  -0.12378517 -0.02858696  0.04318167       0.003
  -0.11140665 -0.02144022  0.04318167       0.003
  -0.09902814 -0.01429348  0.04318167       0.003
  -0.08664962 -0.00714674  0.04318167       0.003
   0.04951407  0.08576088  0.04318167       0.003
   0.06189259  0.09290762  0.04318167       0.003
   0.07427110  0.10005436  0.04318167       0.003
   0.08664962  0.10720110  0.04318167       0.003
   0.09902814  0.11434784  0.04318167       0.003
   0.11140665  0.12149458  0.04318167       0.003
   0.12378517  0.12864132  0.04318167       0.003
   0.13616369  0.13578806  0.04318167       0.003
   0.14854221  0.14293480  0.04318167       0.003
  -0.14854221 -0.02858696  0.04318167       0.003
  -0.13616369 -0.02144022  0.04318167       0.003
  -0.12378517 -0.01429348  0.04318167       0.003
  -0.11140665 -0.00714674  0.04318167       0.003
   0.06189259  0.10720110  0.04318167       0.003
   0.07427110  0.11434784  0.04318167       0.003
   0.08664962  0.12149458  0.04318167       0.003
   0.09902814  0.12864132  0.04318167       0.003
   0.11140665  0.13578806  0.04318167       0.003
   0.12378517  0.14293480  0.04318167       0.003
   0.13616369  0.15008154  0.04318167       0.003
   0.14854221  0.15722828  0.04318167       0.003
  -0.14854221 -0.01429348  0.04318167       0.003
  -0.13616369 -0.00714674  0.04318167       0.003
   0.07427110  0.12864132  0.04318167       0.003
   0.08664962  0.13578806  0.04318167       0.003
   0.09902814  0.14293480  0.04318167       0.003
   0.11140665  0.15008154  0.04318167       0.003
   0.12378517  0.15722828  0.04318167       0.003
   0.13616369  0.16437502  0.04318167       0.003
   0.14854221  0.17152176  0.04318167       0.003
   0.08664962  0.15008154  0.04318167       0.003
   0.09902814  0.15722828  0.04318167       0.003
   0.11140665  0.16437502  0.04318167       0.003
   0.12378517  0.17152176  0.04318167       0.003
   0.09902814  0.17152176  0.04318167       0.003
 
 k-points in reciprocal lattice and weights: Automatic mesh                          
   0.00000000  0.00000000  0.00000000       0.000
   0.04000000  0.00000000  0.00000000       0.001
   0.08000000  0.00000000  0.00000000       0.001
   0.12000000  0.00000000  0.00000000       0.001
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   0.20000000  0.00000000  0.00000000       0.001
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   0.28000000  0.00000000  0.00000000       0.001
   0.32000000  0.00000000  0.00000000       0.001
   0.36000000  0.00000000  0.00000000       0.001
   0.40000000  0.00000000  0.00000000       0.001
   0.44000000 -0.00000000  0.00000000       0.001
   0.48000000  0.00000000  0.00000000       0.001
   0.04000000  0.04000000  0.00000000       0.001
   0.08000000  0.04000000  0.00000000       0.003
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   0.16000000  0.04000000  0.00000000       0.003
   0.20000000  0.04000000  0.00000000       0.003
   0.24000000  0.04000000  0.00000000       0.003
   0.28000000  0.04000000  0.00000000       0.003
   0.32000000  0.04000000  0.00000000       0.003
   0.36000000  0.04000000  0.00000000       0.003
   0.40000000  0.04000000  0.00000000       0.003
   0.44000000  0.04000000  0.00000000       0.003
   0.48000000  0.04000000  0.00000000       0.001
   0.08000000  0.08000000  0.00000000       0.001
   0.12000000  0.08000000  0.00000000       0.003
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   0.20000000  0.08000000  0.00000000       0.003
   0.24000000  0.08000000  0.00000000       0.003
   0.28000000  0.08000000  0.00000000       0.003
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   0.36000000  0.08000000  0.00000000       0.003
   0.40000000  0.08000000  0.00000000       0.003
   0.44000000  0.08000000  0.00000000       0.003
   0.12000000  0.12000000  0.00000000       0.001
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   0.16000000  0.16000000  0.00000000       0.001
   0.20000000  0.16000000  0.00000000       0.003
   0.24000000  0.16000000  0.00000000       0.003
   0.28000000  0.16000000  0.00000000       0.003
   0.32000000  0.16000000  0.00000000       0.003
   0.36000000  0.16000000  0.00000000       0.003
   0.40000000  0.16000000  0.00000000       0.003
   0.20000000  0.20000000  0.00000000       0.001
   0.24000000  0.20000000  0.00000000       0.003
   0.28000000  0.20000000  0.00000000       0.003
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   0.36000000  0.20000000  0.00000000       0.003
   0.40000000  0.20000000  0.00000000       0.001
   0.24000000  0.24000000  0.00000000       0.001
   0.28000000  0.24000000  0.00000000       0.003
   0.32000000  0.24000000  0.00000000       0.003
   0.36000000  0.24000000  0.00000000       0.003
   0.28000000  0.28000000  0.00000000       0.001
   0.32000000  0.28000000  0.00000000       0.003
   0.36000000  0.28000000  0.00000000       0.001
   0.32000000  0.32000000  0.00000000       0.001
   0.00000000  0.00000000  0.14285714       0.000
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   0.08000000  0.00000000  0.14285714       0.001
   0.12000000  0.00000000  0.14285714       0.001
   0.16000000  0.00000000  0.14285714       0.001
   0.20000000  0.00000000  0.14285714       0.001
   0.24000000  0.00000000  0.14285714       0.001
   0.28000000  0.00000000  0.14285714       0.001
   0.32000000  0.00000000  0.14285714       0.001
   0.36000000  0.00000000  0.14285714       0.001
   0.40000000  0.00000000  0.14285714       0.001
   0.44000000 -0.00000000  0.14285714       0.001
   0.48000000  0.00000000  0.14285714       0.001
  -0.48000000 -0.00000000  0.14285714       0.001
  -0.44000000  0.00000000  0.14285714       0.001
  -0.40000000 -0.00000000  0.14285714       0.001
  -0.36000000 -0.00000000  0.14285714       0.001
  -0.32000000  0.00000000  0.14285714       0.001
  -0.28000000  0.00000000  0.14285714       0.001
  -0.24000000 -0.00000000  0.14285714       0.001
  -0.20000000 -0.00000000  0.14285714       0.001
  -0.16000000  0.00000000  0.14285714       0.001
  -0.12000000 -0.00000000  0.14285714       0.001
  -0.08000000  0.00000000  0.14285714       0.001
  -0.04000000  0.00000000  0.14285714       0.001
   0.04000000  0.04000000  0.14285714       0.003
   0.08000000  0.04000000  0.14285714       0.003
   0.12000000  0.04000000  0.14285714       0.003
   0.16000000  0.04000000  0.14285714       0.003
   0.20000000  0.04000000  0.14285714       0.003
   0.24000000  0.04000000  0.14285714       0.003
   0.28000000  0.04000000  0.14285714       0.003
   0.32000000  0.04000000  0.14285714       0.003
   0.36000000  0.04000000  0.14285714       0.003
   0.40000000  0.04000000  0.14285714       0.003
   0.44000000  0.04000000  0.14285714       0.003
   0.48000000  0.04000000  0.14285714       0.003
  -0.48000000  0.04000000  0.14285714       0.003
  -0.44000000  0.04000000  0.14285714       0.003
  -0.40000000  0.04000000  0.14285714       0.003
  -0.36000000  0.04000000  0.14285714       0.003
  -0.32000000  0.04000000  0.14285714       0.003
  -0.28000000  0.04000000  0.14285714       0.003
  -0.24000000  0.04000000  0.14285714       0.003
  -0.20000000  0.04000000  0.14285714       0.003
  -0.16000000  0.04000000  0.14285714       0.003
  -0.12000000  0.04000000  0.14285714       0.003
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   0.12000000  0.08000000  0.14285714       0.003
   0.16000000  0.08000000  0.14285714       0.003
   0.20000000  0.08000000  0.14285714       0.003
   0.24000000  0.08000000  0.14285714       0.003
   0.28000000  0.08000000  0.14285714       0.003
   0.32000000  0.08000000  0.14285714       0.003
   0.36000000  0.08000000  0.14285714       0.003
   0.40000000  0.08000000  0.14285714       0.003
   0.44000000  0.08000000  0.14285714       0.003
   0.48000000  0.08000000  0.14285714       0.003
  -0.48000000  0.08000000  0.14285714       0.003
  -0.44000000  0.08000000  0.14285714       0.003
  -0.40000000  0.08000000  0.14285714       0.003
  -0.36000000  0.08000000  0.14285714       0.003
  -0.32000000  0.08000000  0.14285714       0.003
  -0.28000000  0.08000000  0.14285714       0.003
  -0.24000000  0.08000000  0.14285714       0.003
  -0.20000000  0.08000000  0.14285714       0.003
   0.12000000  0.12000000  0.14285714       0.003
   0.16000000  0.12000000  0.14285714       0.003
   0.20000000  0.12000000  0.14285714       0.003
   0.24000000  0.12000000  0.14285714       0.003
   0.28000000  0.12000000  0.14285714       0.003
   0.32000000  0.12000000  0.14285714       0.003
   0.36000000  0.12000000  0.14285714       0.003
   0.40000000  0.12000000  0.14285714       0.003
   0.44000000  0.12000000  0.14285714       0.003
   0.48000000  0.12000000  0.14285714       0.003
  -0.48000000  0.12000000  0.14285714       0.003
  -0.44000000  0.12000000  0.14285714       0.003
  -0.40000000  0.12000000  0.14285714       0.003
  -0.36000000  0.12000000  0.14285714       0.003
  -0.32000000  0.12000000  0.14285714       0.003
  -0.28000000  0.12000000  0.14285714       0.003
   0.16000000  0.16000000  0.14285714       0.003
   0.20000000  0.16000000  0.14285714       0.003
   0.24000000  0.16000000  0.14285714       0.003
   0.28000000  0.16000000  0.14285714       0.003
   0.32000000  0.16000000  0.14285714       0.003
   0.36000000  0.16000000  0.14285714       0.003
   0.40000000  0.16000000  0.14285714       0.003
   0.44000000  0.16000000  0.14285714       0.003
   0.48000000  0.16000000  0.14285714       0.003
  -0.48000000  0.16000000  0.14285714       0.003
  -0.44000000  0.16000000  0.14285714       0.003
  -0.40000000  0.16000000  0.14285714       0.003
  -0.36000000  0.16000000  0.14285714       0.003
   0.20000000  0.20000000  0.14285714       0.003
   0.24000000  0.20000000  0.14285714       0.003
   0.28000000  0.20000000  0.14285714       0.003
   0.32000000  0.20000000  0.14285714       0.003
   0.36000000  0.20000000  0.14285714       0.003
   0.40000000  0.20000000  0.14285714       0.003
   0.44000000  0.20000000  0.14285714       0.003
   0.48000000  0.20000000  0.14285714       0.003
  -0.48000000  0.20000000  0.14285714       0.003
  -0.44000000  0.20000000  0.14285714       0.003
   0.24000000  0.24000000  0.14285714       0.003
   0.28000000  0.24000000  0.14285714       0.003
   0.32000000  0.24000000  0.14285714       0.003
   0.36000000  0.24000000  0.14285714       0.003
   0.40000000  0.24000000  0.14285714       0.003
   0.44000000  0.24000000  0.14285714       0.003
   0.48000000  0.24000000  0.14285714       0.003
   0.28000000  0.28000000  0.14285714       0.003
   0.32000000  0.28000000  0.14285714       0.003
   0.36000000  0.28000000  0.14285714       0.003
   0.40000000  0.28000000  0.14285714       0.003
   0.32000000  0.32000000  0.14285714       0.003
   0.00000000  0.00000000  0.28571429       0.000
   0.04000000  0.00000000  0.28571429       0.001
   0.08000000  0.00000000  0.28571429       0.001
   0.12000000  0.00000000  0.28571429       0.001
   0.16000000  0.00000000  0.28571429       0.001
   0.20000000  0.00000000  0.28571429       0.001
   0.24000000  0.00000000  0.28571429       0.001
   0.28000000  0.00000000  0.28571429       0.001
   0.32000000  0.00000000  0.28571429       0.001
   0.36000000  0.00000000  0.28571429       0.001
   0.40000000  0.00000000  0.28571429       0.001
   0.44000000 -0.00000000  0.28571429       0.001
   0.48000000  0.00000000  0.28571429       0.001
  -0.48000000 -0.00000000  0.28571429       0.001
  -0.44000000  0.00000000  0.28571429       0.001
  -0.40000000 -0.00000000  0.28571429       0.001
  -0.36000000 -0.00000000  0.28571429       0.001
  -0.32000000  0.00000000  0.28571429       0.001
  -0.28000000  0.00000000  0.28571429       0.001
  -0.24000000 -0.00000000  0.28571429       0.001
  -0.20000000 -0.00000000  0.28571429       0.001
  -0.16000000  0.00000000  0.28571429       0.001
  -0.12000000 -0.00000000  0.28571429       0.001
  -0.08000000  0.00000000  0.28571429       0.001
  -0.04000000  0.00000000  0.28571429       0.001
   0.04000000  0.04000000  0.28571429       0.003
   0.08000000  0.04000000  0.28571429       0.003
   0.12000000  0.04000000  0.28571429       0.003
   0.16000000  0.04000000  0.28571429       0.003
   0.20000000  0.04000000  0.28571429       0.003
   0.24000000  0.04000000  0.28571429       0.003
   0.28000000  0.04000000  0.28571429       0.003
   0.32000000  0.04000000  0.28571429       0.003
   0.36000000  0.04000000  0.28571429       0.003
   0.40000000  0.04000000  0.28571429       0.003
   0.44000000  0.04000000  0.28571429       0.003
   0.48000000  0.04000000  0.28571429       0.003
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  -0.44000000  0.04000000  0.28571429       0.003
  -0.40000000  0.04000000  0.28571429       0.003
  -0.36000000  0.04000000  0.28571429       0.003
  -0.32000000  0.04000000  0.28571429       0.003
  -0.28000000  0.04000000  0.28571429       0.003
  -0.24000000  0.04000000  0.28571429       0.003
  -0.20000000  0.04000000  0.28571429       0.003
  -0.16000000  0.04000000  0.28571429       0.003
  -0.12000000  0.04000000  0.28571429       0.003
   0.08000000  0.08000000  0.28571429       0.003
   0.12000000  0.08000000  0.28571429       0.003
   0.16000000  0.08000000  0.28571429       0.003
   0.20000000  0.08000000  0.28571429       0.003
   0.24000000  0.08000000  0.28571429       0.003
   0.28000000  0.08000000  0.28571429       0.003
   0.32000000  0.08000000  0.28571429       0.003
   0.36000000  0.08000000  0.28571429       0.003
   0.40000000  0.08000000  0.28571429       0.003
   0.44000000  0.08000000  0.28571429       0.003
   0.48000000  0.08000000  0.28571429       0.003
  -0.48000000  0.08000000  0.28571429       0.003
  -0.44000000  0.08000000  0.28571429       0.003
  -0.40000000  0.08000000  0.28571429       0.003
  -0.36000000  0.08000000  0.28571429       0.003
  -0.32000000  0.08000000  0.28571429       0.003
  -0.28000000  0.08000000  0.28571429       0.003
  -0.24000000  0.08000000  0.28571429       0.003
  -0.20000000  0.08000000  0.28571429       0.003
   0.12000000  0.12000000  0.28571429       0.003
   0.16000000  0.12000000  0.28571429       0.003
   0.20000000  0.12000000  0.28571429       0.003
   0.24000000  0.12000000  0.28571429       0.003
   0.28000000  0.12000000  0.28571429       0.003
   0.32000000  0.12000000  0.28571429       0.003
   0.36000000  0.12000000  0.28571429       0.003
   0.40000000  0.12000000  0.28571429       0.003
   0.44000000  0.12000000  0.28571429       0.003
   0.48000000  0.12000000  0.28571429       0.003
  -0.48000000  0.12000000  0.28571429       0.003
  -0.44000000  0.12000000  0.28571429       0.003
  -0.40000000  0.12000000  0.28571429       0.003
  -0.36000000  0.12000000  0.28571429       0.003
  -0.32000000  0.12000000  0.28571429       0.003
  -0.28000000  0.12000000  0.28571429       0.003
   0.16000000  0.16000000  0.28571429       0.003
   0.20000000  0.16000000  0.28571429       0.003
   0.24000000  0.16000000  0.28571429       0.003
   0.28000000  0.16000000  0.28571429       0.003
   0.32000000  0.16000000  0.28571429       0.003
   0.36000000  0.16000000  0.28571429       0.003
   0.40000000  0.16000000  0.28571429       0.003
   0.44000000  0.16000000  0.28571429       0.003
   0.48000000  0.16000000  0.28571429       0.003
  -0.48000000  0.16000000  0.28571429       0.003
  -0.44000000  0.16000000  0.28571429       0.003
  -0.40000000  0.16000000  0.28571429       0.003
  -0.36000000  0.16000000  0.28571429       0.003
   0.20000000  0.20000000  0.28571429       0.003
   0.24000000  0.20000000  0.28571429       0.003
   0.28000000  0.20000000  0.28571429       0.003
   0.32000000  0.20000000  0.28571429       0.003
   0.36000000  0.20000000  0.28571429       0.003
   0.40000000  0.20000000  0.28571429       0.003
   0.44000000  0.20000000  0.28571429       0.003
   0.48000000  0.20000000  0.28571429       0.003
  -0.48000000  0.20000000  0.28571429       0.003
  -0.44000000  0.20000000  0.28571429       0.003
   0.24000000  0.24000000  0.28571429       0.003
   0.28000000  0.24000000  0.28571429       0.003
   0.32000000  0.24000000  0.28571429       0.003
   0.36000000  0.24000000  0.28571429       0.003
   0.40000000  0.24000000  0.28571429       0.003
   0.44000000  0.24000000  0.28571429       0.003
   0.48000000  0.24000000  0.28571429       0.003
   0.28000000  0.28000000  0.28571429       0.003
   0.32000000  0.28000000  0.28571429       0.003
   0.36000000  0.28000000  0.28571429       0.003
   0.40000000  0.28000000  0.28571429       0.003
   0.32000000  0.32000000  0.28571429       0.003
   0.00000000  0.00000000  0.42857143       0.000
   0.04000000  0.00000000  0.42857143       0.001
   0.08000000  0.00000000  0.42857143       0.001
   0.12000000  0.00000000  0.42857143       0.001
   0.16000000  0.00000000  0.42857143       0.001
   0.20000000  0.00000000  0.42857143       0.001
   0.24000000  0.00000000  0.42857143       0.001
   0.28000000  0.00000000  0.42857143       0.001
   0.32000000  0.00000000  0.42857143       0.001
   0.36000000  0.00000000  0.42857143       0.001
   0.40000000  0.00000000  0.42857143       0.001
   0.44000000 -0.00000000  0.42857143       0.001
   0.48000000  0.00000000  0.42857143       0.001
  -0.48000000 -0.00000000  0.42857143       0.001
  -0.44000000  0.00000000  0.42857143       0.001
  -0.40000000 -0.00000000  0.42857143       0.001
  -0.36000000 -0.00000000  0.42857143       0.001
  -0.32000000  0.00000000  0.42857143       0.001
  -0.28000000  0.00000000  0.42857143       0.001
  -0.24000000 -0.00000000  0.42857143       0.001
  -0.20000000 -0.00000000  0.42857143       0.001
  -0.16000000  0.00000000  0.42857143       0.001
  -0.12000000 -0.00000000  0.42857143       0.001
  -0.08000000  0.00000000  0.42857143       0.001
  -0.04000000  0.00000000  0.42857143       0.001
   0.04000000  0.04000000  0.42857143       0.003
   0.08000000  0.04000000  0.42857143       0.003
   0.12000000  0.04000000  0.42857143       0.003
   0.16000000  0.04000000  0.42857143       0.003
   0.20000000  0.04000000  0.42857143       0.003
   0.24000000  0.04000000  0.42857143       0.003
   0.28000000  0.04000000  0.42857143       0.003
   0.32000000  0.04000000  0.42857143       0.003
   0.36000000  0.04000000  0.42857143       0.003
   0.40000000  0.04000000  0.42857143       0.003
   0.44000000  0.04000000  0.42857143       0.003
   0.48000000  0.04000000  0.42857143       0.003
  -0.48000000  0.04000000  0.42857143       0.003
  -0.44000000  0.04000000  0.42857143       0.003
  -0.40000000  0.04000000  0.42857143       0.003
  -0.36000000  0.04000000  0.42857143       0.003
  -0.32000000  0.04000000  0.42857143       0.003
  -0.28000000  0.04000000  0.42857143       0.003
  -0.24000000  0.04000000  0.42857143       0.003
  -0.20000000  0.04000000  0.42857143       0.003
  -0.16000000  0.04000000  0.42857143       0.003
  -0.12000000  0.04000000  0.42857143       0.003
   0.08000000  0.08000000  0.42857143       0.003
   0.12000000  0.08000000  0.42857143       0.003
   0.16000000  0.08000000  0.42857143       0.003
   0.20000000  0.08000000  0.42857143       0.003
   0.24000000  0.08000000  0.42857143       0.003
   0.28000000  0.08000000  0.42857143       0.003
   0.32000000  0.08000000  0.42857143       0.003
   0.36000000  0.08000000  0.42857143       0.003
   0.40000000  0.08000000  0.42857143       0.003
   0.44000000  0.08000000  0.42857143       0.003
   0.48000000  0.08000000  0.42857143       0.003
  -0.48000000  0.08000000  0.42857143       0.003
  -0.44000000  0.08000000  0.42857143       0.003
  -0.40000000  0.08000000  0.42857143       0.003
  -0.36000000  0.08000000  0.42857143       0.003
  -0.32000000  0.08000000  0.42857143       0.003
  -0.28000000  0.08000000  0.42857143       0.003
  -0.24000000  0.08000000  0.42857143       0.003
  -0.20000000  0.08000000  0.42857143       0.003
   0.12000000  0.12000000  0.42857143       0.003
   0.16000000  0.12000000  0.42857143       0.003
   0.20000000  0.12000000  0.42857143       0.003
   0.24000000  0.12000000  0.42857143       0.003
   0.28000000  0.12000000  0.42857143       0.003
   0.32000000  0.12000000  0.42857143       0.003
   0.36000000  0.12000000  0.42857143       0.003
   0.40000000  0.12000000  0.42857143       0.003
   0.44000000  0.12000000  0.42857143       0.003
   0.48000000  0.12000000  0.42857143       0.003
  -0.48000000  0.12000000  0.42857143       0.003
  -0.44000000  0.12000000  0.42857143       0.003
  -0.40000000  0.12000000  0.42857143       0.003
  -0.36000000  0.12000000  0.42857143       0.003
  -0.32000000  0.12000000  0.42857143       0.003
  -0.28000000  0.12000000  0.42857143       0.003
   0.16000000  0.16000000  0.42857143       0.003
   0.20000000  0.16000000  0.42857143       0.003
   0.24000000  0.16000000  0.42857143       0.003
   0.28000000  0.16000000  0.42857143       0.003
   0.32000000  0.16000000  0.42857143       0.003
   0.36000000  0.16000000  0.42857143       0.003
   0.40000000  0.16000000  0.42857143       0.003
   0.44000000  0.16000000  0.42857143       0.003
   0.48000000  0.16000000  0.42857143       0.003
  -0.48000000  0.16000000  0.42857143       0.003
  -0.44000000  0.16000000  0.42857143       0.003
  -0.40000000  0.16000000  0.42857143       0.003
  -0.36000000  0.16000000  0.42857143       0.003
   0.20000000  0.20000000  0.42857143       0.003
   0.24000000  0.20000000  0.42857143       0.003
   0.28000000  0.20000000  0.42857143       0.003
   0.32000000  0.20000000  0.42857143       0.003
   0.36000000  0.20000000  0.42857143       0.003
   0.40000000  0.20000000  0.42857143       0.003
   0.44000000  0.20000000  0.42857143       0.003
   0.48000000  0.20000000  0.42857143       0.003
  -0.48000000  0.20000000  0.42857143       0.003
  -0.44000000  0.20000000  0.42857143       0.003
   0.24000000  0.24000000  0.42857143       0.003
   0.28000000  0.24000000  0.42857143       0.003
   0.32000000  0.24000000  0.42857143       0.003
   0.36000000  0.24000000  0.42857143       0.003
   0.40000000  0.24000000  0.42857143       0.003
   0.44000000  0.24000000  0.42857143       0.003
   0.48000000  0.24000000  0.42857143       0.003
   0.28000000  0.28000000  0.42857143       0.003
   0.32000000  0.28000000  0.42857143       0.003
   0.36000000  0.28000000  0.42857143       0.003
   0.40000000  0.28000000  0.42857143       0.003
   0.32000000  0.32000000  0.42857143       0.003
 
 position of ions in fractional coordinates (direct lattice) 
   0.33333333  0.66666667  0.37643121
   0.66666667  0.33333333  0.12356879
   0.33333333  0.66666667  0.87809347
   0.66666667  0.33333333  0.62190653
 
 position of ions in cartesian coordinates  (Angst):
  -0.00000001  1.86565245  3.73602198
   1.61570242  0.93282621  1.22640133
  -0.00000001  1.86565245  8.71494304
   1.61570242  0.93282621  6.17232688
 


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


 k-point  1 :   0.0000 0.0000 0.0000  plane waves:    2629
 k-point  2 :   0.0400 0.0000 0.0000  plane waves:    2615
 k-point  3 :   0.0800 0.0000 0.0000  plane waves:    2617
 k-point  4 :   0.1200 0.0000 0.0000  plane waves:    2623
 k-point  5 :   0.1600 0.0000 0.0000  plane waves:    2617
 k-point  6 :   0.2000 0.0000 0.0000  plane waves:    2605
 k-point  7 :   0.2400 0.0000 0.0000  plane waves:    2621
 k-point  8 :   0.2800 0.0000 0.0000  plane waves:    2617
 k-point  9 :   0.3200 0.0000 0.0000  plane waves:    2623
 k-point 10 :   0.3600 0.0000 0.0000  plane waves:    2632
 k-point 11 :   0.4000 0.0000 0.0000  plane waves:    2630
 k-point 12 :   0.4400-0.0000 0.0000  plane waves:    2634
 k-point 13 :   0.4800 0.0000 0.0000  plane waves:    2648
 k-point 14 :   0.0400 0.0400 0.0000  plane waves:    2621
 k-point 15 :   0.0800 0.0400 0.0000  plane waves:    2612
 k-point 16 :   0.1200 0.0400 0.0000  plane waves:    2610
 k-point 17 :   0.1600 0.0400 0.0000  plane waves:    2609
 k-point 18 :   0.2000 0.0400 0.0000  plane waves:    2609
 k-point 19 :   0.2400 0.0400 0.0000  plane waves:    2622
 k-point 20 :   0.2800 0.0400 0.0000  plane waves:    2622
 k-point 21 :   0.3200 0.0400 0.0000  plane waves:    2633
 k-point 22 :   0.3600 0.0400 0.0000  plane waves:    2630
 k-point 23 :   0.4000 0.0400 0.0000  plane waves:    2632
 k-point 24 :   0.4400 0.0400 0.0000  plane waves:    2638
 k-point 25 :   0.4800 0.0400 0.0000  plane waves:    2638
 k-point 26 :   0.0800 0.0800 0.0000  plane waves:    2617
 k-point 27 :   0.1200 0.0800 0.0000  plane waves:    2613
 k-point 28 :   0.1600 0.0800 0.0000  plane waves:    2611
 k-point 29 :   0.2000 0.0800 0.0000  plane waves:    2620
 k-point 30 :   0.2400 0.0800 0.0000  plane waves:    2627
 k-point 31 :   0.2800 0.0800 0.0000  plane waves:    2635
 k-point 32 :   0.3200 0.0800 0.0000  plane waves:    2634
 k-point 33 :   0.3600 0.0800 0.0000  plane waves:    2636
 k-point 34 :   0.4000 0.0800 0.0000  plane waves:    2630
 k-point 35 :   0.4400 0.0800 0.0000  plane waves:    2642
 k-point 36 :   0.1200 0.1200 0.0000  plane waves:    2608
 k-point 37 :   0.1600 0.1200 0.0000  plane waves:    2616
 k-point 38 :   0.2000 0.1200 0.0000  plane waves:    2620
 k-point 39 :   0.2400 0.1200 0.0000  plane waves:    2625
 k-point 40 :   0.2800 0.1200 0.0000  plane waves:    2631
 k-point 41 :   0.3200 0.1200 0.0000  plane waves:    2627
 k-point 42 :   0.3600 0.1200 0.0000  plane waves:    2633
 k-point 43 :   0.4000 0.1200 0.0000  plane waves:    2643
 k-point 44 :   0.4400 0.1200 0.0000  plane waves:    2634
 k-point 45 :   0.1600 0.1600 0.0000  plane waves:    2628
 k-point 46 :   0.2000 0.1600 0.0000  plane waves:    2619
 k-point 47 :   0.2400 0.1600 0.0000  plane waves:    2635
 k-point 48 :   0.2800 0.1600 0.0000  plane waves:    2626
 k-point 49 :   0.3200 0.1600 0.0000  plane waves:    2626
 k-point 50 :   0.3600 0.1600 0.0000  plane waves:    2623
 k-point 51 :   0.4000 0.1600 0.0000  plane waves:    2624
 k-point 52 :   0.2000 0.2000 0.0000  plane waves:    2630
 k-point 53 :   0.2400 0.2000 0.0000  plane waves:    2632
 k-point 54 :   0.2800 0.2000 0.0000  plane waves:    2623
 k-point 55 :   0.3200 0.2000 0.0000  plane waves:    2626
 k-point 56 :   0.3600 0.2000 0.0000  plane waves:    2634
 k-point 57 :   0.4000 0.2000 0.0000  plane waves:    2632
 k-point 58 :   0.2400 0.2400 0.0000  plane waves:    2620
 k-point 59 :   0.2800 0.2400 0.0000  plane waves:    2626
 k-point 60 :   0.3200 0.2400 0.0000  plane waves:    2638
 k-point 61 :   0.3600 0.2400 0.0000  plane waves:    2638
 k-point 62 :   0.2800 0.2800 0.0000  plane waves:    2652
 k-point 63 :   0.3200 0.2800 0.0000  plane waves:    2642
 k-point 64 :   0.3600 0.2800 0.0000  plane waves:    2638
 k-point 65 :   0.3200 0.3200 0.0000  plane waves:    2652
 k-point 66 :   0.0000 0.0000 0.1429  plane waves:    2612
 k-point 67 :   0.0400 0.0000 0.1429  plane waves:    2627
 k-point 68 :   0.0800 0.0000 0.1429  plane waves:    2623
 k-point 69 :   0.1200 0.0000 0.1429  plane waves:    2617
 k-point 70 :   0.1600 0.0000 0.1429  plane waves:    2626
 k-point 71 :   0.2000 0.0000 0.1429  plane waves:    2621
 k-point 72 :   0.2400 0.0000 0.1429  plane waves:    2614
 k-point 73 :   0.2800 0.0000 0.1429  plane waves:    2624
 k-point 74 :   0.3200 0.0000 0.1429  plane waves:    2628
 k-point 75 :   0.3600 0.0000 0.1429  plane waves:    2627
 k-point 76 :   0.4000 0.0000 0.1429  plane waves:    2639
 k-point 77 :   0.4400-0.0000 0.1429  plane waves:    2642
 k-point 78 :   0.4800 0.0000 0.1429  plane waves:    2648
 k-point 79 :  -0.4800-0.0000 0.1429  plane waves:    2648
 k-point 80 :  -0.4400 0.0000 0.1429  plane waves:    2642
 k-point 81 :  -0.4000-0.0000 0.1429  plane waves:    2639
 k-point 82 :  -0.3600-0.0000 0.1429  plane waves:    2627
 k-point 83 :  -0.3200 0.0000 0.1429  plane waves:    2628
 k-point 84 :  -0.2800 0.0000 0.1429  plane waves:    2624
 k-point 85 :  -0.2400-0.0000 0.1429  plane waves:    2614
 k-point 86 :  -0.2000-0.0000 0.1429  plane waves:    2621
 k-point 87 :  -0.1600 0.0000 0.1429  plane waves:    2626
 k-point 88 :  -0.1200-0.0000 0.1429  plane waves:    2617
 k-point 89 :  -0.0800 0.0000 0.1429  plane waves:    2623
 k-point 90 :  -0.0400 0.0000 0.1429  plane waves:    2627
 k-point 91 :   0.0400 0.0400 0.1429  plane waves:    2630
 k-point 92 :   0.0800 0.0400 0.1429  plane waves:    2623
 k-point 93 :   0.1200 0.0400 0.1429  plane waves:    2618
 k-point 94 :   0.1600 0.0400 0.1429  plane waves:    2611
 k-point 95 :   0.2000 0.0400 0.1429  plane waves:    2620
 k-point 96 :   0.2400 0.0400 0.1429  plane waves:    2627
 k-point 97 :   0.2800 0.0400 0.1429  plane waves:    2628
 k-point 98 :   0.3200 0.0400 0.1429  plane waves:    2632
 k-point 99 :   0.3600 0.0400 0.1429  plane waves:    2636
 k-point ** :   0.4000 0.0400 0.1429  plane waves:    2633
 k-point ** :   0.4400 0.0400 0.1429  plane waves:    2639
 k-point ** :   0.4800 0.0400 0.1429  plane waves:    2639
 k-point ** :  -0.4800 0.0400 0.1429  plane waves:    2639
 k-point ** :  -0.4400 0.0400 0.1429  plane waves:    2633
 k-point ** :  -0.4000 0.0400 0.1429  plane waves:    2636
 k-point ** :  -0.3600 0.0400 0.1429  plane waves:    2632
 k-point ** :  -0.3200 0.0400 0.1429  plane waves:    2628
 k-point ** :  -0.2800 0.0400 0.1429  plane waves:    2627
 k-point ** :  -0.2400 0.0400 0.1429  plane waves:    2620
 k-point ** :  -0.2000 0.0400 0.1429  plane waves:    2611
 k-point ** :  -0.1600 0.0400 0.1429  plane waves:    2618
 k-point ** :  -0.1200 0.0400 0.1429  plane waves:    2623
 k-point ** :   0.0800 0.0800 0.1429  plane waves:    2617
 k-point ** :   0.1200 0.0800 0.1429  plane waves:    2609
 k-point ** :   0.1600 0.0800 0.1429  plane waves:    2614
 k-point ** :   0.2000 0.0800 0.1429  plane waves:    2622
 k-point ** :   0.2400 0.0800 0.1429  plane waves:    2633
 k-point ** :   0.2800 0.0800 0.1429  plane waves:    2631
 k-point ** :   0.3200 0.0800 0.1429  plane waves:    2628
 k-point ** :   0.3600 0.0800 0.1429  plane waves:    2633
 k-point ** :   0.4000 0.0800 0.1429  plane waves:    2635
 k-point ** :   0.4400 0.0800 0.1429  plane waves:    2643
 k-point ** :   0.4800 0.0800 0.1429  plane waves:    2643
 k-point ** :  -0.4800 0.0800 0.1429  plane waves:    2635
 k-point ** :  -0.4400 0.0800 0.1429  plane waves:    2633
 k-point ** :  -0.4000 0.0800 0.1429  plane waves:    2628
 k-point ** :  -0.3600 0.0800 0.1429  plane waves:    2631
 k-point ** :  -0.3200 0.0800 0.1429  plane waves:    2633
 k-point ** :  -0.2800 0.0800 0.1429  plane waves:    2622
 k-point ** :  -0.2400 0.0800 0.1429  plane waves:    2614
 k-point ** :  -0.2000 0.0800 0.1429  plane waves:    2609
 k-point ** :   0.1200 0.1200 0.1429  plane waves:    2605
 k-point ** :   0.1600 0.1200 0.1429  plane waves:    2617
 k-point ** :   0.2000 0.1200 0.1429  plane waves:    2624
 k-point ** :   0.2400 0.1200 0.1429  plane waves:    2622
 k-point ** :   0.2800 0.1200 0.1429  plane waves:    2627
 k-point ** :   0.3200 0.1200 0.1429  plane waves:    2632
 k-point ** :   0.3600 0.1200 0.1429  plane waves:    2638
 k-point ** :   0.4000 0.1200 0.1429  plane waves:    2636
 k-point ** :   0.4400 0.1200 0.1429  plane waves:    2634
 k-point ** :   0.4800 0.1200 0.1429  plane waves:    2636
 k-point ** :  -0.4800 0.1200 0.1429  plane waves:    2638
 k-point ** :  -0.4400 0.1200 0.1429  plane waves:    2632
 k-point ** :  -0.4000 0.1200 0.1429  plane waves:    2627
 k-point ** :  -0.3600 0.1200 0.1429  plane waves:    2622
 k-point ** :  -0.3200 0.1200 0.1429  plane waves:    2624
 k-point ** :  -0.2800 0.1200 0.1429  plane waves:    2617
 k-point ** :   0.1600 0.1600 0.1429  plane waves:    2615
 k-point ** :   0.2000 0.1600 0.1429  plane waves:    2627
 k-point ** :   0.2400 0.1600 0.1429  plane waves:    2625
 k-point ** :   0.2800 0.1600 0.1429  plane waves:    2624
 k-point ** :   0.3200 0.1600 0.1429  plane waves:    2622
 k-point ** :   0.3600 0.1600 0.1429  plane waves:    2632
 k-point ** :   0.4000 0.1600 0.1429  plane waves:    2635
 k-point ** :   0.4400 0.1600 0.1429  plane waves:    2635
 k-point ** :   0.4800 0.1600 0.1429  plane waves:    2632
 k-point ** :  -0.4800 0.1600 0.1429  plane waves:    2622
 k-point ** :  -0.4400 0.1600 0.1429  plane waves:    2624
 k-point ** :  -0.4000 0.1600 0.1429  plane waves:    2625
 k-point ** :  -0.3600 0.1600 0.1429  plane waves:    2627
 k-point ** :   0.2000 0.2000 0.1429  plane waves:    2624
 k-point ** :   0.2400 0.2000 0.1429  plane waves:    2630
 k-point ** :   0.2800 0.2000 0.1429  plane waves:    2625
 k-point ** :   0.3200 0.2000 0.1429  plane waves:    2627
 k-point ** :   0.3600 0.2000 0.1429  plane waves:    2639
 k-point ** :   0.4000 0.2000 0.1429  plane waves:    2640
 k-point ** :   0.4400 0.2000 0.1429  plane waves:    2639
 k-point ** :   0.4800 0.2000 0.1429  plane waves:    2627
 k-point ** :  -0.4800 0.2000 0.1429  plane waves:    2625
 k-point ** :  -0.4400 0.2000 0.1429  plane waves:    2630
 k-point ** :   0.2400 0.2400 0.1429  plane waves:    2626
 k-point ** :   0.2800 0.2400 0.1429  plane waves:    2629
 k-point ** :   0.3200 0.2400 0.1429  plane waves:    2634
 k-point ** :   0.3600 0.2400 0.1429  plane waves:    2639
 k-point ** :   0.4000 0.2400 0.1429  plane waves:    2639
 k-point ** :   0.4400 0.2400 0.1429  plane waves:    2634
 k-point ** :   0.4800 0.2400 0.1429  plane waves:    2629
 k-point ** :   0.2800 0.2800 0.1429  plane waves:    2630
 k-point ** :   0.3200 0.2800 0.1429  plane waves:    2641
 k-point ** :   0.3600 0.2800 0.1429  plane waves:    2639
 k-point ** :   0.4000 0.2800 0.1429  plane waves:    2641
 k-point ** :   0.3200 0.3200 0.1429  plane waves:    2648
 k-point ** :   0.0000 0.0000 0.2857  plane waves:    2648
 k-point ** :   0.0400 0.0000 0.2857  plane waves:    2633
 k-point ** :   0.0800 0.0000 0.2857  plane waves:    2619
 k-point ** :   0.1200 0.0000 0.2857  plane waves:    2626
 k-point ** :   0.1600 0.0000 0.2857  plane waves:    2619
 k-point ** :   0.2000 0.0000 0.2857  plane waves:    2621
 k-point ** :   0.2400 0.0000 0.2857  plane waves:    2622
 k-point ** :   0.2800 0.0000 0.2857  plane waves:    2622
 k-point ** :   0.3200 0.0000 0.2857  plane waves:    2624
 k-point ** :   0.3600 0.0000 0.2857  plane waves:    2635
 k-point ** :   0.4000 0.0000 0.2857  plane waves:    2636
 k-point ** :   0.4400-0.0000 0.2857  plane waves:    2633
 k-point ** :   0.4800 0.0000 0.2857  plane waves:    2639
 k-point ** :  -0.4800-0.0000 0.2857  plane waves:    2639
 k-point ** :  -0.4400 0.0000 0.2857  plane waves:    2633
 k-point ** :  -0.4000-0.0000 0.2857  plane waves:    2636
 k-point ** :  -0.3600-0.0000 0.2857  plane waves:    2635
 k-point ** :  -0.3200 0.0000 0.2857  plane waves:    2624
 k-point ** :  -0.2800 0.0000 0.2857  plane waves:    2622
 k-point ** :  -0.2400-0.0000 0.2857  plane waves:    2622
 k-point ** :  -0.2000-0.0000 0.2857  plane waves:    2621
 k-point ** :  -0.1600 0.0000 0.2857  plane waves:    2619
 k-point ** :  -0.1200-0.0000 0.2857  plane waves:    2626
 k-point ** :  -0.0800 0.0000 0.2857  plane waves:    2619
 k-point ** :  -0.0400 0.0000 0.2857  plane waves:    2633
 k-point ** :   0.0400 0.0400 0.2857  plane waves:    2627
 k-point ** :   0.0800 0.0400 0.2857  plane waves:    2622
 k-point ** :   0.1200 0.0400 0.2857  plane waves:    2620
 k-point ** :   0.1600 0.0400 0.2857  plane waves:    2620
 k-point ** :   0.2000 0.0400 0.2857  plane waves:    2617
 k-point ** :   0.2400 0.0400 0.2857  plane waves:    2625
 k-point ** :   0.2800 0.0400 0.2857  plane waves:    2630
 k-point ** :   0.3200 0.0400 0.2857  plane waves:    2634
 k-point ** :   0.3600 0.0400 0.2857  plane waves:    2630
 k-point ** :   0.4000 0.0400 0.2857  plane waves:    2631
 k-point ** :   0.4400 0.0400 0.2857  plane waves:    2633
 k-point ** :   0.4800 0.0400 0.2857  plane waves:    2636
 k-point ** :  -0.4800 0.0400 0.2857  plane waves:    2633
 k-point ** :  -0.4400 0.0400 0.2857  plane waves:    2631
 k-point ** :  -0.4000 0.0400 0.2857  plane waves:    2630
 k-point ** :  -0.3600 0.0400 0.2857  plane waves:    2634
 k-point ** :  -0.3200 0.0400 0.2857  plane waves:    2630
 k-point ** :  -0.2800 0.0400 0.2857  plane waves:    2625
 k-point ** :  -0.2400 0.0400 0.2857  plane waves:    2617
 k-point ** :  -0.2000 0.0400 0.2857  plane waves:    2620
 k-point ** :  -0.1600 0.0400 0.2857  plane waves:    2620
 k-point ** :  -0.1200 0.0400 0.2857  plane waves:    2622
 k-point ** :   0.0800 0.0800 0.2857  plane waves:    2623
 k-point ** :   0.1200 0.0800 0.2857  plane waves:    2618
 k-point ** :   0.1600 0.0800 0.2857  plane waves:    2621
 k-point ** :   0.2000 0.0800 0.2857  plane waves:    2616
 k-point ** :   0.2400 0.0800 0.2857  plane waves:    2629
 k-point ** :   0.2800 0.0800 0.2857  plane waves:    2633
 k-point ** :   0.3200 0.0800 0.2857  plane waves:    2637
 k-point ** :   0.3600 0.0800 0.2857  plane waves:    2633
 k-point ** :   0.4000 0.0800 0.2857  plane waves:    2639
 k-point ** :   0.4400 0.0800 0.2857  plane waves:    2636
 k-point ** :   0.4800 0.0800 0.2857  plane waves:    2636
 k-point ** :  -0.4800 0.0800 0.2857  plane waves:    2639
 k-point ** :  -0.4400 0.0800 0.2857  plane waves:    2633
 k-point ** :  -0.4000 0.0800 0.2857  plane waves:    2637
 k-point ** :  -0.3600 0.0800 0.2857  plane waves:    2633
 k-point ** :  -0.3200 0.0800 0.2857  plane waves:    2629
 k-point ** :  -0.2800 0.0800 0.2857  plane waves:    2616
 k-point ** :  -0.2400 0.0800 0.2857  plane waves:    2621
 k-point ** :  -0.2000 0.0800 0.2857  plane waves:    2618
 k-point ** :   0.1200 0.1200 0.2857  plane waves:    2617
 k-point ** :   0.1600 0.1200 0.2857  plane waves:    2615
 k-point ** :   0.2000 0.1200 0.2857  plane waves:    2622
 k-point ** :   0.2400 0.1200 0.2857  plane waves:    2634
 k-point ** :   0.2800 0.1200 0.2857  plane waves:    2633
 k-point ** :   0.3200 0.1200 0.2857  plane waves:    2631
 k-point ** :   0.3600 0.1200 0.2857  plane waves:    2631
 k-point ** :   0.4000 0.1200 0.2857  plane waves:    2635
 k-point ** :   0.4400 0.1200 0.2857  plane waves:    2638
 k-point ** :   0.4800 0.1200 0.2857  plane waves:    2635
 k-point ** :  -0.4800 0.1200 0.2857  plane waves:    2631
 k-point ** :  -0.4400 0.1200 0.2857  plane waves:    2631
 k-point ** :  -0.4000 0.1200 0.2857  plane waves:    2633
 k-point ** :  -0.3600 0.1200 0.2857  plane waves:    2634
 k-point ** :  -0.3200 0.1200 0.2857  plane waves:    2622
 k-point ** :  -0.2800 0.1200 0.2857  plane waves:    2615
 k-point ** :   0.1600 0.1600 0.2857  plane waves:    2615
 k-point ** :   0.2000 0.1600 0.2857  plane waves:    2630
 k-point ** :   0.2400 0.1600 0.2857  plane waves:    2634
 k-point ** :   0.2800 0.1600 0.2857  plane waves:    2633
 k-point ** :   0.3200 0.1600 0.2857  plane waves:    2633
 k-point ** :   0.3600 0.1600 0.2857  plane waves:    2633
 k-point ** :   0.4000 0.1600 0.2857  plane waves:    2635
 k-point ** :   0.4400 0.1600 0.2857  plane waves:    2635
 k-point ** :   0.4800 0.1600 0.2857  plane waves:    2633
 k-point ** :  -0.4800 0.1600 0.2857  plane waves:    2633
 k-point ** :  -0.4400 0.1600 0.2857  plane waves:    2633
 k-point ** :  -0.4000 0.1600 0.2857  plane waves:    2634
 k-point ** :  -0.3600 0.1600 0.2857  plane waves:    2630
 k-point ** :   0.2000 0.2000 0.2857  plane waves:    2624
 k-point ** :   0.2400 0.2000 0.2857  plane waves:    2630
 k-point ** :   0.2800 0.2000 0.2857  plane waves:    2633
 k-point ** :   0.3200 0.2000 0.2857  plane waves:    2635
 k-point ** :   0.3600 0.2000 0.2857  plane waves:    2630
 k-point ** :   0.4000 0.2000 0.2857  plane waves:    2635
 k-point ** :   0.4400 0.2000 0.2857  plane waves:    2630
 k-point ** :   0.4800 0.2000 0.2857  plane waves:    2635
 k-point ** :  -0.4800 0.2000 0.2857  plane waves:    2633
 k-point ** :  -0.4400 0.2000 0.2857  plane waves:    2630
 k-point ** :   0.2400 0.2400 0.2857  plane waves:    2628
 k-point ** :   0.2800 0.2400 0.2857  plane waves:    2634
 k-point ** :   0.3200 0.2400 0.2857  plane waves:    2635
 k-point ** :   0.3600 0.2400 0.2857  plane waves:    2632
 k-point ** :   0.4000 0.2400 0.2857  plane waves:    2632
 k-point ** :   0.4400 0.2400 0.2857  plane waves:    2635
 k-point ** :   0.4800 0.2400 0.2857  plane waves:    2634
 k-point ** :   0.2800 0.2800 0.2857  plane waves:    2635
 k-point ** :   0.3200 0.2800 0.2857  plane waves:    2632
 k-point ** :   0.3600 0.2800 0.2857  plane waves:    2637
 k-point ** :   0.4000 0.2800 0.2857  plane waves:    2632
 k-point ** :   0.3200 0.3200 0.2857  plane waves:    2633
 k-point ** :   0.0000 0.0000 0.4286  plane waves:    2666
 k-point ** :   0.0400 0.0000 0.4286  plane waves:    2654
 k-point ** :   0.0800 0.0000 0.4286  plane waves:    2627
 k-point ** :   0.1200 0.0000 0.4286  plane waves:    2624
 k-point ** :   0.1600 0.0000 0.4286  plane waves:    2621
 k-point ** :   0.2000 0.0000 0.4286  plane waves:    2620
 k-point ** :   0.2400 0.0000 0.4286  plane waves:    2628
 k-point ** :   0.2800 0.0000 0.4286  plane waves:    2624
 k-point ** :   0.3200 0.0000 0.4286  plane waves:    2620
 k-point ** :   0.3600 0.0000 0.4286  plane waves:    2620
 k-point ** :   0.4000 0.0000 0.4286  plane waves:    2632
 k-point ** :   0.4400-0.0000 0.4286  plane waves:    2631
 k-point ** :   0.4800 0.0000 0.4286  plane waves:    2624
 k-point ** :  -0.4800-0.0000 0.4286  plane waves:    2624
 k-point ** :  -0.4400 0.0000 0.4286  plane waves:    2631
 k-point ** :  -0.4000-0.0000 0.4286  plane waves:    2632
 k-point ** :  -0.3600-0.0000 0.4286  plane waves:    2620
 k-point ** :  -0.3200 0.0000 0.4286  plane waves:    2620
 k-point ** :  -0.2800 0.0000 0.4286  plane waves:    2624
 k-point ** :  -0.2400-0.0000 0.4286  plane waves:    2628
 k-point ** :  -0.2000-0.0000 0.4286  plane waves:    2620
 k-point ** :  -0.1600 0.0000 0.4286  plane waves:    2621
 k-point ** :  -0.1200-0.0000 0.4286  plane waves:    2624
 k-point ** :  -0.0800 0.0000 0.4286  plane waves:    2627
 k-point ** :  -0.0400 0.0000 0.4286  plane waves:    2654
 k-point ** :   0.0400 0.0400 0.4286  plane waves:    2629
 k-point ** :   0.0800 0.0400 0.4286  plane waves:    2629
 k-point ** :   0.1200 0.0400 0.4286  plane waves:    2623
 k-point ** :   0.1600 0.0400 0.4286  plane waves:    2620
 k-point ** :   0.2000 0.0400 0.4286  plane waves:    2619
 k-point ** :   0.2400 0.0400 0.4286  plane waves:    2630
 k-point ** :   0.2800 0.0400 0.4286  plane waves:    2622
 k-point ** :   0.3200 0.0400 0.4286  plane waves:    2625
 k-point ** :   0.3600 0.0400 0.4286  plane waves:    2628
 k-point ** :   0.4000 0.0400 0.4286  plane waves:    2636
 k-point ** :   0.4400 0.0400 0.4286  plane waves:    2630
 k-point ** :   0.4800 0.0400 0.4286  plane waves:    2627
 k-point ** :  -0.4800 0.0400 0.4286  plane waves:    2630
 k-point ** :  -0.4400 0.0400 0.4286  plane waves:    2636
 k-point ** :  -0.4000 0.0400 0.4286  plane waves:    2628
 k-point ** :  -0.3600 0.0400 0.4286  plane waves:    2625
 k-point ** :  -0.3200 0.0400 0.4286  plane waves:    2622
 k-point ** :  -0.2800 0.0400 0.4286  plane waves:    2630
 k-point ** :  -0.2400 0.0400 0.4286  plane waves:    2619
 k-point ** :  -0.2000 0.0400 0.4286  plane waves:    2620
 k-point ** :  -0.1600 0.0400 0.4286  plane waves:    2623
 k-point ** :  -0.1200 0.0400 0.4286  plane waves:    2629
 k-point ** :   0.0800 0.0800 0.4286  plane waves:    2625
 k-point ** :   0.1200 0.0800 0.4286  plane waves:    2621
 k-point ** :   0.1600 0.0800 0.4286  plane waves:    2618
 k-point ** :   0.2000 0.0800 0.4286  plane waves:    2623
 k-point ** :   0.2400 0.0800 0.4286  plane waves:    2626
 k-point ** :   0.2800 0.0800 0.4286  plane waves:    2632
 k-point ** :   0.3200 0.0800 0.4286  plane waves:    2628
 k-point ** :   0.3600 0.0800 0.4286  plane waves:    2632
 k-point ** :   0.4000 0.0800 0.4286  plane waves:    2634
 k-point ** :   0.4400 0.0800 0.4286  plane waves:    2627
 k-point ** :   0.4800 0.0800 0.4286  plane waves:    2627
 k-point ** :  -0.4800 0.0800 0.4286  plane waves:    2634
 k-point ** :  -0.4400 0.0800 0.4286  plane waves:    2632
 k-point ** :  -0.4000 0.0800 0.4286  plane waves:    2628
 k-point ** :  -0.3600 0.0800 0.4286  plane waves:    2632
 k-point ** :  -0.3200 0.0800 0.4286  plane waves:    2626
 k-point ** :  -0.2800 0.0800 0.4286  plane waves:    2623
 k-point ** :  -0.2400 0.0800 0.4286  plane waves:    2618
 k-point ** :  -0.2000 0.0800 0.4286  plane waves:    2621
 k-point ** :   0.1200 0.1200 0.4286  plane waves:    2624
 k-point ** :   0.1600 0.1200 0.4286  plane waves:    2621
 k-point ** :   0.2000 0.1200 0.4286  plane waves:    2629
 k-point ** :   0.2400 0.1200 0.4286  plane waves:    2632
 k-point ** :   0.2800 0.1200 0.4286  plane waves:    2632
 k-point ** :   0.3200 0.1200 0.4286  plane waves:    2635
 k-point ** :   0.3600 0.1200 0.4286  plane waves:    2640
 k-point ** :   0.4000 0.1200 0.4286  plane waves:    2637
 k-point ** :   0.4400 0.1200 0.4286  plane waves:    2628
 k-point ** :   0.4800 0.1200 0.4286  plane waves:    2637
 k-point ** :  -0.4800 0.1200 0.4286  plane waves:    2640
 k-point ** :  -0.4400 0.1200 0.4286  plane waves:    2635
 k-point ** :  -0.4000 0.1200 0.4286  plane waves:    2632
 k-point ** :  -0.3600 0.1200 0.4286  plane waves:    2632
 k-point ** :  -0.3200 0.1200 0.4286  plane waves:    2629
 k-point ** :  -0.2800 0.1200 0.4286  plane waves:    2621
 k-point ** :   0.1600 0.1600 0.4286  plane waves:    2624
 k-point ** :   0.2000 0.1600 0.4286  plane waves:    2628
 k-point ** :   0.2400 0.1600 0.4286  plane waves:    2630
 k-point ** :   0.2800 0.1600 0.4286  plane waves:    2639
 k-point ** :   0.3200 0.1600 0.4286  plane waves:    2638
 k-point ** :   0.3600 0.1600 0.4286  plane waves:    2631
 k-point ** :   0.4000 0.1600 0.4286  plane waves:    2625
 k-point ** :   0.4400 0.1600 0.4286  plane waves:    2625
 k-point ** :   0.4800 0.1600 0.4286  plane waves:    2631
 k-point ** :  -0.4800 0.1600 0.4286  plane waves:    2638
 k-point ** :  -0.4400 0.1600 0.4286  plane waves:    2639
 k-point ** :  -0.4000 0.1600 0.4286  plane waves:    2630
 k-point ** :  -0.3600 0.1600 0.4286  plane waves:    2628
 k-point ** :   0.2000 0.2000 0.4286  plane waves:    2633
 k-point ** :   0.2400 0.2000 0.4286  plane waves:    2639
 k-point ** :   0.2800 0.2000 0.4286  plane waves:    2633
 k-point ** :   0.3200 0.2000 0.4286  plane waves:    2633
 k-point ** :   0.3600 0.2000 0.4286  plane waves:    2631
 k-point ** :   0.4000 0.2000 0.4286  plane waves:    2628
 k-point ** :   0.4400 0.2000 0.4286  plane waves:    2631
 k-point ** :   0.4800 0.2000 0.4286  plane waves:    2633
 k-point ** :  -0.4800 0.2000 0.4286  plane waves:    2633
 k-point ** :  -0.4400 0.2000 0.4286  plane waves:    2639
 k-point ** :   0.2400 0.2400 0.4286  plane waves:    2647
 k-point ** :   0.2800 0.2400 0.4286  plane waves:    2637
 k-point ** :   0.3200 0.2400 0.4286  plane waves:    2634
 k-point ** :   0.3600 0.2400 0.4286  plane waves:    2636
 k-point ** :   0.4000 0.2400 0.4286  plane waves:    2636
 k-point ** :   0.4400 0.2400 0.4286  plane waves:    2634
 k-point ** :   0.4800 0.2400 0.4286  plane waves:    2637
 k-point ** :   0.2800 0.2800 0.4286  plane waves:    2635
 k-point ** :   0.3200 0.2800 0.4286  plane waves:    2634
 k-point ** :   0.3600 0.2800 0.4286  plane waves:    2637
 k-point ** :   0.4000 0.2800 0.4286  plane waves:    2634
 k-point ** :   0.3200 0.3200 0.4286  plane waves:    2631

 maximum and minimum number of plane-waves per node :       457      414

 maximum number of plane-waves:      2666
 maximum index in each direction: 
   IXMAX=    6   IYMAX=    6   IZMAX=   18
   IXMIN=   -6   IYMIN=   -6   IZMIN=  -19


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


 total amount of memory used by VASP MPI-rank0   165866. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      53223. kBytes
   fftplans  :       3315. kBytes
   grid      :       5512. kBytes
   one-center:         15. kBytes
   wavefun   :      73801. kBytes
 
     INWAV:  cpu time    0.0000: real time    0.0002
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 13   NGY = 13   NGZ = 37
  (NGX  = 56   NGY  = 56   NGZ  =160)
  gives a total of   6253 points

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


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


 Maximum index for augmentation-charges         5047 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.396
 Maximum number of real-space cells 4x 4x 2
 Maximum number of reciprocal cells 2x 2x 5

    FEWALD:  cpu time    0.0011: real time    0.0011


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


    POTLOK:  cpu time    0.0354: real time    0.0364
    SETDIJ:  cpu time    0.0035: real time    0.0035
     EDDAV:  cpu time   10.6291: real time   10.7501
 BZINTS: Fermi energy: 12.333179; 40.000000 electrons
         Band energy:-255.206705;  BLOECHL correction: -0.327748
       DOS:  cpu time    0.1845: real time    0.1857
    --------------------------------------------
      LOOP:  cpu time   10.8524: real time   10.9757

 eigenvalue-minimisations  : 23304
 total energy-change (2. order) : 0.3300001E+03  (-0.2513325E+04)
 number of electron      40.0000000 magnetization 
 augmentation part       40.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       227.42752926
  Ewald energy   TEWEN  =     -2895.48285919
  -Hartree energ DENC   =     -1341.78600931
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        63.68818228
  PAW double counting   =      3691.20686513    -3859.60570231
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -255.20670475
  atomic energy  EATOM  =      4699.75883703
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       330.00013815 eV

  energy without entropy =      330.00013815  energy(sigma->0) =      330.00013815


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




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


     EDDAV:  cpu time    9.8963: real time    9.9929
 BZINTS: Fermi energy:  3.414971; 40.000000 electrons
         Band energy:-579.405016;  BLOECHL correction: -0.091213
       DOS:  cpu time    0.1887: real time    0.1895
    --------------------------------------------
      LOOP:  cpu time   10.0850: real time   10.1824

 eigenvalue-minimisations  : 20832
 total energy-change (2. order) :-0.3241983E+03  (-0.3197184E+03)
 number of electron      40.0000000 magnetization 
 augmentation part       40.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       227.42752926
  Ewald energy   TEWEN  =     -2895.48285919
  -Hartree energ DENC   =     -1341.78600931
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        63.68818228
  PAW double counting   =      3691.20686513    -3859.60570231
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -579.40501556
  atomic energy  EATOM  =      4699.75883703
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =         5.80182734 eV

  energy without entropy =        5.80182734  energy(sigma->0) =        5.80182734


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




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


     EDDAV:  cpu time   10.9228: real time   11.0240
 BZINTS: Fermi energy:  2.694170; 40.000000 electrons
         Band energy:-590.050989;  BLOECHL correction: -0.044362
       DOS:  cpu time    0.1811: real time    0.1824
    --------------------------------------------
      LOOP:  cpu time   11.1039: real time   11.2064

 eigenvalue-minimisations  : 23904
 total energy-change (2. order) :-0.1064597E+02  (-0.1058063E+02)
 number of electron      40.0000000 magnetization 
 augmentation part       40.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       227.42752926
  Ewald energy   TEWEN  =     -2895.48285919
  -Hartree energ DENC   =     -1341.78600931
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        63.68818228
  PAW double counting   =      3691.20686513    -3859.60570231
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -590.05098889
  atomic energy  EATOM  =      4699.75883703
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -4.84414599 eV

  energy without entropy =       -4.84414599  energy(sigma->0) =       -4.84414599


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




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


     EDDAV:  cpu time    9.8298: real time    9.9196
 BZINTS: Fermi energy:  2.690767; 40.000000 electrons
         Band energy:-590.103619;  BLOECHL correction: -0.044186
       DOS:  cpu time    0.1768: real time    0.1778
    --------------------------------------------
      LOOP:  cpu time   10.0066: real time   10.0974

 eigenvalue-minimisations  : 21408
 total energy-change (2. order) :-0.5263021E-01  (-0.5265389E-01)
 number of electron      40.0000000 magnetization 
 augmentation part       40.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       227.42752926
  Ewald energy   TEWEN  =     -2895.48285919
  -Hartree energ DENC   =     -1341.78600931
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        63.68818228
  PAW double counting   =      3691.20686513    -3859.60570231
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -590.10361910
  atomic energy  EATOM  =      4699.75883703
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -4.89677620 eV

  energy without entropy =       -4.89677620  energy(sigma->0) =       -4.89677620


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




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


     EDDAV:  cpu time   11.0029: real time   11.1015
 BZINTS: Fermi energy:  2.690742; 40.000000 electrons
         Band energy:-590.104109;  BLOECHL correction: -0.044184
       DOS:  cpu time    0.1566: real time    0.1573
    CHARGE:  cpu time    0.8354: real time    0.8398
    MIXING:  cpu time    0.0017: real time    0.0017
    --------------------------------------------
      LOOP:  cpu time   11.9966: real time   12.1002

 eigenvalue-minimisations  : 24664
 total energy-change (2. order) :-0.4896992E-03  (-0.4903641E-03)
 number of electron      39.9999997 magnetization 
 augmentation part       19.6065558 magnetization 

 Broyden mixing:
  rms(total) = 0.35923E+00    rms(broyden)= 0.35917E+00
  rms(prec ) = 0.52387E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       227.42752926
  Ewald energy   TEWEN  =     -2895.48285919
  -Hartree energ DENC   =     -1341.78600931
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        63.68818228
  PAW double counting   =      3691.20686513    -3859.60570231
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -590.10410880
  atomic energy  EATOM  =      4699.75883703
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -4.89726590 eV

  energy without entropy =       -4.89726590  energy(sigma->0) =       -4.89726590


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




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


    POTLOK:  cpu time    0.0326: real time    0.0330
    SETDIJ:  cpu time    0.0031: real time    0.0031
    EDDIAG:  cpu time    1.8563: real time    1.8683
  RMM-DIIS:  cpu time    7.8682: real time    7.9287
    ORTHCH:  cpu time    0.0709: real time    0.0713
 BZINTS: Fermi energy:  2.642277; 40.000000 electrons
         Band energy:-606.411137;  BLOECHL correction: -0.044422
       DOS:  cpu time    0.1647: real time    0.1653
    CHARGE:  cpu time    0.8055: real time    0.8091
    MIXING:  cpu time    0.0014: real time    0.0014
    --------------------------------------------
      LOOP:  cpu time   10.8027: real time   10.8803

 eigenvalue-minimisations  : 21277
 total energy-change (2. order) : 0.2453677E+00  (-0.8021093E-01)
 number of electron      39.9999997 magnetization 
 augmentation part       19.7270584 magnetization 

 Broyden mixing:
  rms(total) = 0.34493E+00    rms(broyden)= 0.34493E+00
  rms(prec ) = 0.35660E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.5247
  0.5247

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       227.42752926
  Ewald energy   TEWEN  =     -2895.48285919
  -Hartree energ DENC   =     -1325.59112159
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        63.24833872
  PAW double counting   =      3698.08469910    -3865.68618436
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -606.41113712
  atomic energy  EATOM  =      4699.75883703
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -4.65189816 eV

  energy without entropy =       -4.65189816  energy(sigma->0) =       -4.65189816


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




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


    POTLOK:  cpu time    0.0302: real time    0.0305
    SETDIJ:  cpu time    0.0029: real time    0.0029
    EDDIAG:  cpu time    1.8047: real time    1.8163
  RMM-DIIS:  cpu time    8.8831: real time    8.9654
    ORTHCH:  cpu time    0.0631: real time    0.0634
 BZINTS: Fermi energy:  2.625989; 40.000000 electrons
         Band energy:-609.294830;  BLOECHL correction: -0.044568
       DOS:  cpu time    0.1693: real time    0.1700
    CHARGE:  cpu time    0.8105: real time    0.8149
    MIXING:  cpu time    0.0016: real time    0.0017
    --------------------------------------------
      LOOP:  cpu time   11.7655: real time   11.8651

 eigenvalue-minimisations  : 21987
 total energy-change (2. order) : 0.1047292E-01  (-0.1852241E-02)
 number of electron      39.9999997 magnetization 
 augmentation part       19.7417092 magnetization 

 Broyden mixing:
  rms(total) = 0.22938E+00    rms(broyden)= 0.22938E+00
  rms(prec ) = 0.23662E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7617
  1.0723  2.4511

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       227.42752926
  Ewald energy   TEWEN  =     -2895.48285919
  -Hartree energ DENC   =     -1322.66202124
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        63.17839091
  PAW double counting   =      3705.11196144    -3872.67843314
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -609.29483032
  atomic energy  EATOM  =      4699.75883703
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -4.64142524 eV

  energy without entropy =       -4.64142524  energy(sigma->0) =       -4.64142524


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




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


    POTLOK:  cpu time    0.0321: real time    0.0333
    SETDIJ:  cpu time    0.0031: real time    0.0031
    EDDIAG:  cpu time    1.8356: real time    1.8481
  RMM-DIIS:  cpu time    8.5904: real time    8.6663
    ORTHCH:  cpu time    0.0642: real time    0.0646
 BZINTS: Fermi energy:  2.600403; 40.000000 electrons
         Band energy:-613.655081;  BLOECHL correction: -0.044733
       DOS:  cpu time    0.1711: real time    0.1721
    CHARGE:  cpu time    0.8099: real time    0.8146
    MIXING:  cpu time    0.0015: real time    0.0015
    --------------------------------------------
      LOOP:  cpu time   11.5079: real time   11.6035

 eigenvalue-minimisations  : 21826
 total energy-change (2. order) : 0.4170764E-02  (-0.1070205E-02)
 number of electron      39.9999997 magnetization 
 augmentation part       19.7519407 magnetization 

 Broyden mixing:
  rms(total) = 0.13502E-01    rms(broyden)= 0.13501E-01
  rms(prec ) = 0.18301E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6332
  2.5383  1.1807  1.1807

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       227.42752926
  Ewald energy   TEWEN  =     -2895.48285919
  -Hartree energ DENC   =     -1318.09856909
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        63.10223433
  PAW double counting   =      3721.26267034    -3888.95201625
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -613.65508091
  atomic energy  EATOM  =      4699.75883703
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -4.63725448 eV

  energy without entropy =       -4.63725448  energy(sigma->0) =       -4.63725448


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




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


    POTLOK:  cpu time    0.0321: real time    0.0325
    SETDIJ:  cpu time    0.0029: real time    0.0030
    EDDIAG:  cpu time    1.8282: real time    1.8411
  RMM-DIIS:  cpu time    9.0284: real time    9.1095
    ORTHCH:  cpu time    0.0609: real time    0.0613
 BZINTS: Fermi energy:  2.601348; 40.000000 electrons
         Band energy:-613.701415;  BLOECHL correction: -0.044650
       DOS:  cpu time    0.1708: real time    0.1717
    CHARGE:  cpu time    0.8094: real time    0.8140
    MIXING:  cpu time    0.0017: real time    0.0017
    --------------------------------------------
      LOOP:  cpu time   11.9344: real time   12.0348

 eigenvalue-minimisations  : 22878
 total energy-change (2. order) : 0.2809242E-03  (-0.6394574E-04)
 number of electron      39.9999997 magnetization 
 augmentation part       19.7519243 magnetization 

 Broyden mixing:
  rms(total) = 0.36574E-02    rms(broyden)= 0.36572E-02
  rms(prec ) = 0.48488E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6493
  1.0017  1.0017  2.5968  1.9971

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       227.42752926
  Ewald energy   TEWEN  =     -2895.48285919
  -Hartree energ DENC   =     -1317.99253804
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        63.10373679
  PAW double counting   =      3722.24741260    -3889.99767692
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -613.70141509
  atomic energy  EATOM  =      4699.75883703
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -4.63697355 eV

  energy without entropy =       -4.63697355  energy(sigma->0) =       -4.63697355


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




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


    POTLOK:  cpu time    0.0319: real time    0.0330
    SETDIJ:  cpu time    0.0030: real time    0.0030
    EDDIAG:  cpu time    1.8282: real time    1.8408
  RMM-DIIS:  cpu time    8.8887: real time    8.9678
    ORTHCH:  cpu time    0.0461: real time    0.0463
 BZINTS: Fermi energy:  2.601178; 40.000000 electrons
         Band energy:-613.636168;  BLOECHL correction: -0.044644
       DOS:  cpu time    0.1702: real time    0.1710
    CHARGE:  cpu time    0.8302: real time    0.8342
    MIXING:  cpu time    0.0018: real time    0.0018
    --------------------------------------------
      LOOP:  cpu time   11.8001: real time   11.8978

 eigenvalue-minimisations  : 22274
 total energy-change (2. order) :-0.7120194E-05  (-0.9188586E-05)
 number of electron      39.9999997 magnetization 
 augmentation part       19.7507031 magnetization 

 Broyden mixing:
  rms(total) = 0.19810E-02    rms(broyden)= 0.19809E-02
  rms(prec ) = 0.22529E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7581
  2.7004  2.7004  1.0033  1.0033  1.3832

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       227.42752926
  Ewald energy   TEWEN  =     -2895.48285919
  -Hartree energ DENC   =     -1318.02347485
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        63.10706164
  PAW double counting   =      3724.18755758    -3891.97546415
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -613.63616800
  atomic energy  EATOM  =      4699.75883703
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -4.63698067 eV

  energy without entropy =       -4.63698067  energy(sigma->0) =       -4.63698067


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




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


    POTLOK:  cpu time    0.0310: real time    0.0317
    SETDIJ:  cpu time    0.0029: real time    0.0029
    EDDIAG:  cpu time    1.8204: real time    1.8326
  RMM-DIIS:  cpu time    8.2415: real time    8.3174
    ORTHCH:  cpu time    0.0453: real time    0.0456
 BZINTS: Fermi energy:  2.600707; 40.000000 electrons
         Band energy:-613.730000;  BLOECHL correction: -0.044644
       DOS:  cpu time    0.1758: real time    0.1768
    CHARGE:  cpu time    0.8039: real time    0.8084
    MIXING:  cpu time    0.0015: real time    0.0015
    --------------------------------------------
      LOOP:  cpu time   11.1223: real time   11.2170

 eigenvalue-minimisations  : 19876
 total energy-change (2. order) :-0.5531101E-06  (-0.1216338E-05)
 number of electron      39.9999997 magnetization 
 augmentation part       19.7511863 magnetization 

 Broyden mixing:
  rms(total) = 0.33077E-03    rms(broyden)= 0.33072E-03
  rms(prec ) = 0.52606E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6564
  2.8247  2.4773  1.0059  1.0059  1.4387  1.1861

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       227.42752926
  Ewald energy   TEWEN  =     -2895.48285919
  -Hartree energ DENC   =     -1317.93165804
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        63.10459774
  PAW double counting   =      3725.24932326    -3893.03275091
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -613.73000038
  atomic energy  EATOM  =      4699.75883703
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -4.63698122 eV

  energy without entropy =       -4.63698122  energy(sigma->0) =       -4.63698122


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




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


    POTLOK:  cpu time    0.0304: real time    0.0307
    SETDIJ:  cpu time    0.0029: real time    0.0030
    EDDIAG:  cpu time    1.7956: real time    1.8065
  RMM-DIIS:  cpu time    5.9072: real time    5.9587
    ORTHCH:  cpu time    0.0451: real time    0.0454
 BZINTS: Fermi energy:  2.600704; 40.000000 electrons
         Band energy:-613.743706;  BLOECHL correction: -0.044642
       DOS:  cpu time    0.1700: real time    0.1707
    CHARGE:  cpu time    0.8064: real time    0.8103
    MIXING:  cpu time    0.0018: real time    0.0019
    --------------------------------------------
      LOOP:  cpu time    8.7595: real time    8.8270

 eigenvalue-minimisations  : 14020
 total energy-change (2. order) : 0.1333458E-05  (-0.8693244E-07)
 number of electron      39.9999997 magnetization 
 augmentation part       19.7512432 magnetization 

 Broyden mixing:
  rms(total) = 0.86275E-04    rms(broyden)= 0.86264E-04
  rms(prec ) = 0.10587E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6871
  2.7887  2.5865  2.0439  1.0366  1.0366  1.0480  1.2692

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       227.42752926
  Ewald energy   TEWEN  =     -2895.48285919
  -Hartree energ DENC   =     -1317.92022643
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        63.10430536
  PAW double counting   =      3725.17882292    -3892.95968278
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -613.74370606
  atomic energy  EATOM  =      4699.75883703
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -4.63697989 eV

  energy without entropy =       -4.63697989  energy(sigma->0) =       -4.63697989


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




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


    POTLOK:  cpu time    0.0321: real time    0.0326
    SETDIJ:  cpu time    0.0030: real time    0.0030
    EDDIAG:  cpu time    1.8179: real time    1.8312
  RMM-DIIS:  cpu time    5.2886: real time    5.3373
    ORTHCH:  cpu time    0.0456: real time    0.0459
 BZINTS: Fermi energy:  2.600696; 40.000000 electrons
         Band energy:-613.746715;  BLOECHL correction: -0.044643
       DOS:  cpu time    0.1743: real time    0.1749
    --------------------------------------------
      LOOP:  cpu time    7.3615: real time    7.4249

 eigenvalue-minimisations  : 12229
 total energy-change (2. order) :-0.7861308E-07  (-0.1395406E-07)
 number of electron      39.9999997 magnetization 
 augmentation part       19.7512432 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       227.42752926
  Ewald energy   TEWEN  =     -2895.48285919
  -Hartree energ DENC   =     -1317.92014313
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        63.10413344
  PAW double counting   =      3725.17795103    -3892.95571351
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =      -613.74671491
  atomic energy  EATOM  =      4699.75883703
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -4.63697997 eV

  energy without entropy =       -4.63697997  energy(sigma->0) =       -4.63697997


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




 average (electrostatic) potential at core
  the test charge radii are     1.0698  0.8294
  (the norm of the test charge is              1.0000)
       1 -39.6679       2 -39.6679       3 -45.3912       4 -45.3912
 
 
 
 E-fermi :   2.6007     XC(G=0):  -9.8554     alpha+bet : -6.9311


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -40.3107      2.00000
      2     -40.2931      2.00000
      3     -40.2927      2.00000
      4     -40.2927      2.00000
      5     -40.2899      2.00000
      6     -40.2899      2.00000
      7      -6.7937      2.00000
      8      -6.5198      2.00000
      9      -6.4370      2.00000
     10      -6.4370      2.00000
     11      -6.4135      2.00000
     12      -6.4135      2.00000
     13      -6.1242      2.00000
     14      -6.1242      2.00000
     15      -5.8897      2.00000
     16      -5.8897      2.00000
     17      -5.5153      2.00000
     18      -3.7031      2.00000
     19      -3.2929      2.00000
     20       0.9102      2.00000
     21       1.9150      2.00000
     22       9.0999      0.00000
     23       9.1405      0.00000
     24      13.2274      0.00000

 k-point     2 :       0.0400    0.0000    0.0000
  band No.  band energies     occupation 
      1     -40.3106      2.00000
      2     -40.2936      2.00000
      3     -40.2928      2.00000
      4     -40.2924      2.00000
      5     -40.2902      2.00000
      6     -40.2899      2.00000
      7      -6.7852      2.00000
      8      -6.5153      2.00000
      9      -6.4397      2.00000
     10      -6.4280      2.00000
     11      -6.4162      2.00000
     12      -6.4064      2.00000
     13      -6.1333      2.00000
     14      -6.1258      2.00000
     15      -5.9046      2.00000
     16      -5.8891      2.00000
     17      -5.4803      2.00000
     18      -3.6687      2.00000
     19      -3.2576      2.00000
     20       0.9495      2.00000
     21       1.9410      2.00000
     22       9.1228      0.00000
     23       9.1647      0.00000
     24      12.4711      0.00000

 k-point     3 :       0.0800    0.0000    0.0000
  band No.  band energies     occupation 
      1     -40.3104      2.00000
      2     -40.2948      2.00000
      3     -40.2931      2.00000
      4     -40.2922      2.00000
      5     -40.2910      2.00000
      6     -40.2901      2.00000
      7      -6.7625      2.00000
      8      -6.5066      2.00000
      9      -6.4479      2.00000
     10      -6.4196      2.00000
     11      -6.4018      2.00000
     12      -6.3859      2.00000
     13      -6.1599      2.00000
     14      -6.1296      2.00000
     15      -5.9428      2.00000
     16      -5.8876      2.00000
     17      -5.3765      2.00000
     18      -3.5659      2.00000
     19      -3.1530      2.00000
     20       1.0663      2.00000
     21       2.0195      2.17618
     22       9.1856      0.00000
     23       9.2332      0.00000
     24      11.3354      0.00000

 k-point     4 :       0.1200    0.0000    0.0000
  band No.  band energies     occupation 
      1     -40.3101      2.00000
      2     -40.2965      2.00000
      3     -40.2936      2.00000
      4     -40.2925      2.00000
      5     -40.2921      2.00000
      6     -40.2904      2.00000
      7      -6.7340      2.00000
      8      -6.5033      2.00000
      9      -6.4655      2.00000
     10      -6.4098      2.00000
     11      -6.3635      2.00000
     12      -6.3525      2.00000
     13      -6.2019      2.00000
     14      -6.1317      2.00000
     15      -5.9914      2.00000
     16      -5.8855      2.00000
     17      -5.2038      2.00000
     18      -3.3960      2.00000
     19      -2.9819      2.00000
     20       1.2580      2.00000
     21       2.1508      2.20285
     22       9.2230      0.00000
     23       9.3336      0.00000
     24      10.2334      0.00000

 k-point     5 :       0.1600    0.0000    0.0000
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.2986      2.00000
      3     -40.2943      2.00000
      4     -40.2942      2.00000
      5     -40.2922      2.00000
      6     -40.2908      2.00000
      7      -6.7151      2.00000
      8      -6.5151      2.00000
      9      -6.4776      2.00000
     10      -6.3911      2.00000
     11      -6.3314      2.00000
     12      -6.2990      2.00000
     13      -6.2518      2.00000
     14      -6.1244      2.00000
     15      -6.0374      2.00000
     16      -5.8832      2.00000
     17      -4.9595      2.00000
     18      -3.1602      2.00000
     19      -2.7476      2.00000
     20       1.5206      2.00000
     21       2.3357      1.68196
     22       8.6716      0.00000
     23       9.4447      0.00000
     24       9.7600      0.00000

 k-point     6 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -40.3091      2.00000
      2     -40.3009      2.00000
      3     -40.2963      2.00000
      4     -40.2949      2.00000
      5     -40.2924      2.00000
      6     -40.2912      2.00000
      7      -6.7186      2.00000
      8      -6.5531      2.00000
      9      -6.4618      2.00000
     10      -6.3954      2.00000
     11      -6.3130      2.00000
     12      -6.2821      2.00000
     13      -6.2326      2.00000
     14      -6.0977      2.00000
     15      -6.0689      2.00000
     16      -5.8806      2.00000
     17      -4.6416      2.00000
     18      -2.8592      2.00000
     19      -2.4525      2.00000
     20       1.8488      2.00000
     21       2.5749      0.36853
     22       7.5890      0.00000
     23       9.0339      0.00000
     24       9.2530      0.00000

 k-point     7 :       0.2400    0.0000    0.0000
  band No.  band energies     occupation 
      1     -40.3088      2.00000
      2     -40.3035      2.00000
      3     -40.2984      2.00000
      4     -40.2956      2.00000
      5     -40.2927      2.00000
      6     -40.2918      2.00000
      7      -6.7420      2.00000
      8      -6.6007      2.00000
      9      -6.4532      2.00000
     10      -6.4391      2.00000
     11      -6.3110      2.00000
     12      -6.2625      2.00000
     13      -6.1604      2.00000
     14      -6.0776      2.00000
     15      -6.0490      2.00000
     16      -5.8773      2.00000
     17      -4.2499      2.00000
     18      -2.4931      2.00000
     19      -2.0984      2.00000
     20       2.2368      2.00208
     21       2.8677      0.00021
     22       6.4717      0.00000
     23       7.9522      0.00000
     24       8.1196      0.00000

 k-point     8 :       0.2800    0.0000    0.0000
  band No.  band energies     occupation 
      1     -40.3088      2.00000
      2     -40.3061      2.00000
      3     -40.3001      2.00000
      4     -40.2963      2.00000
      5     -40.2930      2.00000
      6     -40.2923      2.00000
      7      -6.7756      2.00000
      8      -6.6506      2.00000
      9      -6.5186      2.00000
     10      -6.4430      2.00000
     11      -6.3199      2.00000
     12      -6.2165      2.00000
     13      -6.0884      2.00000
     14      -6.0637      2.00000
     15      -5.9865      2.00000
     16      -5.8718      2.00000
     17      -3.7856      2.00000
     18      -2.0620      2.00000
     19      -1.6859      2.00000
     20       2.6766      1.29990
     21       3.2079      0.00000
     22       5.3860      0.00000
     23       6.8724      0.00000
     24       6.9887      0.00000

 k-point     9 :       0.3200    0.0000    0.0000
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.3084      2.00000
      3     -40.3009      2.00000
      4     -40.2970      2.00000
      5     -40.2935      2.00000
      6     -40.2929      2.00000
      7      -6.8118      2.00000
      8      -6.6987      2.00000
      9      -6.5857      2.00000
     10      -6.4583      2.00000
     11      -6.3333      2.00000
     12      -6.1646      2.00000
     13      -6.0343      2.00000
     14      -6.0245      2.00000
     15      -5.9211      2.00000
     16      -5.8601      2.00000
     17      -3.2508      2.00000
     18      -1.5665      2.00000
     19      -1.2159      2.00000
     20       3.1529     -0.14724
     21       3.5397      0.00000
     22       4.3976      0.00000
     23       5.8384      0.00000
     24       5.9178      0.00000

 k-point    10 :       0.3600    0.0000    0.0000
  band No.  band energies     occupation 
      1     -40.3112      2.00000
      2     -40.3102      2.00000
      3     -40.3011      2.00000
      4     -40.2977      2.00000
      5     -40.2940      2.00000
      6     -40.2934      2.00000
      7      -6.8458      2.00000
      8      -6.7413      2.00000
      9      -6.6444      2.00000
     10      -6.4791      2.00000
     11      -6.3472      2.00000
     12      -6.1182      2.00000
     13      -5.9985      2.00000
     14      -5.9776      2.00000
     15      -5.8647      2.00000
     16      -5.8337      2.00000
     17      -2.6479      2.00000
     18      -1.0083      2.00000
     19      -0.6893      2.00000
     20       3.1431     -0.13379
     21       3.6105      0.00000
     22       4.2029      0.00000
     23       4.8726      0.00000
     24       4.9817      0.00000

 k-point    11 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -40.3128      2.00000
      2     -40.3114      2.00000
      3     -40.3007      2.00000
      4     -40.2982      2.00000
      5     -40.2944      2.00000
      6     -40.2938      2.00000
      7      -6.8744      2.00000
      8      -6.7754      2.00000
      9      -6.6908      2.00000
     10      -6.4987      2.00000
     11      -6.3591      2.00000
     12      -6.0825      2.00000
     13      -5.9642      2.00000
     14      -5.9519      2.00000
     15      -5.8255      2.00000
     16      -5.7912      2.00000
     17      -1.9799      2.00000
     18      -0.3918      2.00000
     19      -0.1098      2.00000
     20       2.2086      2.00076
     21       3.5546     -0.01015
     22       3.8696      0.00000
     23       4.5918      0.00000
     24       4.8073      0.00000

 k-point    12 :       0.4400   -0.0000    0.0000
  band No.  band energies     occupation 
      1     -40.3141      2.00000
      2     -40.3124      2.00000
      3     -40.3003      2.00000
      4     -40.2985      2.00000
      5     -40.2948      2.00000
      6     -40.2942      2.00000
      7      -6.8949      2.00000
      8      -6.7990      2.00000
      9      -6.7229      2.00000
     10      -6.5134      2.00000
     11      -6.3678      2.00000
     12      -6.0587      2.00000
     13      -5.9406      2.00000
     14      -5.9377      2.00000
     15      -5.7965      2.00000
     16      -5.7546      2.00000
     17      -1.2497      2.00000
     18       0.2709      2.00000
     19       0.5092      2.00000
     20       1.2764      2.00000
     21       2.8224      0.41284
     22       3.0121     -0.06179
     23       5.0541      0.00000
     24       5.3434      0.00000

 k-point    13 :       0.4800    0.0000    0.0000
  band No.  band energies     occupation 
      1     -40.3148      2.00000
      2     -40.3130      2.00000
      3     -40.3000      2.00000
      4     -40.2987      2.00000
      5     -40.2951      2.00000
      6     -40.2943      2.00000
      7      -6.9056      2.00000
      8      -6.8111      2.00000
      9      -6.7393      2.00000
     10      -6.5211      2.00000
     11      -6.3723      2.00000
     12      -6.0468      2.00000
     13      -5.9365      2.00000
     14      -5.9235      2.00000
     15      -5.7803      2.00000
     16      -5.7349      2.00000
     17      -0.4611      2.00000
     18       0.3814      2.00000
     19       0.9231      2.00000
     20       1.0736      2.00000
     21       2.1392      2.05403
     22       2.2746      1.83208
     23       5.5206      0.00000
     24       5.9187      0.00000

 k-point    14 :       0.0400    0.0400    0.0000
  band No.  band energies     occupation 
      1     -40.3105      2.00000
      2     -40.2945      2.00000
      3     -40.2930      2.00000
      4     -40.2923      2.00000
      5     -40.2907      2.00000
      6     -40.2901      2.00000
      7      -6.7695      2.00000
      8      -6.5087      2.00000
      9      -6.4439      2.00000
     10      -6.4223      2.00000
     11      -6.4090      2.00000
     12      -6.3923      2.00000
     13      -6.1496      2.00000
     14      -6.1303      2.00000
     15      -5.9302      2.00000
     16      -5.8886      2.00000
     17      -5.4109      2.00000
     18      -3.6001      2.00000
     19      -3.1877      2.00000
     20       1.0275      2.00000
     21       1.9933      2.12192
     22       9.1664      0.00000
     23       9.2111      0.00000
     24      11.9024      0.00000

 k-point    15 :       0.0800    0.0400    0.0000
  band No.  band energies     occupation 
      1     -40.3102      2.00000
      2     -40.2958      2.00000
      3     -40.2935      2.00000
      4     -40.2922      2.00000
      5     -40.2917      2.00000
      6     -40.2903      2.00000
      7      -6.7430      2.00000
      8      -6.5045      2.00000
      9      -6.4514      2.00000
     10      -6.4249      2.00000
     11      -6.3745      2.00000
     12      -6.3665      2.00000
     13      -6.1806      2.00000
     14      -6.1384      2.00000
     15      -5.9704      2.00000
     16      -5.8879      2.00000
     17      -5.2727      2.00000
     18      -3.4638      2.00000
     19      -3.0499      2.00000
     20       1.1818      2.00000
     21       2.0982      2.24971
     22       9.2369      0.00000
     23       9.2922      0.00000
     24      10.7647      0.00000

 k-point    16 :       0.1200    0.0400    0.0000
  band No.  band energies     occupation 
      1     -40.3098      2.00000
      2     -40.2976      2.00000
      3     -40.2942      2.00000
      4     -40.2931      2.00000
      5     -40.2922      2.00000
      6     -40.2906      2.00000
      7      -6.7169      2.00000
      8      -6.5101      2.00000
      9      -6.4676      2.00000
     10      -6.4096      2.00000
     11      -6.3398      2.00000
     12      -6.3239      2.00000
     13      -6.2231      2.00000
     14      -6.1437      2.00000
     15      -6.0116      2.00000
     16      -5.8867      2.00000
     17      -5.0639      2.00000
     18      -3.2609      2.00000
     19      -2.8473      2.00000
     20       1.4089      2.00000
     21       2.2564      1.95971
     22       9.0955      0.00000
     23       9.3920      0.00000
     24       9.8713      0.00000

 k-point    17 :       0.1600    0.0400    0.0000
  band No.  band energies     occupation 
      1     -40.3093      2.00000
      2     -40.2998      2.00000
      3     -40.2957      2.00000
      4     -40.2943      2.00000
      5     -40.2923      2.00000
      6     -40.2911      2.00000
      7      -6.7073      2.00000
      8      -6.5331      2.00000
      9      -6.4687      2.00000
     10      -6.3944      2.00000
     11      -6.3189      2.00000
     12      -6.2922      2.00000
     13      -6.2392      2.00000
     14      -6.1368      2.00000
     15      -6.0404      2.00000
     16      -5.8850      2.00000
     17      -4.7820      2.00000
     18      -2.9924      2.00000
     19      -2.5828      2.00000
     20       1.7044      2.00000
     21       2.4686      0.94734
     22       8.1623      0.00000
     23       9.4247      0.00000
     24       9.6357      0.00000

 k-point    18 :       0.2000    0.0400    0.0000
  band No.  band energies     occupation 
      1     -40.3088      2.00000
      2     -40.3023      2.00000
      3     -40.2976      2.00000
      4     -40.2951      2.00000
      5     -40.2926      2.00000
      6     -40.2916      2.00000
      7      -6.7209      2.00000
      8      -6.5743      2.00000
      9      -6.4506      2.00000
     10      -6.4180      2.00000
     11      -6.3171      2.00000
     12      -6.2895      2.00000
     13      -6.1802      2.00000
     14      -6.1139      2.00000
     15      -6.0431      2.00000
     16      -5.8825      2.00000
     17      -4.4263      2.00000
     18      -2.6587      2.00000
     19      -2.2584      2.00000
     20       2.0626      2.00000
     21       2.7350      0.02385
     22       7.0463      0.00000
     23       8.5066      0.00000
     24       8.7023      0.00000

 k-point    19 :       0.2400    0.0400    0.0000
  band No.  band energies     occupation 
      1     -40.3087      2.00000
      2     -40.3049      2.00000
      3     -40.2995      2.00000
      4     -40.2960      2.00000
      5     -40.2929      2.00000
      6     -40.2922      2.00000
      7      -6.7499      2.00000
      8      -6.6224      2.00000
      9      -6.4802      2.00000
     10      -6.4415      2.00000
     11      -6.3180      2.00000
     12      -6.2591      2.00000
     13      -6.1110      2.00000
     14      -6.0857      2.00000
     15      -6.0103      2.00000
     16      -5.8781      2.00000
     17      -3.9977      2.00000
     18      -2.2599      2.00000
     19      -1.8753      2.00000
     20       2.4772      1.88992
     21       3.0533      0.00000
     22       5.9417      0.00000
     23       7.4197      0.00000
     24       7.5640      0.00000

 k-point    20 :       0.2800    0.0400    0.0000
  band No.  band energies     occupation 
      1     -40.3091      2.00000
      2     -40.3073      2.00000
      3     -40.3007      2.00000
      4     -40.2968      2.00000
      5     -40.2933      2.00000
      6     -40.2927      2.00000
      7      -6.7849      2.00000
      8      -6.6714      2.00000
      9      -6.5483      2.00000
     10      -6.4504      2.00000
     11      -6.3285      2.00000
     12      -6.2077      2.00000
     13      -6.0560      2.00000
     14      -6.0447      2.00000
     15      -5.9551      2.00000
     16      -5.8693      2.00000
     17      -3.4978      2.00000
     18      -1.7962      2.00000
     19      -1.4340      2.00000
     20       2.9378      0.14810
     21       3.4072      0.00000
     22       4.8875      0.00000
     23       6.3647      0.00000
     24       6.4619      0.00000

 k-point    21 :       0.3200    0.0400    0.0000
  band No.  band energies     occupation 
      1     -40.3103      2.00000
      2     -40.3093      2.00000
      3     -40.3011      2.00000
      4     -40.2975      2.00000
      5     -40.2938      2.00000
      6     -40.2933      2.00000
      7      -6.8200      2.00000
      8      -6.7171      2.00000
      9      -6.6106      2.00000
     10      -6.4689      2.00000
     11      -6.3428      2.00000
     12      -6.1535      2.00000
     13      -6.0211      2.00000
     14      -5.9927      2.00000
     15      -5.8981      2.00000
     16      -5.8499      2.00000
     17      -2.9289      2.00000
     18      -1.2689      2.00000
     19      -0.9355      2.00000
     20       3.4122     -0.10233
     21       3.5394      0.00000
     22       4.1473      0.00000
     23       5.3647      0.00000
     24       5.4385      0.00000

 k-point    22 :       0.3600    0.0400    0.0000
  band No.  band energies     occupation 
      1     -40.3120      2.00000
      2     -40.3108      2.00000
      3     -40.3010      2.00000
      4     -40.2981      2.00000
      5     -40.2942      2.00000
      6     -40.2937      2.00000
      7      -6.8512      2.00000
      8      -6.7559      2.00000
      9      -6.6622      2.00000
     10      -6.4887      2.00000
     11      -6.3568      2.00000
     12      -6.1073      2.00000
     13      -5.9867      2.00000
     14      -5.9596      2.00000
     15      -5.8523      2.00000
     16      -5.8147      2.00000
     17      -2.2936      2.00000
     18      -0.6806      2.00000
     19      -0.3816      2.00000
     20       2.7055      0.69971
     21       3.7391      0.00000
     22       4.2663      0.00000
     23       4.5527      0.00000
     24       4.7340      0.00000

 k-point    23 :       0.4000    0.0400    0.0000
  band No.  band energies     occupation 
      1     -40.3135      2.00000
      2     -40.3119      2.00000
      3     -40.3005      2.00000
      4     -40.2986      2.00000
      5     -40.2946      2.00000
      6     -40.2941      2.00000
      7      -6.8756      2.00000
      8      -6.7853      2.00000
      9      -6.7006      2.00000
     10      -6.5051      2.00000
     11      -6.3682      2.00000
     12      -6.0738      2.00000
     13      -5.9584      2.00000
     14      -5.9420      2.00000
     15      -5.8178      2.00000
     16      -5.7763      2.00000
     17      -1.5948      2.00000
     18      -0.0383      2.00000
     19       0.2212      2.00000
     20       1.7622      2.05567
     21       3.2330     -0.14011
     22       3.4558      0.00000
     23       4.8201      0.00000
     24       5.0778      0.00000

 k-point    24 :       0.4400    0.0400    0.0000
  band No.  band energies     occupation 
      1     -40.3144      2.00000
      2     -40.3127      2.00000
      3     -40.3001      2.00000
      4     -40.2989      2.00000
      5     -40.2950      2.00000
      6     -40.2944      2.00000
      7      -6.8912      2.00000
      8      -6.8035      2.00000
      9      -6.7242      2.00000
     10      -6.5158      2.00000
     11      -6.3755      2.00000
     12      -6.0540      2.00000
     13      -5.9436      2.00000
     14      -5.9297      2.00000
     15      -5.7948      2.00000
     16      -5.7497      2.00000
     17      -0.8358      2.00000
     18       0.6311      2.00000
     19       0.8255      2.00000
     20       0.8680      2.00000
     21       2.4690      1.62945
     22       2.6388      0.54068
     23       5.3350      0.00000
     24       5.6585      0.00000

 k-point    25 :       0.4800    0.0400    0.0000
  band No.  band energies     occupation 
      1     -40.3148      2.00000
      2     -40.3130      2.00000
      3     -40.3000      2.00000
      4     -40.2990      2.00000
      5     -40.2951      2.00000
      6     -40.2944      2.00000
      7      -6.8966      2.00000
      8      -6.8096      2.00000
      9      -6.7322      2.00000
     10      -6.5195      2.00000
     11      -6.3780      2.00000
     12      -6.0475      2.00000
     13      -5.9403      2.00000
     14      -5.9240      2.00000
     15      -5.7867      2.00000
     16      -5.7403      2.00000
     17      -0.0312      2.00000
     18      -0.0100      2.00000
     19       1.1391      2.00000
     20       1.1834      2.00000
     21       2.0464      2.00000
     22       2.1107      2.27639
     23       5.6342      0.00000
     24       6.0874      0.00000

 k-point    26 :       0.0800    0.0800    0.0000
  band No.  band energies     occupation 
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     22       9.2796      0.00000
     23       9.3310      0.00000
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 k-point    27 :       0.1200    0.0800    0.0000
  band No.  band energies     occupation 
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     11      -6.3173      2.00000
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     18      -3.0589      2.00000
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     20       1.6315      2.00000
     21       2.4156      1.27943
     22       8.7404      0.00000
     23       9.2409      0.00000
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 k-point    28 :       0.1600    0.0800    0.0000
  band No.  band energies     occupation 
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     11      -6.3277      2.00000
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     18      -2.7576      2.00000
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     20       1.9571      2.00000
     21       2.6555      0.11907
     22       7.6570      0.00000
     23       8.8163      0.00000
     24       9.1649      0.00000

 k-point    29 :       0.2000    0.0800    0.0000
  band No.  band energies     occupation 
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     11      -6.3390      2.00000
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     13      -6.1538      2.00000
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     16      -5.8889      2.00000
     17      -4.1358      2.00000
     18      -2.3908      2.00000
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     20       2.3426      1.99944
     21       2.9492      0.00000
     22       6.5438      0.00000
     23       7.9380      0.00000
     24       8.1634      0.00000

 k-point    30 :       0.2400    0.0800    0.0000
  band No.  band energies     occupation 
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     10      -6.4396      2.00000
     11      -6.3308      2.00000
     12      -6.2719      2.00000
     13      -6.1023      2.00000
     14      -6.0474      2.00000
     15      -5.9771      2.00000
     16      -5.8809      2.00000
     17      -3.6705      2.00000
     18      -1.9588      2.00000
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     20       2.7803      0.79815
     21       3.2905      0.00000
     22       5.4617      0.00000
     23       6.9141      0.00000
     24       7.0554      0.00000

 k-point    31 :       0.2800    0.0800    0.0000
  band No.  band energies     occupation 
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     10      -6.4580      2.00000
     11      -6.3410      2.00000
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     15      -5.9352      2.00000
     16      -5.8630      2.00000
     17      -3.1360      2.00000
     18      -1.4624      2.00000
     19      -1.1199      2.00000
     20       3.2554     -0.15470
     21       3.6259      0.00000
     22       4.4737      0.00000
     23       5.9051      0.00000
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 k-point    32 :       0.3200    0.0800    0.0000
  band No.  band energies     occupation 
      1     -40.3110      2.00000
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     10      -6.4770      2.00000
     11      -6.3574      2.00000
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     13      -6.0099      2.00000
     14      -5.9748      2.00000
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     17      -2.5346      2.00000
     18      -0.9036      2.00000
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     20       3.2344     -0.12775
     21       3.7135      0.00000
     22       4.2752      0.00000
     23       4.9580      0.00000
     24       5.0529      0.00000

 k-point    33 :       0.3600    0.0800    0.0000
  band No.  band energies     occupation 
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     11      -6.3732      2.00000
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     13      -5.9826      2.00000
     14      -5.9515      2.00000
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     17      -1.8690      2.00000
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     20       2.3024      1.80959
     21       3.6481     -0.00132
     22       3.9552      0.00000
     23       4.6736      0.00000
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 k-point    34 :       0.4000    0.0800    0.0000
  band No.  band energies     occupation 
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     11      -6.3853      2.00000
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     13      -5.9644      2.00000
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     15      -5.8301      2.00000
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     17      -1.1421      2.00000
     18       0.3751      2.00000
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     21       2.9118      0.10693
     22       3.0991     -0.04959
     23       5.1468      0.00000
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 k-point    35 :       0.4400    0.0800    0.0000
  band No.  band energies     occupation 
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     10      -6.5106      2.00000
     11      -6.3918      2.00000
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     14      -5.9339      2.00000
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     18       0.4793      2.00000
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     20       1.1806      2.00000
     21       2.2236      2.07261
     22       2.3592      1.61573
     23       5.6208      0.00000
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 k-point    36 :       0.1200    0.1200    0.0000
  band No.  band energies     occupation 
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     11      -6.3161      2.00000
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     20       1.9218      2.00000
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     22       8.2791      0.00000
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 k-point    37 :       0.1600    0.1200    0.0000
  band No.  band energies     occupation 
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     11      -6.3496      2.00000
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     20       2.2748      2.00714
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 k-point    38 :       0.2000    0.1200    0.0000
  band No.  band energies     occupation 
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     11      -6.3640      2.00000
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     17      -3.7718      2.00000
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     20       2.6846      1.24421
     21       3.2168      0.00000
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 k-point    39 :       0.2400    0.1200    0.0000
  band No.  band energies     occupation 
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     11      -6.3434      2.00000
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     13      -6.1103      2.00000
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     17      -3.2712      2.00000
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     20       3.1417     -0.14358
     21       3.5733      0.00000
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     23       6.3978      0.00000
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 k-point    40 :       0.2800    0.1200    0.0000
  band No.  band energies     occupation 
      1     -40.3102      2.00000
      2     -40.3091      2.00000
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     10      -6.4571      2.00000
     11      -6.3566      2.00000
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     13      -6.0472      2.00000
     14      -5.9962      2.00000
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     17      -2.7038      2.00000
     18      -1.0615      2.00000
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     20       3.6130     -0.02343
     21       3.7217      0.00000
     22       4.2902      0.00000
     23       5.4920      0.00000
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 k-point    41 :       0.3200    0.1200    0.0000
  band No.  band energies     occupation 
      1     -40.3116      2.00000
      2     -40.3103      2.00000
      3     -40.3015      2.00000
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     10      -6.4759      2.00000
     11      -6.3769      2.00000
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     13      -6.0006      2.00000
     14      -5.9779      2.00000
     15      -5.9171      2.00000
     16      -5.8146      2.00000
     17      -2.0720      2.00000
     18      -0.4728      2.00000
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     20       2.8886      0.21292
     21       3.9372      0.00000
     22       4.4183      0.00000
     23       4.7145      0.00000
     24       4.8753      0.00000

 k-point    42 :       0.3600    0.1200    0.0000
  band No.  band energies     occupation 
      1     -40.3128      2.00000
      2     -40.3113      2.00000
      3     -40.3012      2.00000
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     10      -6.4879      2.00000
     11      -6.3959      2.00000
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     13      -5.9888      2.00000
     14      -5.9517      2.00000
     15      -5.8903      2.00000
     16      -5.7970      2.00000
     17      -1.3787      2.00000
     18       0.1685      2.00000
     19       0.4151      2.00000
     20       1.9539      2.13975
     21       3.4096     -0.06793
     22       3.6294      0.00000
     23       4.9940      0.00000
     24       5.2152      0.00000

 k-point    43 :       0.4000    0.1200    0.0000
  band No.  band energies     occupation 
      1     -40.3137      2.00000
      2     -40.3120      2.00000
      3     -40.3010      2.00000
      4     -40.2998      2.00000
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      8      -6.7801      2.00000
      9      -6.6615      2.00000
     10      -6.4941      2.00000
     11      -6.4092      2.00000
     12      -6.0793      2.00000
     13      -5.9794      2.00000
     14      -5.9504      2.00000
     15      -5.8546      2.00000
     16      -5.7934      2.00000
     17      -0.6271      2.00000
     18       0.8203      2.00000
     19       1.0216      2.00000
     20       1.0914      2.00000
     21       2.6438      1.01733
     22       2.8115      0.04563
     23       5.5222      0.00000
     24       5.7680      0.00000

 k-point    44 :       0.4400    0.1200    0.0000
  band No.  band energies     occupation 
      1     -40.3139      2.00000
      2     -40.3122      2.00000
      3     -40.3009      2.00000
      4     -40.2999      2.00000
      5     -40.2957      2.00000
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      7      -6.8180      2.00000
      8      -6.7865      2.00000
      9      -6.6672      2.00000
     10      -6.4959      2.00000
     11      -6.4141      2.00000
     12      -6.0665      2.00000
     13      -5.9708      2.00000
     14      -5.9570      2.00000
     15      -5.8361      2.00000
     16      -5.7970      2.00000
     17       0.1436      2.00000
     18       0.2151      2.00000
     19       1.3541      2.00000
     20       1.4101      2.00000
     21       2.2042      2.01316
     22       2.2792      2.06492
     23       5.8353      0.00000
     24       6.2809      0.00000

 k-point    45 :       0.1600    0.1600    0.0000
  band No.  band energies     occupation 
      1     -40.3086      2.00000
      2     -40.3048      2.00000
      3     -40.3008      2.00000
      4     -40.2959      2.00000
      5     -40.2939      2.00000
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      7      -6.6769      2.00000
      8      -6.5909      2.00000
      9      -6.5021      2.00000
     10      -6.3929      2.00000
     11      -6.3671      2.00000
     12      -6.3097      2.00000
     13      -6.2090      2.00000
     14      -6.0391      2.00000
     15      -5.9821      2.00000
     16      -5.8983      2.00000
     17      -3.8050      2.00000
     18      -2.0876      2.00000
     19      -1.7144      2.00000
     20       2.6525      1.38511
     21       3.1918      0.00000
     22       6.7023      0.00000
     23       6.7530      0.00000
     24       8.2624      0.00000

 k-point    46 :       0.2000    0.1600    0.0000
  band No.  band energies     occupation 
      1     -40.3089      2.00000
      2     -40.3065      2.00000
      3     -40.3017      2.00000
      4     -40.2968      2.00000
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      7      -6.6870      2.00000
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     10      -6.3990      2.00000
     11      -6.3544      2.00000
     12      -6.3204      2.00000
     13      -6.1743      2.00000
     14      -6.0055      2.00000
     15      -5.9665      2.00000
     16      -5.8805      2.00000
     17      -3.3376      2.00000
     18      -1.6536      2.00000
     19      -1.3040      2.00000
     20       3.0834     -0.11358
     21       3.5342      0.00000
     22       5.6699      0.00000
     23       6.2830      0.00000
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 k-point    47 :       0.2400    0.1600    0.0000
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.3083      2.00000
      3     -40.3022      2.00000
      4     -40.2977      2.00000
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      7      -6.7045      2.00000
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     10      -6.4232      2.00000
     11      -6.3516      2.00000
     12      -6.2961      2.00000
     13      -6.1170      2.00000
     14      -5.9992      2.00000
     15      -5.9534      2.00000
     16      -5.8494      2.00000
     17      -2.8036      2.00000
     18      -1.1555      2.00000
     19      -0.8346      2.00000
     20       3.5538     -0.05471
     21       3.8760      0.00000
     22       4.6919      0.00000
     23       5.7574      0.00000
     24       6.2141      0.00000

 k-point    48 :       0.2800    0.1600    0.0000
  band No.  band energies     occupation 
      1     -40.3107      2.00000
      2     -40.3095      2.00000
      3     -40.3022      2.00000
      4     -40.2985      2.00000
      5     -40.2963      2.00000
      6     -40.2937      2.00000
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     11      -6.3741      2.00000
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     13      -6.0501      2.00000
     14      -6.0024      2.00000
     15      -5.9484      2.00000
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     17      -2.2055      2.00000
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     20       3.5010     -0.00721
     21       4.0107      0.00000
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 k-point    49 :       0.3200    0.1600    0.0000
  band No.  band energies     occupation 
      1     -40.3118      2.00000
      2     -40.3105      2.00000
      3     -40.3022      2.00000
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     10      -6.4609      2.00000
     11      -6.3989      2.00000
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     13      -6.0068      2.00000
     14      -5.9832      2.00000
     15      -5.9522      2.00000
     16      -5.8068      2.00000
     17      -1.5461      2.00000
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     19       0.2742      2.00000
     20       2.5801      1.03850
     21       3.9036      0.00000
     22       4.2097      0.00000
     23       4.9032      0.00000
     24       5.0366      0.00000

 k-point    50 :       0.3600    0.1600    0.0000
  band No.  band energies     occupation 
      1     -40.3127      2.00000
      2     -40.3112      2.00000
      3     -40.3022      2.00000
      4     -40.2998      2.00000
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     10      -6.4685      2.00000
     11      -6.4211      2.00000
     12      -6.1264      2.00000
     13      -6.0088      2.00000
     14      -5.9680      2.00000
     15      -5.9195      2.00000
     16      -5.8090      2.00000
     17      -0.8284      2.00000
     18       0.6750      2.00000
     19       0.8986      2.00000
     20       1.6733      2.00032
     21       3.1663     -0.17276
     22       3.3597      0.00000
     23       5.3700      0.00000
     24       5.4357      0.00000

 k-point    51 :       0.4000    0.1600    0.0000
  band No.  band energies     occupation 
      1     -40.3132      2.00000
      2     -40.3115      2.00000
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      4     -40.3000      2.00000
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     10      -6.4695      2.00000
     11      -6.4359      2.00000
     12      -6.0909      2.00000
     13      -6.0053      2.00000
     14      -5.9867      2.00000
     15      -5.8702      2.00000
     16      -5.8277      2.00000
     17      -0.0581      2.00000
     18       0.7608      2.00000
     19       1.3638      2.00000
     20       1.4949      2.00000
     21       2.4727      1.65856
     22       2.6148      0.21566
     23       5.5023      0.00000
     24       5.8948      0.00000

 k-point    52 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -40.3095      2.00000
      2     -40.3079      2.00000
      3     -40.3024      2.00000
      4     -40.2974      2.00000
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      7      -6.6834      2.00000
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      9      -6.5660      2.00000
     10      -6.4133      2.00000
     11      -6.3419      2.00000
     12      -6.3175      2.00000
     13      -6.1588      2.00000
     14      -5.9973      2.00000
     15      -5.9609      2.00000
     16      -5.8512      2.00000
     17      -2.8365      2.00000
     18      -1.1866      2.00000
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     20       3.5304     -0.06525
     21       3.8845      0.00000
     22       5.2583      0.00000
     23       5.3402      0.00000
     24       6.7915      0.00000

 k-point    53 :       0.2400    0.2000    0.0000
  band No.  band energies     occupation 
      1     -40.3102      2.00000
      2     -40.3090      2.00000
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      9      -6.5780      2.00000
     10      -6.4220      2.00000
     11      -6.3654      2.00000
     12      -6.2809      2.00000
     13      -6.1186      2.00000
     14      -6.0044      2.00000
     15      -5.9610      2.00000
     16      -5.8241      2.00000
     17      -2.2715      2.00000
     18      -0.6573      2.00000
     19      -0.3665      2.00000
     20       3.9860      0.00000
     21       4.0550      0.00000
     22       4.5428      0.00000
     23       4.9524      0.00000
     24       5.8855      0.00000

 k-point    54 :       0.2800    0.2000    0.0000
  band No.  band energies     occupation 
      1     -40.3110      2.00000
      2     -40.3098      2.00000
      3     -40.3031      2.00000
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      9      -6.5861      2.00000
     10      -6.4301      2.00000
     11      -6.3899      2.00000
     12      -6.2379      2.00000
     13      -6.0648      2.00000
     14      -6.0129      2.00000
     15      -5.9677      2.00000
     16      -5.8106      2.00000
     17      -1.6456      2.00000
     18      -0.0700      2.00000
     19       0.1889      2.00000
     20       3.2398     -0.13494
     21       4.2364      0.00000
     22       4.6693      0.00000
     23       4.7289      0.00000
     24       5.0407      0.00000

 k-point    55 :       0.3200    0.2000    0.0000
  band No.  band energies     occupation 
      1     -40.3117      2.00000
      2     -40.3104      2.00000
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     10      -6.4408      2.00000
     11      -6.4105      2.00000
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     13      -6.0388      2.00000
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     15      -5.9695      2.00000
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     17      -0.9619      2.00000
     18       0.5650      2.00000
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     20       2.3311      1.72969
     21       3.6851      0.00000
     22       3.9727      0.00000
     23       4.7768      0.00000
     24       5.2803      0.00000

 k-point    56 :       0.3600    0.2000    0.0000
  band No.  band energies     occupation 
      1     -40.3122      2.00000
      2     -40.3107      2.00000
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     10      -6.4518      2.00000
     11      -6.4230      2.00000
     12      -6.1405      2.00000
     13      -6.0507      2.00000
     14      -6.0075      2.00000
     15      -5.9236      2.00000
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     17      -0.2250      2.00000
     18       1.1595      2.00000
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     20       1.5406      2.00000
     21       2.9635     -0.16076
     22       3.1574      0.00000
     23       4.6988      0.00000
     24       5.7138      0.00000

 k-point    57 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -40.3124      2.00000
      2     -40.3108      2.00000
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     10      -6.4566      2.00000
     11      -6.4270      2.00000
     12      -6.1123      2.00000
     13      -6.0657      2.00000
     14      -6.0136      2.00000
     15      -5.8755      2.00000
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     17       0.4890      2.00000
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     20       1.8445      2.00000
     21       2.5073      1.23404
     22       2.6214      0.00000
     23       4.6641      0.00000
     24       5.8802      0.00000

 k-point    58 :       0.2400    0.2400    0.0000
  band No.  band energies     occupation 
      1     -40.3106      2.00000
      2     -40.3095      2.00000
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     10      -6.4191      2.00000
     11      -6.3871      2.00000
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     13      -6.1090      2.00000
     14      -6.0163      2.00000
     15      -5.9718      2.00000
     16      -5.8115      2.00000
     17      -1.6786      2.00000
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     20       3.7950      0.00000
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     22       4.5023      0.00000
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     24       5.5327      0.00000

 k-point    59 :       0.2800    0.2400    0.0000
  band No.  band energies     occupation 
      1     -40.3110      2.00000
      2     -40.3099      2.00000
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     10      -6.4204      2.00000
     11      -6.3975      2.00000
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     13      -6.0923      2.00000
     14      -6.0260      2.00000
     15      -5.9786      2.00000
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     17      -1.0284      2.00000
     18       0.5087      2.00000
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     20       3.0114      0.02694
     21       3.6980      0.00000
     22       4.5770      0.00000
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     24       5.0994      0.00000

 k-point    60 :       0.3200    0.2400    0.0000
  band No.  band energies     occupation 
      1     -40.3113      2.00000
      2     -40.3100      2.00000
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     10      -6.4390      2.00000
     11      -6.3846      2.00000
     12      -6.1936      2.00000
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     14      -6.0277      2.00000
     15      -5.9624      2.00000
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     17      -0.3252      2.00000
     18       1.1397      2.00000
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     20       2.1624      2.02848
     21       3.3381      0.00000
     22       3.7862      0.00000
     23       4.1304      0.00000
     24       5.1879      0.00000

 k-point    61 :       0.3600    0.2400    0.0000
  band No.  band energies     occupation 
      1     -40.3114      2.00000
      2     -40.3100      2.00000
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     10      -6.4514      2.00000
     11      -6.3755      2.00000
     12      -6.1598      2.00000
     13      -6.1237      2.00000
     14      -6.0296      2.00000
     15      -5.9221      2.00000
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     17       0.4192      2.00000
     18       1.2031      2.00000
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     20       1.9953      2.00000
     21       2.8121     -0.03535
     22       3.0442      0.00000
     23       3.9015      0.00000
     24       5.1967      0.00000

 k-point    62 :       0.2800    0.2800    0.0000
  band No.  band energies     occupation 
      1     -40.3108      2.00000
      2     -40.3098      2.00000
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      7      -6.7015      2.00000
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     10      -6.4101      2.00000
     11      -6.3902      2.00000
     12      -6.2027      2.00000
     13      -6.1304      2.00000
     14      -6.0366      2.00000
     15      -5.9735      2.00000
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     17      -0.3586      2.00000
     18       1.1201      2.00000
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     20       2.7625      0.69697
     21       2.9719      0.00000
     22       4.3179      0.00000
     23       4.3528      0.00000
     24       4.6732      0.00000

 k-point    63 :       0.3200    0.2800    0.0000
  band No.  band energies     occupation 
      1     -40.3105      2.00000
      2     -40.3094      2.00000
      3     -40.3065      2.00000
      4     -40.3021      2.00000
      5     -40.2971      2.00000
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      7      -6.7039      2.00000
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     10      -6.4081      2.00000
     11      -6.3550      2.00000
     12      -6.1972      2.00000
     13      -6.1675      2.00000
     14      -6.0387      2.00000
     15      -5.9522      2.00000
     16      -5.8706      2.00000
     17       0.3551      2.00000
     18       1.6138      2.00000
     19       1.9763      2.00000
     20       2.1762      2.05360
     21       2.7584      0.00000
     22       3.6545      0.00000
     23       3.7680      0.00000
     24       4.4684      0.00000

 k-point    64 :       0.3600    0.2800    0.0000
  band No.  band energies     occupation 
      1     -40.3103      2.00000
      2     -40.3093      2.00000
      3     -40.3069      2.00000
      4     -40.3024      2.00000
      5     -40.2968      2.00000
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      7      -6.7050      2.00000
      8      -6.6044      2.00000
      9      -6.5743      2.00000
     10      -6.4085      2.00000
     11      -6.3300      2.00000
     12      -6.2117      2.00000
     13      -6.1751      2.00000
     14      -6.0380      2.00000
     15      -5.9271      2.00000
     16      -5.8997      2.00000
     17       1.0021      2.00000
     18       1.2124      2.00000
     19       2.2769      2.00000
     20       2.4372      2.00000
     21       2.6814      0.00000
     22       3.1435      0.00000
     23       3.4047      0.00000
     24       4.4255      0.00000

 k-point    65 :       0.3200    0.3200    0.0000
  band No.  band energies     occupation 
      1     -40.3095      2.00000
      2     -40.3090      2.00000
      3     -40.3080      2.00000
      4     -40.3029      2.00000
      5     -40.2966      2.00000
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      7      -6.6966      2.00000
      8      -6.5987      2.00000
      9      -6.5761      2.00000
     10      -6.3458      2.00000
     11      -6.3364      2.00000
     12      -6.2532      2.00000
     13      -6.1890      2.00000
     14      -6.0391      2.00000
     15      -5.9360      2.00000
     16      -5.9057      2.00000
     17       1.0523      2.00000
     18       1.6300      2.00000
     19       2.0733      2.00000
     20       2.5824      2.00000
     21       2.6273      0.00000
     22       3.5400      0.00000
     23       3.5940      0.00000
     24       3.8455      0.00000

 k-point    66 :       0.0000    0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3107      2.00000
      2     -40.2930      2.00000
      3     -40.2926      2.00000
      4     -40.2926      2.00000
      5     -40.2899      2.00000
      6     -40.2899      2.00000
      7      -6.7939      2.00000
      8      -6.5192      2.00000
      9      -6.4369      2.00000
     10      -6.4369      2.00000
     11      -6.4135      2.00000
     12      -6.4135      2.00000
     13      -6.1242      2.00000
     14      -6.1242      2.00000
     15      -5.8897      2.00000
     16      -5.8897      2.00000
     17      -5.4964      2.00000
     18      -3.9537      2.00000
     19      -2.9623      2.00000
     20       0.4006      2.00000
     21       2.4796      1.39094
     22       7.9062      0.00000
     23      10.3569      0.00000
     24      13.2356      0.00000

 k-point    67 :       0.0400    0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3107      2.00000
      2     -40.2936      2.00000
      3     -40.2928      2.00000
      4     -40.2924      2.00000
      5     -40.2902      2.00000
      6     -40.2899      2.00000
      7      -6.7854      2.00000
      8      -6.5146      2.00000
      9      -6.4397      2.00000
     10      -6.4280      2.00000
     11      -6.4162      2.00000
     12      -6.4064      2.00000
     13      -6.1333      2.00000
     14      -6.1258      2.00000
     15      -5.9046      2.00000
     16      -5.8891      2.00000
     17      -5.4613      2.00000
     18      -3.9189      2.00000
     19      -2.9274      2.00000
     20       0.4369      2.00000
     21       2.5087      1.33126
     22       7.9323      0.00000
     23      10.3757      0.00000
     24      12.4562      0.00000

 k-point    68 :       0.0800    0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3105      2.00000
      2     -40.2949      2.00000
      3     -40.2931      2.00000
      4     -40.2922      2.00000
      5     -40.2910      2.00000
      6     -40.2901      2.00000
      7      -6.7627      2.00000
      8      -6.5061      2.00000
      9      -6.4478      2.00000
     10      -6.4197      2.00000
     11      -6.4018      2.00000
     12      -6.3859      2.00000
     13      -6.1600      2.00000
     14      -6.1296      2.00000
     15      -5.9427      2.00000
     16      -5.8876      2.00000
     17      -5.3572      2.00000
     18      -3.8157      2.00000
     19      -2.8236      2.00000
     20       0.5449      2.00000
     21       2.5960      0.96005
     22       8.0081      0.00000
     23      10.4295      0.00000
     24      11.3134      0.00000

 k-point    69 :       0.1200    0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3100      2.00000
      2     -40.2965      2.00000
      3     -40.2936      2.00000
      4     -40.2925      2.00000
      5     -40.2921      2.00000
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      7      -6.7342      2.00000
      8      -6.5034      2.00000
      9      -6.4653      2.00000
     10      -6.4096      2.00000
     11      -6.3635      2.00000
     12      -6.3525      2.00000
     13      -6.2020      2.00000
     14      -6.1317      2.00000
     15      -5.9909      2.00000
     16      -5.8855      2.00000
     17      -5.1842      2.00000
     18      -3.6459      2.00000
     19      -2.6530      2.00000
     20       0.7226      2.00000
     21       2.7411      0.39835
     22       8.1220      0.00000
     23      10.1315      0.00000
     24      10.4844      0.00000

 k-point    70 :       0.1600    0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.2986      2.00000
      3     -40.2943      2.00000
      4     -40.2942      2.00000
      5     -40.2923      2.00000
      6     -40.2909      2.00000
      7      -6.7152      2.00000
      8      -6.5159      2.00000
      9      -6.4775      2.00000
     10      -6.3907      2.00000
     11      -6.3314      2.00000
     12      -6.2990      2.00000
     13      -6.2521      2.00000
     14      -6.1244      2.00000
     15      -6.0361      2.00000
     16      -5.8832      2.00000
     17      -4.9398      2.00000
     18      -3.4113      2.00000
     19      -2.4183      2.00000
     20       0.9668      2.00000
     21       2.9435      0.00508
     22       8.1845      0.00000
     23       9.0603      0.00000
     24       9.9665      0.00000

 k-point    71 :       0.2000    0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3091      2.00000
      2     -40.3010      2.00000
      3     -40.2963      2.00000
      4     -40.2949      2.00000
      5     -40.2925      2.00000
      6     -40.2913      2.00000
      7      -6.7187      2.00000
      8      -6.5539      2.00000
      9      -6.4624      2.00000
     10      -6.3949      2.00000
     11      -6.3130      2.00000
     12      -6.2825      2.00000
     13      -6.2326      2.00000
     14      -6.0977      2.00000
     15      -6.0667      2.00000
     16      -5.8806      2.00000
     17      -4.6218      2.00000
     18      -3.1129      2.00000
     19      -2.1215      2.00000
     20       1.2738      2.00000
     21       3.2021     -0.08266
     22       7.5566      0.00000
     23       8.7156      0.00000
     24       8.8322      0.00000

 k-point    72 :       0.2400    0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3087      2.00000
      2     -40.3035      2.00000
      3     -40.2984      2.00000
      4     -40.2956      2.00000
      5     -40.2927      2.00000
      6     -40.2918      2.00000
      7      -6.7421      2.00000
      8      -6.6015      2.00000
      9      -6.4537      2.00000
     10      -6.4393      2.00000
     11      -6.3110      2.00000
     12      -6.2626      2.00000
     13      -6.1604      2.00000
     14      -6.0749      2.00000
     15      -6.0490      2.00000
     16      -5.8773      2.00000
     17      -4.2298      2.00000
     18      -2.7509      2.00000
     19      -1.7642      2.00000
     20       1.6395      2.00508
     21       3.5134     -0.00080
     22       6.4880      0.00000
     23       7.6475      0.00000
     24       8.4218      0.00000

 k-point    73 :       0.2800    0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3088      2.00000
      2     -40.3061      2.00000
      3     -40.3001      2.00000
      4     -40.2963      2.00000
      5     -40.2931      2.00000
      6     -40.2924      2.00000
      7      -6.7756      2.00000
      8      -6.6515      2.00000
      9      -6.5185      2.00000
     10      -6.4438      2.00000
     11      -6.3199      2.00000
     12      -6.2165      2.00000
     13      -6.0884      2.00000
     14      -6.0611      2.00000
     15      -5.9865      2.00000
     16      -5.8718      2.00000
     17      -3.7651      2.00000
     18      -2.3258      2.00000
     19      -1.3470      2.00000
     20       2.0584      2.06101
     21       3.8655      0.00000
     22       5.4164      0.00000
     23       6.5263      0.00000
     24       7.3822      0.00000

 k-point    74 :       0.3200    0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.3084      2.00000
      3     -40.3010      2.00000
      4     -40.2970      2.00000
      5     -40.2935      2.00000
      6     -40.2929      2.00000
      7      -6.8118      2.00000
      8      -6.6995      2.00000
      9      -6.5857      2.00000
     10      -6.4589      2.00000
     11      -6.3333      2.00000
     12      -6.1646      2.00000
     13      -6.0322      2.00000
     14      -6.0245      2.00000
     15      -5.9211      2.00000
     16      -5.8601      2.00000
     17      -3.2296      2.00000
     18      -1.8381      2.00000
     19      -0.8706      2.00000
     20       2.5193      1.26230
     21       4.0975      0.00000
     22       4.5340      0.00000
     23       5.4569      0.00000
     24       6.3592      0.00000

 k-point    75 :       0.3600    0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3112      2.00000
      2     -40.3101      2.00000
      3     -40.3011      2.00000
      4     -40.2977      2.00000
      5     -40.2939      2.00000
      6     -40.2934      2.00000
      7      -6.8458      2.00000
      8      -6.7419      2.00000
      9      -6.6443      2.00000
     10      -6.4794      2.00000
     11      -6.3472      2.00000
     12      -6.1181      2.00000
     13      -5.9970      2.00000
     14      -5.9776      2.00000
     15      -5.8647      2.00000
     16      -5.8337      2.00000
     17      -2.6258      2.00000
     18      -1.2891      2.00000
     19      -0.3371      2.00000
     20       2.9099      0.19581
     21       3.3826      0.00000
     22       4.4561      0.00000
     23       4.6644      0.00000
     24       5.5097      0.00000

 k-point    76 :       0.4000    0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3129      2.00000
      2     -40.3115      2.00000
      3     -40.3008      2.00000
      4     -40.2982      2.00000
      5     -40.2944      2.00000
      6     -40.2938      2.00000
      7      -6.8743      2.00000
      8      -6.7759      2.00000
      9      -6.6908      2.00000
     10      -6.4989      2.00000
     11      -6.3591      2.00000
     12      -6.0823      2.00000
     13      -5.9632      2.00000
     14      -5.9519      2.00000
     15      -5.8255      2.00000
     16      -5.7912      2.00000
     17      -1.9564      2.00000
     18      -0.6820      2.00000
     19       0.2467      2.00000
     20       2.2295      2.03021
     21       3.3217     -0.04181
     22       3.7826      0.00000
     23       4.2840      0.00000
     24       5.4992      0.00000

 k-point    77 :       0.4400   -0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3141      2.00000
      2     -40.3125      2.00000
      3     -40.3004      2.00000
      4     -40.2985      2.00000
      5     -40.2948      2.00000
      6     -40.2941      2.00000
      7      -6.8949      2.00000
      8      -6.7993      2.00000
      9      -6.7229      2.00000
     10      -6.5135      2.00000
     11      -6.3678      2.00000
     12      -6.0585      2.00000
     13      -5.9406      2.00000
     14      -5.9372      2.00000
     15      -5.7965      2.00000
     16      -5.7546      2.00000
     17      -1.2249      2.00000
     18      -0.0233      2.00000
     19       0.8452      2.00000
     20       1.3115      2.00000
     21       2.5823      1.06185
     22       3.3018     -0.06618
     23       4.4369      0.00000
     24       5.8525      0.00000

 k-point    78 :       0.4800    0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3148      2.00000
      2     -40.3130      2.00000
      3     -40.3001      2.00000
      4     -40.2987      2.00000
      5     -40.2951      2.00000
      6     -40.2943      2.00000
      7      -6.9056      2.00000
      8      -6.8112      2.00000
      9      -6.7394      2.00000
     10      -6.5212      2.00000
     11      -6.3723      2.00000
     12      -6.0465      2.00000
     13      -5.9365      2.00000
     14      -5.9234      2.00000
     15      -5.7803      2.00000
     16      -5.7349      2.00000
     17      -0.4348      2.00000
     18       0.4072      2.00000
     19       0.6616      2.00000
     20       1.2023      2.00000
     21       2.1194      2.01960
     22       2.5458      0.91977
     23       5.0290      0.00000
     24       5.7238      0.00000

 k-point    79 :      -0.4800   -0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3148      2.00000
      2     -40.3130      2.00000
      3     -40.3001      2.00000
      4     -40.2987      2.00000
      5     -40.2951      2.00000
      6     -40.2943      2.00000
      7      -6.9056      2.00000
      8      -6.8111      2.00000
      9      -6.7394      2.00000
     10      -6.5213      2.00000
     11      -6.3723      2.00000
     12      -6.0465      2.00000
     13      -5.9365      2.00000
     14      -5.9237      2.00000
     15      -5.7803      2.00000
     16      -5.7349      2.00000
     17      -0.4351      2.00000
     18       0.4096      2.00000
     19       0.6808      2.00000
     20       1.2010      2.00000
     21       2.0092      2.02478
     22       2.6397      0.66060
     23       5.0055      0.00000
     24       5.7922      0.00000

 k-point    80 :      -0.4400    0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3141      2.00000
      2     -40.3124      2.00000
      3     -40.3004      2.00000
      4     -40.2986      2.00000
      5     -40.2949      2.00000
      6     -40.2941      2.00000
      7      -6.8949      2.00000
      8      -6.7989      2.00000
      9      -6.7230      2.00000
     10      -6.5135      2.00000
     11      -6.3678      2.00000
     12      -6.0583      2.00000
     13      -5.9406      2.00000
     14      -5.9381      2.00000
     15      -5.7965      2.00000
     16      -5.7546      2.00000
     17      -1.2248      2.00000
     18      -0.0004      2.00000
     19       0.8349      2.00000
     20       1.3016      2.00000
     21       2.4701      1.45585
     22       3.4284     -0.03397
     23       4.4317      0.00000
     24       5.9411      0.00000

 k-point    81 :      -0.4000   -0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3129      2.00000
      2     -40.3115      2.00000
      3     -40.3008      2.00000
      4     -40.2982      2.00000
      5     -40.2944      2.00000
      6     -40.2938      2.00000
      7      -6.8744      2.00000
      8      -6.7751      2.00000
      9      -6.6909      2.00000
     10      -6.4989      2.00000
     11      -6.3591      2.00000
     12      -6.0821      2.00000
     13      -5.9648      2.00000
     14      -5.9519      2.00000
     15      -5.8255      2.00000
     16      -5.7912      2.00000
     17      -1.9563      2.00000
     18      -0.6599      2.00000
     19       0.2248      2.00000
     20       2.2225      2.03027
     21       3.1291     -0.08049
     22       4.0255      0.00000
     23       4.3178      0.00000
     24       5.4864      0.00000

 k-point    82 :      -0.3600   -0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3112      2.00000
      2     -40.3101      2.00000
      3     -40.3011      2.00000
      4     -40.2977      2.00000
      5     -40.2939      2.00000
      6     -40.2934      2.00000
      7      -6.8458      2.00000
      8      -6.7409      2.00000
      9      -6.6444      2.00000
     10      -6.4792      2.00000
     11      -6.3472      2.00000
     12      -6.1178      2.00000
     13      -5.9993      2.00000
     14      -5.9776      2.00000
     15      -5.8647      2.00000
     16      -5.8337      2.00000
     17      -2.6257      2.00000
     18      -1.2689      2.00000
     19      -0.3586      2.00000
     20       2.8435      0.37682
     21       3.3697      0.00000
     22       4.5282      0.00000
     23       4.8606      0.00000
     24       5.3664      0.00000

 k-point    83 :      -0.3200    0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.3084      2.00000
      3     -40.3010      2.00000
      4     -40.2970      2.00000
      5     -40.2935      2.00000
      6     -40.2929      2.00000
      7      -6.8119      2.00000
      8      -6.6983      2.00000
      9      -6.5858      2.00000
     10      -6.4583      2.00000
     11      -6.3333      2.00000
     12      -6.1643      2.00000
     13      -6.0352      2.00000
     14      -6.0245      2.00000
     15      -5.9211      2.00000
     16      -5.8601      2.00000
     17      -3.2296      2.00000
     18      -1.8203      2.00000
     19      -0.8894      2.00000
     20       2.4778      1.38365
     21       4.1525      0.00000
     22       4.5718      0.00000
     23       5.4780      0.00000
     24       6.3197      0.00000

 k-point    84 :      -0.2800    0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3089      2.00000
      2     -40.3061      2.00000
      3     -40.3001      2.00000
      4     -40.2963      2.00000
      5     -40.2931      2.00000
      6     -40.2923      2.00000
      7      -6.7757      2.00000
      8      -6.6501      2.00000
      9      -6.5187      2.00000
     10      -6.4427      2.00000
     11      -6.3199      2.00000
     12      -6.2164      2.00000
     13      -6.0884      2.00000
     14      -6.0647      2.00000
     15      -5.9865      2.00000
     16      -5.8718      2.00000
     17      -3.7652      2.00000
     18      -2.3108      2.00000
     19      -1.3624      2.00000
     20       2.0348      2.08201
     21       3.9164      0.00000
     22       5.4251      0.00000
     23       6.5306      0.00000
     24       7.3629      0.00000

 k-point    85 :      -0.2400   -0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3088      2.00000
      2     -40.3035      2.00000
      3     -40.2984      2.00000
      4     -40.2956      2.00000
      5     -40.2927      2.00000
      6     -40.2918      2.00000
      7      -6.7423      2.00000
      8      -6.6001      2.00000
      9      -6.4533      2.00000
     10      -6.4386      2.00000
     11      -6.3110      2.00000
     12      -6.2625      2.00000
     13      -6.1604      2.00000
     14      -6.0788      2.00000
     15      -6.0490      2.00000
     16      -5.8773      2.00000
     17      -4.2301      2.00000
     18      -2.7390      2.00000
     19      -1.7759      2.00000
     20       1.6257      2.00405
     21       3.5429     -0.00095
     22       6.5119      0.00000
     23       7.6411      0.00000
     24       8.3508      0.00000

 k-point    86 :      -0.2000   -0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3092      2.00000
      2     -40.3009      2.00000
      3     -40.2963      2.00000
      4     -40.2949      2.00000
      5     -40.2925      2.00000
      6     -40.2913      2.00000
      7      -6.7189      2.00000
      8      -6.5525      2.00000
      9      -6.4611      2.00000
     10      -6.3957      2.00000
     11      -6.3131      2.00000
     12      -6.2820      2.00000
     13      -6.2326      2.00000
     14      -6.0977      2.00000
     15      -6.0700      2.00000
     16      -5.8806      2.00000
     17      -4.6221      2.00000
     18      -3.1041      2.00000
     19      -2.1297      2.00000
     20       1.2663      2.00000
     21       3.2184     -0.08018
     22       7.6405      0.00000
     23       8.4770      0.00000
     24       8.8265      0.00000

 k-point    87 :      -0.1600    0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.2986      2.00000
      3     -40.2943      2.00000
      4     -40.2942      2.00000
      5     -40.2923      2.00000
      6     -40.2908      2.00000
      7      -6.7154      2.00000
      8      -6.5143      2.00000
      9      -6.4774      2.00000
     10      -6.3910      2.00000
     11      -6.3314      2.00000
     12      -6.2990      2.00000
     13      -6.2520      2.00000
     14      -6.1244      2.00000
     15      -6.0382      2.00000
     16      -5.8832      2.00000
     17      -4.9402      2.00000
     18      -3.4057      2.00000
     19      -2.4232      2.00000
     20       0.9631      2.00000
     21       2.9517      0.00011
     22       8.3050      0.00000
     23       8.7926      0.00000
     24       9.9967      0.00000

 k-point    88 :      -0.1200   -0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3100      2.00000
      2     -40.2965      2.00000
      3     -40.2936      2.00000
      4     -40.2925      2.00000
      5     -40.2921      2.00000
      6     -40.2905      2.00000
      7      -6.7343      2.00000
      8      -6.5024      2.00000
      9      -6.4656      2.00000
     10      -6.4095      2.00000
     11      -6.3635      2.00000
     12      -6.3525      2.00000
     13      -6.2023      2.00000
     14      -6.1317      2.00000
     15      -5.9917      2.00000
     16      -5.8855      2.00000
     17      -5.1846      2.00000
     18      -3.6430      2.00000
     19      -2.6555      2.00000
     20       0.7211      2.00000
     21       2.7445      0.39076
     22       8.1376      0.00000
     23       9.8819      0.00000
     24      10.8567      0.00000

 k-point    89 :      -0.0800    0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3105      2.00000
      2     -40.2949      2.00000
      3     -40.2931      2.00000
      4     -40.2923      2.00000
      5     -40.2910      2.00000
      6     -40.2901      2.00000
      7      -6.7627      2.00000
      8      -6.5058      2.00000
      9      -6.4479      2.00000
     10      -6.4195      2.00000
     11      -6.4018      2.00000
     12      -6.3859      2.00000
     13      -6.1603      2.00000
     14      -6.1296      2.00000
     15      -5.9428      2.00000
     16      -5.8876      2.00000
     17      -5.3574      2.00000
     18      -3.8147      2.00000
     19      -2.8244      2.00000
     20       0.5445      2.00000
     21       2.5970      0.95616
     22       8.0106      0.00000
     23      10.3704      0.00000
     24      11.4483      0.00000

 k-point    90 :      -0.0400    0.0000    0.1429
  band No.  band energies     occupation 
      1     -40.3107      2.00000
      2     -40.2937      2.00000
      3     -40.2928      2.00000
      4     -40.2924      2.00000
      5     -40.2902      2.00000
      6     -40.2900      2.00000
      7      -6.7854      2.00000
      8      -6.5146      2.00000
      9      -6.4397      2.00000
     10      -6.4280      2.00000
     11      -6.4161      2.00000
     12      -6.4064      2.00000
     13      -6.1334      2.00000
     14      -6.1258      2.00000
     15      -5.9046      2.00000
     16      -5.8891      2.00000
     17      -5.4613      2.00000
     18      -3.9188      2.00000
     19      -2.9275      2.00000
     20       0.4368      2.00000
     21       2.5089      1.33100
     22       7.9325      0.00000
     23      10.3719      0.00000
     24      12.5414      0.00000

 k-point    91 :       0.0400    0.0400    0.1429
  band No.  band energies     occupation 
      1     -40.3106      2.00000
      2     -40.2945      2.00000
      3     -40.2931      2.00000
      4     -40.2923      2.00000
      5     -40.2907      2.00000
      6     -40.2901      2.00000
      7      -6.7697      2.00000
      8      -6.5080      2.00000
      9      -6.4439      2.00000
     10      -6.4223      2.00000
     11      -6.4090      2.00000
     12      -6.3923      2.00000
     13      -6.1499      2.00000
     14      -6.1303      2.00000
     15      -5.9302      2.00000
     16      -5.8886      2.00000
     17      -5.3918      2.00000
     18      -3.8496      2.00000
     19      -2.8584      2.00000
     20       0.5089      2.00000
     21       2.5673      1.09031
     22       7.9840      0.00000
     23      10.3990      0.00000
     24      11.8927      0.00000

 k-point    92 :       0.0800    0.0400    0.1429
  band No.  band energies     occupation 
      1     -40.3102      2.00000
      2     -40.2959      2.00000
      3     -40.2935      2.00000
      4     -40.2922      2.00000
      5     -40.2918      2.00000
      6     -40.2903      2.00000
      7      -6.7432      2.00000
      8      -6.5042      2.00000
      9      -6.4512      2.00000
     10      -6.4250      2.00000
     11      -6.3744      2.00000
     12      -6.3664      2.00000
     13      -6.1808      2.00000
     14      -6.1384      2.00000
     15      -5.9702      2.00000
     16      -5.8879      2.00000
     17      -5.2533      2.00000
     18      -3.7130      2.00000
     19      -2.7213      2.00000
     20       0.6516      2.00000
     21       2.6837      0.57990
     22       8.0815      0.00000
     23      10.4357      0.00000
     24      10.7240      0.00000

 k-point    93 :       0.1200    0.0400    0.1429
  band No.  band energies     occupation 
      1     -40.3098      2.00000
      2     -40.2977      2.00000
      3     -40.2943      2.00000
      4     -40.2932      2.00000
      5     -40.2922      2.00000
      6     -40.2907      2.00000
      7      -6.7171      2.00000
      8      -6.5104      2.00000
      9      -6.4674      2.00000
     10      -6.4095      2.00000
     11      -6.3396      2.00000
     12      -6.3240      2.00000
     13      -6.2234      2.00000
     14      -6.1437      2.00000
     15      -6.0108      2.00000
     16      -5.8868      2.00000
     17      -5.0443      2.00000
     18      -3.5108      2.00000
     19      -2.5188      2.00000
     20       0.8625      2.00000
     21       2.8577      0.14071
     22       8.1962      0.00000
     23       9.5726      0.00000
     24      10.3821      0.00000

 k-point    94 :       0.1600    0.0400    0.1429
  band No.  band energies     occupation 
      1     -40.3093      2.00000
      2     -40.2998      2.00000
      3     -40.2957      2.00000
      4     -40.2943      2.00000
      5     -40.2923      2.00000
      6     -40.2912      2.00000
      7      -6.7074      2.00000
      8      -6.5339      2.00000
      9      -6.4688      2.00000
     10      -6.3941      2.00000
     11      -6.3187      2.00000
     12      -6.2927      2.00000
     13      -6.2392      2.00000
     14      -6.1366      2.00000
     15      -6.0389      2.00000
     16      -5.8850      2.00000
     17      -4.7623      2.00000
     18      -3.2443      2.00000
     19      -2.2532      2.00000
     20       1.1380      2.00000
     21       3.0886     -0.09383
     22       8.0156      0.00000
     23       8.7787      0.00000
     24       9.4135      0.00000

 k-point    95 :       0.2000    0.0400    0.1429
  band No.  band energies     occupation 
      1     -40.3089      2.00000
      2     -40.3023      2.00000
      3     -40.2976      2.00000
      4     -40.2952      2.00000
      5     -40.2926      2.00000
      6     -40.2917      2.00000
      7      -6.7210      2.00000
      8      -6.5752      2.00000
      9      -6.4512      2.00000
     10      -6.4178      2.00000
     11      -6.3170      2.00000
     12      -6.2897      2.00000
     13      -6.1802      2.00000
     14      -6.1131      2.00000
     15      -6.0416      2.00000
     16      -5.8825      2.00000
     17      -4.4065      2.00000
     18      -2.9141      2.00000
     19      -1.9263      2.00000
     20       1.4743      2.00000
     21       3.3744     -0.02574
     22       7.0479      0.00000
     23       8.2393      0.00000
     24       8.7508      0.00000

 k-point    96 :       0.2400    0.0400    0.1429
  band No.  band energies     occupation 
      1     -40.3087      2.00000
      2     -40.3049      2.00000
      3     -40.2995      2.00000
      4     -40.2960      2.00000
      5     -40.2929      2.00000
      6     -40.2922      2.00000
      7      -6.7499      2.00000
      8      -6.6233      2.00000
      9      -6.4802      2.00000
     10      -6.4422      2.00000
     11      -6.3179      2.00000
     12      -6.2591      2.00000
     13      -6.1109      2.00000
     14      -6.0839      2.00000
     15      -6.0095      2.00000
     16      -5.8782      2.00000
     17      -3.9775      2.00000
     18      -2.5204      2.00000
     19      -1.5390      2.00000
     20       1.8669      2.06412
     21       3.7092      0.00000
     22       5.9653      0.00000
     23       7.1006      0.00000
     24       7.9150      0.00000

 k-point    97 :       0.2800    0.0400    0.1429
  band No.  band energies     occupation 
      1     -40.3091      2.00000
      2     -40.3073      2.00000
      3     -40.3007      2.00000
      4     -40.2968      2.00000
      5     -40.2933      2.00000
      6     -40.2927      2.00000
      7      -6.7849      2.00000
      8      -6.6723      2.00000
      9      -6.5483      2.00000
     10      -6.4511      2.00000
     11      -6.3284      2.00000
     12      -6.2077      2.00000
     13      -6.0539      2.00000
     14      -6.0447      2.00000
     15      -5.9548      2.00000
     16      -5.8693      2.00000
     17      -3.4770      2.00000
     18      -2.0638      2.00000
     19      -1.0920      2.00000
     20       2.3090      1.83490
     21       4.0610      0.00000
     22       4.9301      0.00000
     23       6.0048      0.00000
     24       6.8725      0.00000

 k-point    98 :       0.3200    0.0400    0.1429
  band No.  band energies     occupation 
      1     -40.3103      2.00000
      2     -40.3093      2.00000
      3     -40.3012      2.00000
      4     -40.2975      2.00000
      5     -40.2938      2.00000
      6     -40.2933      2.00000
      7      -6.8200      2.00000
      8      -6.7178      2.00000
      9      -6.6105      2.00000
     10      -6.4693      2.00000
     11      -6.3427      2.00000
     12      -6.1534      2.00000
     13      -6.0194      2.00000
     14      -5.9926      2.00000
     15      -5.8980      2.00000
     16      -5.8499      2.00000
     17      -2.9072      2.00000
     18      -1.5452      2.00000
     19      -0.5866      2.00000
     20       2.7743      0.52069
     21       3.7901      0.00000
     22       4.5792      0.00000
     23       4.9684      0.00000
     24       5.9063      0.00000

 k-point    99 :       0.3600    0.0400    0.1429
  band No.  band energies     occupation 
      1     -40.3120      2.00000
      2     -40.3108      2.00000
      3     -40.3010      2.00000
      4     -40.2981      2.00000
      5     -40.2943      2.00000
      6     -40.2937      2.00000
      7      -6.8511      2.00000
      8      -6.7565      2.00000
      9      -6.6621      2.00000
     10      -6.4889      2.00000
     11      -6.3568      2.00000
     12      -6.1072      2.00000
     13      -5.9856      2.00000
     14      -5.9594      2.00000
     15      -5.8523      2.00000
     16      -5.8147      2.00000
     17      -2.2707      2.00000
     18      -0.9667      2.00000
     19      -0.0262      2.00000
     20       2.6986      0.97882
     21       3.3777      0.00000
     22       4.0375      0.00000
     23       4.5888      0.00000
     24       5.3965      0.00000

 k-point   100 :       0.4000    0.0400    0.1429
  band No.  band energies     occupation 
      1     -40.3135      2.00000
      2     -40.3119      2.00000
      3     -40.3006      2.00000
      4     -40.2986      2.00000
      5     -40.2946      2.00000
      6     -40.2941      2.00000
      7      -6.8756      2.00000
      8      -6.7857      2.00000
      9      -6.7006      2.00000
     10      -6.5053      2.00000
     11      -6.3682      2.00000
     12      -6.0736      2.00000
     13      -5.9580      2.00000
     14      -5.9417      2.00000
     15      -5.8178      2.00000
     16      -5.7763      2.00000
     17      -1.5706      2.00000
     18      -0.3325      2.00000
     19       0.5747      2.00000
     20       1.7911      2.03054
     21       2.9923     -0.08894
     22       3.6789      0.00000
     23       4.2254      0.00000
     24       5.7139      0.00000

 k-point   101 :       0.4400    0.0400    0.1429
  band No.  band energies     occupation 
      1     -40.3144      2.00000
      2     -40.3127      2.00000
      3     -40.3002      2.00000
      4     -40.2989      2.00000
      5     -40.2950      2.00000
      6     -40.2944      2.00000
      7      -6.8912      2.00000
      8      -6.8037      2.00000
      9      -6.7242      2.00000
     10      -6.5159      2.00000
     11      -6.3755      2.00000
     12      -6.0538      2.00000
     13      -5.9436      2.00000
     14      -5.9294      2.00000
     15      -5.7948      2.00000
     16      -5.7497      2.00000
     17      -0.8101      2.00000
     18       0.3455      2.00000
     19       0.8618      2.00000
     20       1.1520      2.00000
     21       2.2757      1.99127
     22       2.9372     -0.00696
     23       4.7518      0.00000
     24       5.9011      0.00000

 k-point   102 :       0.4800    0.0400    0.1429
  band No.  band energies     occupation 
      1     -40.3148      2.00000
      2     -40.3130      2.00000
      3     -40.3000      2.00000
      4     -40.2990      2.00000
      5     -40.2951      2.00000
      6     -40.2944      2.00000
      7      -6.8966      2.00000
      8      -6.8097      2.00000
      9      -6.7322      2.00000
     10      -6.5196      2.00000
     11      -6.3780      2.00000
     12      -6.0472      2.00000
     13      -5.9403      2.00000
     14      -5.9240      2.00000
     15      -5.7867      2.00000
     16      -5.7403      2.00000
     17      -0.0064      2.00000
     18       0.0189      2.00000
     19       0.9571      2.00000
     20       1.0913      2.00000
     21       2.1838      2.00000
     22       2.3672      1.49316
     23       5.2177      0.00000
     24       5.6260      0.00000

 k-point   103 :      -0.4800    0.0400    0.1429
  band No.  band energies     occupation 
      1     -40.3144      2.00000
      2     -40.3127      2.00000
      3     -40.3001      2.00000
      4     -40.2989      2.00000
      5     -40.2950      2.00000
      6     -40.2944      2.00000
      7      -6.8912      2.00000
      8      -6.8034      2.00000
      9      -6.7242      2.00000
     10      -6.5160      2.00000
     11      -6.3755      2.00000
     12      -6.0537      2.00000
     13      -5.9437      2.00000
     14      -5.9299      2.00000
     15      -5.7948      2.00000
     16      -5.7497      2.00000
     17      -0.8103      2.00000
     18       0.3672      2.00000
     19       0.8746      2.00000
     20       1.1315      2.00000
     21       2.1656      2.03886
     22       3.0414     -0.07918
     23       4.7407      0.00000
     24       5.9975      0.00000

 k-point   104 :      -0.4400    0.0400    0.1429
  band No.  band energies     occupation 
      1     -40.3135      2.00000
      2     -40.3119      2.00000
      3     -40.3006      2.00000
      4     -40.2986      2.00000
      5     -40.2947      2.00000
      6     -40.2941      2.00000
      7      -6.8756      2.00000
      8      -6.7851      2.00000
      9      -6.7006      2.00000
     10      -6.5053      2.00000
     11      -6.3682      2.00000
     12      -6.0734      2.00000
     13      -5.9587      2.00000
     14      -5.9421      2.00000
     15      -5.8178      2.00000
     16      -5.7763      2.00000
     17      -1.5705      2.00000
     18      -0.3103      2.00000
     19       0.5564      2.00000
     20       1.7850      2.03667
     21       2.8526      0.17673
     22       3.8757      0.00000
     23       4.2098      0.00000
     24       5.7558      0.00000

 k-point   105 :      -0.4000    0.0400    0.1429
  band No.  band energies     occupation 
      1     -40.3120      2.00000
      2     -40.3108      2.00000
      3     -40.3010      2.00000
      4     -40.2981      2.00000
      5     -40.2942      2.00000
      6     -40.2937      2.00000
      7      -6.8512      2.00000
      8      -6.7556      2.00000
      9      -6.6622      2.00000
     10      -6.4888      2.00000
     11      -6.3568      2.00000
     12      -6.1069      2.00000
     13      -5.9873      2.00000
     14      -5.9597      2.00000
     15      -5.8523      2.00000
     16      -5.8147      2.00000
     17      -2.2707      2.00000
     18      -0.9461      2.00000
     19      -0.0475      2.00000
     20       2.6795      1.07632
     21       3.2501     -0.01138
     22       4.1814      0.00000
     23       4.7605      0.00000
     24       5.2824      0.00000

 k-point   106 :      -0.3600    0.0400    0.1429
  band No.  band energies     occupation 
      1     -40.3103      2.00000
      2     -40.3094      2.00000
      3     -40.3012      2.00000
      4     -40.2975      2.00000
      5     -40.2938      2.00000
      6     -40.2933      2.00000
      7      -6.8200      2.00000
      8      -6.7167      2.00000
      9      -6.6106      2.00000
     10      -6.4690      2.00000
     11      -6.3428      2.00000
     12      -6.1532      2.00000
     13      -6.0218      2.00000
     14      -5.9928      2.00000
     15      -5.8981      2.00000
     16      -5.8499      2.00000
     17      -2.9072      2.00000
     18      -1.5269      2.00000
     19      -0.6060      2.00000
     20       2.7186      0.67094
     21       3.8056      0.00000
     22       4.6917      0.00000
     23       5.0020      0.00000
     24       5.8413      0.00000

 k-point   107 :      -0.3200    0.0400    0.1429
  band No.  band energies     occupation 
      1     -40.3091      2.00000
      2     -40.3073      2.00000
      3     -40.3008      2.00000
      4     -40.2968      2.00000
      5     -40.2933      2.00000
      6     -40.2928      2.00000
      7      -6.7850      2.00000
      8      -6.6710      2.00000
      9      -6.5484      2.00000
     10      -6.4503      2.00000
     11      -6.3285      2.00000
     12      -6.2076      2.00000
     13      -6.0568      2.00000
     14      -6.0447      2.00000
     15      -5.9551      2.00000
     16      -5.8692      2.00000
     17      -3.4770      2.00000
     18      -2.0482      2.00000
     19      -1.1083      2.00000
     20       2.2788      1.87203
     21       4.1247      0.00000
     22       4.9368      0.00000
     23       6.0109      0.00000
     24       6.8579      0.00000

 k-point   108 :      -0.2800    0.0400    0.1429
  band No.  band energies     occupation 
      1     -40.3087      2.00000
      2     -40.3048      2.00000
      3     -40.2995      2.00000
      4     -40.2960      2.00000
      5     -40.2929      2.00000
      6     -40.2923      2.00000
      7      -6.7501      2.00000
      8      -6.6219      2.00000
      9      -6.4804      2.00000
     10      -6.4410      2.00000
     11      -6.3180      2.00000
     12      -6.2590      2.00000
     13      -6.1112      2.00000
     14      -6.0863      2.00000
     15      -6.0104      2.00000
     16      -5.8781      2.00000
     17      -3.9776      2.00000
     18      -2.5078      2.00000
     19      -1.5517      2.00000
     20       1.8497      2.05860
     21       3.7462      0.00000
     22       5.9806      0.00000
     23       7.0914      0.00000
     24       7.9064      0.00000

 k-point   109 :      -0.2400    0.0400    0.1429
  band No.  band energies     occupation 
      1     -40.3089      2.00000
      2     -40.3023      2.00000
      3     -40.2977      2.00000
      4     -40.2951      2.00000
      5     -40.2926      2.00000
      6     -40.2917      2.00000
      7      -6.7212      2.00000
      8      -6.5738      2.00000
      9      -6.4499      2.00000
     10      -6.4183      2.00000
     11      -6.3172      2.00000
     12      -6.2893      2.00000
     13      -6.1802      2.00000
     14      -6.1144      2.00000
     15      -6.0436      2.00000
     16      -5.8824      2.00000
     17      -4.4067      2.00000
     18      -2.9047      2.00000
     19      -1.9354      2.00000
     20       1.4647      2.00000
     21       3.3950     -0.02973
     22       7.0907      0.00000
     23       8.2117      0.00000
     24       8.5563      0.00000

 k-point   110 :      -0.2000    0.0400    0.1429
  band No.  band energies     occupation 
      1     -40.3093      2.00000
      2     -40.2998      2.00000
      3     -40.2957      2.00000
      4     -40.2943      2.00000
      5     -40.2923      2.00000
      6     -40.2912      2.00000
      7      -6.7077      2.00000
      8      -6.5324      2.00000
      9      -6.4683      2.00000
     10      -6.3944      2.00000
     11      -6.3192      2.00000
     12      -6.2921      2.00000
     13      -6.2392      2.00000
     14      -6.1370      2.00000
     15      -6.0410      2.00000
     16      -5.8850      2.00000
     17      -4.7626      2.00000
     18      -3.2381      2.00000
     19      -2.2589      2.00000
     20       1.1332      2.00000
     21       3.0991     -0.09024
     22       8.2288      0.00000
     23       8.4150      0.00000
     24       9.3747      0.00000

 k-point   111 :      -0.1600    0.0400    0.1429
  band No.  band energies     occupation 
      1     -40.3098      2.00000
      2     -40.2977      2.00000
      3     -40.2943      2.00000
      4     -40.2932      2.00000
      5     -40.2922      2.00000
      6     -40.2907      2.00000
      7      -6.7172      2.00000
      8      -6.5092      2.00000
      9      -6.4677      2.00000
     10      -6.4094      2.00000
     11      -6.3399      2.00000
     12      -6.3239      2.00000
     13      -6.2235      2.00000
     14      -6.1437      2.00000
     15      -6.0120      2.00000
     16      -5.8867      2.00000
     17      -5.0445      2.00000
     18      -3.5075      2.00000
     19      -2.5217      2.00000
     20       0.8605      2.00000
     21       2.8621      0.13515
     22       8.2328      0.00000
     23       9.3749      0.00000
     24      10.4652      0.00000

 k-point   112 :      -0.1200    0.0400    0.1429
  band No.  band energies     occupation 
      1     -40.3102      2.00000
      2     -40.2959      2.00000
      3     -40.2935      2.00000
      4     -40.2922      2.00000
      5     -40.2917      2.00000
      6     -40.2903      2.00000
      7      -6.7432      2.00000
      8      -6.5038      2.00000
      9      -6.4515      2.00000
     10      -6.4247      2.00000
     11      -6.3745      2.00000
     12      -6.3664      2.00000
     13      -6.1810      2.00000
     14      -6.1384      2.00000
     15      -5.9705      2.00000
     16      -5.8879      2.00000
     17      -5.2535      2.00000
     18      -3.7119      2.00000
     19      -2.7222      2.00000
     20       0.6511      2.00000
     21       2.6849      0.57595
     22       8.0859      0.00000
     23      10.2694      0.00000
     24      11.0469      0.00000

 k-point   113 :       0.0800    0.0800    0.1429
  band No.  band energies     occupation 
      1     -40.3099      2.00000
      2     -40.2973      2.00000
      3     -40.2943      2.00000
      4     -40.2928      2.00000
      5     -40.2922      2.00000
      6     -40.2907      2.00000
      7      -6.7169      2.00000
      8      -6.5120      2.00000
      9      -6.4426      2.00000
     10      -6.4374      2.00000
     11      -6.3404      2.00000
     12      -6.3330      2.00000
     13      -6.2043      2.00000
     14      -6.1612      2.00000
     15      -5.9979      2.00000
     16      -5.8900      2.00000
     17      -5.0787      2.00000
     18      -3.5428      2.00000
     19      -2.5535      2.00000
     20       0.8268      2.00000
     21       2.8307      0.19372
     22       8.1988      0.00000
     23       9.9506      0.00000
     24      10.1454      0.00000

 k-point   114 :       0.1200    0.0800    0.1429
  band No.  band energies     occupation 
      1     -40.3094      2.00000
      2     -40.2991      2.00000
      3     -40.2957      2.00000
      4     -40.2937      2.00000
      5     -40.2923      2.00000
      6     -40.2912      2.00000
      7      -6.6956      2.00000
      8      -6.5286      2.00000
      9      -6.4539      2.00000
     10      -6.4216      2.00000
     11      -6.3168      2.00000
     12      -6.3025      2.00000
     13      -6.2182      2.00000
     14      -6.1786      2.00000
     15      -6.0156      2.00000
     16      -5.8918      2.00000
     17      -4.8311      2.00000
     18      -3.3087      2.00000
     19      -2.3205      2.00000
     20       1.0687      2.00000
     21       3.0338     -0.07519
     22       8.2615      0.00000
     23       9.0905      0.00000
     24       9.4901      0.00000

 k-point   115 :       0.1600    0.0800    0.1429
  band No.  band energies     occupation 
      1     -40.3089      2.00000
      2     -40.3014      2.00000
      3     -40.2974      2.00000
      4     -40.2946      2.00000
      5     -40.2925      2.00000
      6     -40.2917      2.00000
      7      -6.6938      2.00000
      8      -6.5543      2.00000
      9      -6.4549      2.00000
     10      -6.4110      2.00000
     11      -6.3278      2.00000
     12      -6.3005      2.00000
     13      -6.1944      2.00000
     14      -6.1547      2.00000
     15      -6.0198      2.00000
     16      -5.8918      2.00000
     17      -4.5099      2.00000
     18      -3.0103      2.00000
     19      -2.0249      2.00000
     20       1.3734      2.00000
     21       3.2931     -0.05318
     22       7.6240      0.00000
     23       8.7644      0.00000
     24       8.8488      0.00000

 k-point   116 :       0.2000    0.0800    0.1429
  band No.  band energies     occupation 
      1     -40.3087      2.00000
      2     -40.3038      2.00000
      3     -40.2992      2.00000
      4     -40.2956      2.00000
      5     -40.2929      2.00000
      6     -40.2923      2.00000
      7      -6.7130      2.00000
      8      -6.5929      2.00000
      9      -6.4597      2.00000
     10      -6.4256      2.00000
     11      -6.3389      2.00000
     12      -6.2959      2.00000
     13      -6.1533      2.00000
     14      -6.0993      2.00000
     15      -6.0074      2.00000
     16      -5.8890      2.00000
     17      -4.1157      2.00000
     18      -2.6483      2.00000
     19      -1.6682      2.00000
     20       1.7368      2.03054
     21       3.6053      0.00000
     22       6.5576      0.00000
     23       7.7161      0.00000
     24       8.3199      0.00000

 k-point   117 :       0.2400    0.0800    0.1429
  band No.  band energies     occupation 
      1     -40.3088      2.00000
      2     -40.3061      2.00000
      3     -40.3006      2.00000
      4     -40.2965      2.00000
      5     -40.2934      2.00000
      6     -40.2927      2.00000
      7      -6.7435      2.00000
      8      -6.6387      2.00000
      9      -6.5098      2.00000
     10      -6.4402      2.00000
     11      -6.3306      2.00000
     12      -6.2720      2.00000
     13      -6.1013      2.00000
     14      -6.0473      2.00000
     15      -5.9760      2.00000
     16      -5.8811      2.00000
     17      -3.6499      2.00000
     18      -2.2228      2.00000
     19      -1.2510      2.00000
     20       2.1540      2.03953
     21       3.9584      0.00000
     22       5.4901      0.00000
     23       6.6051      0.00000
     24       7.3840      0.00000

 k-point   118 :       0.2800    0.0800    0.1429
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.3083      2.00000
      3     -40.3013      2.00000
      4     -40.2974      2.00000
      5     -40.2940      2.00000
      6     -40.2931      2.00000
      7      -6.7770      2.00000
      8      -6.6853      2.00000
      9      -6.5687      2.00000
     10      -6.4584      2.00000
     11      -6.3409      2.00000
     12      -6.2172      2.00000
     13      -6.0493      2.00000
     14      -6.0075      2.00000
     15      -5.9347      2.00000
     16      -5.8632      2.00000
     17      -3.1146      2.00000
     18      -1.7348      2.00000
     19      -0.7743      2.00000
     20       2.6141      0.96674
     21       4.1899      0.00000
     22       4.6128      0.00000
     23       5.5407      0.00000
     24       6.4024      0.00000

 k-point   119 :       0.3200    0.0800    0.1429
  band No.  band energies     occupation 
      1     -40.3110      2.00000
      2     -40.3099      2.00000
      3     -40.3013      2.00000
      4     -40.2981      2.00000
      5     -40.2944      2.00000
      6     -40.2936      2.00000
      7      -6.8087      2.00000
      8      -6.7278      2.00000
      9      -6.6207      2.00000
     10      -6.4773      2.00000
     11      -6.3574      2.00000
     12      -6.1585      2.00000
     13      -6.0087      2.00000
     14      -5.9747      2.00000
     15      -5.8970      2.00000
     16      -5.8328      2.00000
     17      -2.5121      2.00000
     18      -1.1858      2.00000
     19      -0.2402      2.00000
     20       3.0081     -0.04685
     21       3.4653      0.00000
     22       4.5430      0.00000
     23       4.7513      0.00000
     24       5.5726      0.00000

 k-point   120 :       0.3600    0.0800    0.1429
  band No.  band energies     occupation 
      1     -40.3126      2.00000
      2     -40.3112      2.00000
      3     -40.3009      2.00000
      4     -40.2988      2.00000
      5     -40.2948      2.00000
      6     -40.2941      2.00000
      7      -6.8354      2.00000
      8      -6.7625      2.00000
      9      -6.6616      2.00000
     10      -6.4934      2.00000
     11      -6.3732      2.00000
     12      -6.1084      2.00000
     13      -5.9820      2.00000
     14      -5.9512      2.00000
     15      -5.8614      2.00000
     16      -5.8004      2.00000
     17      -1.8451      2.00000
     18      -0.5789      2.00000
     19       0.3443      2.00000
     20       2.3249      1.88321
     21       3.4113     -0.02312
     22       3.8765      0.00000
     23       4.3549      0.00000
     24       5.5822      0.00000

 k-point   121 :       0.4000    0.0800    0.1429
  band No.  band energies     occupation 
      1     -40.3138      2.00000
      2     -40.3121      2.00000
      3     -40.3005      2.00000
      4     -40.2993      2.00000
      5     -40.2950      2.00000
      6     -40.2945      2.00000
      7      -6.8547      2.00000
      8      -6.7869      2.00000
      9      -6.6898      2.00000
     10      -6.5048      2.00000
     11      -6.3853      2.00000
     12      -6.0735      2.00000
     13      -5.9643      2.00000
     14      -5.9383      2.00000
     15      -5.8301      2.00000
     16      -5.7764      2.00000
     17      -1.1167      2.00000
     18       0.0794      2.00000
     19       0.9414      2.00000
     20       1.4144      2.00000
     21       2.6704      0.70623
     22       3.3917     -0.04276
     23       4.5138      0.00000
     24       5.9476      0.00000

 k-point   122 :       0.4400    0.0800    0.1429
  band No.  band energies     occupation 
      1     -40.3144      2.00000
      2     -40.3126      2.00000
      3     -40.3001      2.00000
      4     -40.2997      2.00000
      5     -40.2951      2.00000
      6     -40.2949      2.00000
      7      -6.8649      2.00000
      8      -6.7994      2.00000
      9      -6.7040      2.00000
     10      -6.5107      2.00000
     11      -6.3918      2.00000
     12      -6.0561      2.00000
     13      -5.9539      2.00000
     14      -5.9337      2.00000
     15      -5.8116      2.00000
     16      -5.7645      2.00000
     17      -0.3307      2.00000
     18       0.5051      2.00000
     19       0.7666      2.00000
     20       1.3121      2.00000
     21       2.2030      2.06921
     22       2.6338      0.48327
     23       5.1084      0.00000
     24       5.8185      0.00000

 k-point   123 :       0.4800    0.0800    0.1429
  band No.  band energies     occupation 
      1     -40.3144      2.00000
      2     -40.3126      2.00000
      3     -40.3001      2.00000
      4     -40.2997      2.00000
      5     -40.2950      2.00000
      6     -40.2949      2.00000
      7      -6.8649      2.00000
      8      -6.7992      2.00000
      9      -6.7041      2.00000
     10      -6.5107      2.00000
     11      -6.3918      2.00000
     12      -6.0561      2.00000
     13      -5.9539      2.00000
     14      -5.9339      2.00000
     15      -5.8116      2.00000
     16      -5.7645      2.00000
     17      -0.3318      2.00000
     18       0.5091      2.00000
     19       0.7841      2.00000
     20       1.3147      2.00000
     21       2.0866      2.05482
     22       2.7305      0.28013
     23       5.0971      0.00000
     24       5.8693      0.00000

 k-point   124 :      -0.4800    0.0800    0.1429
  band No.  band energies     occupation 
      1     -40.3137      2.00000
      2     -40.3121      2.00000
      3     -40.3004      2.00000
      4     -40.2993      2.00000
      5     -40.2950      2.00000
      6     -40.2945      2.00000
      7      -6.8547      2.00000
      8      -6.7865      2.00000
      9      -6.6898      2.00000
     10      -6.5048      2.00000
     11      -6.3853      2.00000
     12      -6.0733      2.00000
     13      -5.9646      2.00000
     14      -5.9389      2.00000
     15      -5.8301      2.00000
     16      -5.7764      2.00000
     17      -1.1170      2.00000
     18       0.1001      2.00000
     19       0.9390      2.00000
     20       1.3998      2.00000
     21       2.5546      1.14805
     22       3.5195     -0.02105
     23       4.5223      0.00000
     24       6.0201      0.00000

 k-point   125 :      -0.4400    0.0800    0.1429
  band No.  band energies     occupation 
      1     -40.3126      2.00000
      2     -40.3112      2.00000
      3     -40.3009      2.00000
      4     -40.2988      2.00000
      5     -40.2948      2.00000
      6     -40.2941      2.00000
      7      -6.8355      2.00000
      8      -6.7619      2.00000
      9      -6.6617      2.00000
     10      -6.4934      2.00000
     11      -6.3733      2.00000
     12      -6.1082      2.00000
     13      -5.9829      2.00000
     14      -5.9517      2.00000
     15      -5.8613      2.00000
     16      -5.8003      2.00000
     17      -1.8452      2.00000
     18      -0.5593      2.00000
     19       0.3262      2.00000
     20       2.3168      1.90293
     21       3.2185     -0.07630
     22       4.1120      0.00000
     23       4.4051      0.00000
     24       5.5644      0.00000

 k-point   126 :      -0.4000    0.0800    0.1429
  band No.  band energies     occupation 
      1     -40.3110      2.00000
      2     -40.3099      2.00000
      3     -40.3012      2.00000
      4     -40.2981      2.00000
      5     -40.2944      2.00000
      6     -40.2936      2.00000
      7      -6.8088      2.00000
      8      -6.7269      2.00000
      9      -6.6207      2.00000
     10      -6.4772      2.00000
     11      -6.3574      2.00000
     12      -6.1582      2.00000
     13      -6.0104      2.00000
     14      -5.9748      2.00000
     15      -5.8971      2.00000
     16      -5.8328      2.00000
     17      -2.5121      2.00000
     18      -1.1685      2.00000
     19      -0.2583      2.00000
     20       2.9413      0.07502
     21       3.4585      0.00000
     22       4.6020      0.00000
     23       4.9384      0.00000
     24       5.4538      0.00000

 k-point   127 :      -0.3600    0.0800    0.1429
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.3083      2.00000
      3     -40.3013      2.00000
      4     -40.2974      2.00000
      5     -40.2939      2.00000
      6     -40.2931      2.00000
      7      -6.7771      2.00000
      8      -6.6841      2.00000
      9      -6.5687      2.00000
     10      -6.4580      2.00000
     11      -6.3410      2.00000
     12      -6.2171      2.00000
     13      -6.0511      2.00000
     14      -6.0074      2.00000
     15      -5.9352      2.00000
     16      -5.8630      2.00000
     17      -3.1146      2.00000
     18      -1.7201      2.00000
     19      -0.7898      2.00000
     20       2.5764      1.07806
     21       4.2427      0.00000
     22       4.6458      0.00000
     23       5.5415      0.00000
     24       6.4047      0.00000

 k-point   128 :      -0.3200    0.0800    0.1429
  band No.  band energies     occupation 
      1     -40.3088      2.00000
      2     -40.3061      2.00000
      3     -40.3006      2.00000
      4     -40.2965      2.00000
      5     -40.2934      2.00000
      6     -40.2927      2.00000
      7      -6.7437      2.00000
      8      -6.6375      2.00000
      9      -6.5099      2.00000
     10      -6.4395      2.00000
     11      -6.3308      2.00000
     12      -6.2719      2.00000
     13      -6.1028      2.00000
     14      -6.0473      2.00000
     15      -5.9773      2.00000
     16      -5.8809      2.00000
     17      -3.6500      2.00000
     18      -2.2112      2.00000
     19      -1.2630      2.00000
     20       2.1340      2.04581
     21       4.0012      0.00000
     22       5.5020      0.00000
     23       6.5756      0.00000
     24       7.4454      0.00000

 k-point   129 :      -0.2800    0.0800    0.1429
  band No.  band energies     occupation 
      1     -40.3087      2.00000
      2     -40.3037      2.00000
      3     -40.2992      2.00000
      4     -40.2956      2.00000
      5     -40.2929      2.00000
      6     -40.2922      2.00000
      7      -6.7133      2.00000
      8      -6.5916      2.00000
      9      -6.4595      2.00000
     10      -6.4251      2.00000
     11      -6.3393      2.00000
     12      -6.2957      2.00000
     13      -6.1542      2.00000
     14      -6.0993      2.00000
     15      -6.0091      2.00000
     16      -5.8888      2.00000
     17      -4.1158      2.00000
     18      -2.6398      2.00000
     19      -1.6766      2.00000
     20       1.7263      2.02660
     21       3.6278      0.00000
     22       6.5858      0.00000
     23       7.6472      0.00000
     24       8.4424      0.00000

 k-point   130 :      -0.2400    0.0800    0.1429
  band No.  band energies     occupation 
      1     -40.3089      2.00000
      2     -40.3013      2.00000
      3     -40.2974      2.00000
      4     -40.2946      2.00000
      5     -40.2925      2.00000
      6     -40.2917      2.00000
      7      -6.6940      2.00000
      8      -6.5530      2.00000
      9      -6.4546      2.00000
     10      -6.4111      2.00000
     11      -6.3282      2.00000
     12      -6.3000      2.00000
     13      -6.1948      2.00000
     14      -6.1550      2.00000
     15      -6.0213      2.00000
     16      -5.8917      2.00000
     17      -4.5101      2.00000
     18      -3.0051      2.00000
     19      -2.0299      2.00000
     20       1.3685      2.00000
     21       3.3037     -0.05616
     22       7.7105      0.00000
     23       8.4711      0.00000
     24       8.7061      0.00000

 k-point   131 :      -0.2000    0.0800    0.1429
  band No.  band energies     occupation 
      1     -40.3094      2.00000
      2     -40.2991      2.00000
      3     -40.2957      2.00000
      4     -40.2937      2.00000
      5     -40.2923      2.00000
      6     -40.2912      2.00000
      7      -6.6957      2.00000
      8      -6.5278      2.00000
      9      -6.4542      2.00000
     10      -6.4214      2.00000
     11      -6.3174      2.00000
     12      -6.3020      2.00000
     13      -6.2181      2.00000
     14      -6.1788      2.00000
     15      -6.0164      2.00000
     16      -5.8917      2.00000
     17      -4.8312      2.00000
     18      -3.3064      2.00000
     19      -2.3225      2.00000
     20       1.0671      2.00000
     21       3.0374     -0.07511
     22       8.3452      0.00000
     23       8.8574      0.00000
     24       9.5269      0.00000

 k-point   132 :       0.1200    0.1200    0.1429
  band No.  band energies     occupation 
      1     -40.3090      2.00000
      2     -40.3010      2.00000
      3     -40.2974      2.00000
      4     -40.2943      2.00000
      5     -40.2925      2.00000
      6     -40.2917      2.00000
      7      -6.6794      2.00000
      8      -6.5494      2.00000
      9      -6.4423      2.00000
     10      -6.4327      2.00000
     11      -6.3166      2.00000
     12      -6.3026      2.00000
     13      -6.2158      2.00000
     14      -6.1627      2.00000
     15      -6.0102      2.00000
     16      -5.8971      2.00000
     17      -4.5439      2.00000
     18      -3.0405      2.00000
     19      -2.0596      2.00000
     20       1.3379      2.00000
     21       3.2696     -0.06326
     22       8.1510      0.00000
     23       8.3572      0.00000
     24       8.8058      0.00000

 k-point   133 :       0.1600    0.1200    0.1429
  band No.  band energies     occupation 
      1     -40.3087      2.00000
      2     -40.3030      2.00000
      3     -40.2992      2.00000
      4     -40.2952      2.00000
      5     -40.2930      2.00000
      6     -40.2923      2.00000
      7      -6.6804      2.00000
      8      -6.5732      2.00000
      9      -6.4648      2.00000
     10      -6.4118      2.00000
     11      -6.3500      2.00000
     12      -6.3014      2.00000
     13      -6.2101      2.00000
     14      -6.0981      2.00000
     15      -5.9987      2.00000
     16      -5.8990      2.00000
     17      -4.1833      2.00000
     18      -2.7102      2.00000
     19      -1.7343      2.00000
     20       1.6696      2.01356
     21       3.5567      0.00000
     22       7.1728      0.00000
     23       7.8688      0.00000
     24       8.4180      0.00000

 k-point   134 :       0.2000    0.1200    0.1429
  band No.  band energies     occupation 
      1     -40.3086      2.00000
      2     -40.3052      2.00000
      3     -40.3007      2.00000
      4     -40.2961      2.00000
      5     -40.2937      2.00000
      6     -40.2926      2.00000
      7      -6.6990      2.00000
      8      -6.6064      2.00000
      9      -6.4991      2.00000
     10      -6.4014      2.00000
     11      -6.3638      2.00000
     12      -6.3055      2.00000
     13      -6.1687      2.00000
     14      -6.0420      2.00000
     15      -5.9809      2.00000
     16      -5.8931      2.00000
     17      -3.7513      2.00000
     18      -2.3161      2.00000
     19      -1.3477      2.00000
     20       2.0581      2.07030
     21       3.8930      0.00000
     22       6.1024      0.00000
     23       7.2033      0.00000
     24       7.4675      0.00000

 k-point   135 :       0.2400    0.1200    0.1429
  band No.  band energies     occupation 
      1     -40.3091      2.00000
      2     -40.3073      2.00000
      3     -40.3015      2.00000
      4     -40.2971      2.00000
      5     -40.2944      2.00000
      6     -40.2930      2.00000
      7      -6.7260      2.00000
      8      -6.6482      2.00000
      9      -6.5411      2.00000
     10      -6.4314      2.00000
     11      -6.3432      2.00000
     12      -6.2879      2.00000
     13      -6.1098      2.00000
     14      -6.0104      2.00000
     15      -5.9552      2.00000
     16      -5.8742      2.00000
     17      -3.2499      2.00000
     18      -1.8589      2.00000
     19      -0.9004      2.00000
     20       2.4970      1.31420
     21       4.2473      0.00000
     22       5.0769      0.00000
     23       6.1618      0.00000
     24       6.7792      0.00000

 k-point   136 :       0.2800    0.1200    0.1429
  band No.  band energies     occupation 
      1     -40.3102      2.00000
      2     -40.3091      2.00000
      3     -40.3017      2.00000
      4     -40.2980      2.00000
      5     -40.2950      2.00000
      6     -40.2934      2.00000
      7      -6.7543      2.00000
      8      -6.6918      2.00000
      9      -6.5826      2.00000
     10      -6.4573      2.00000
     11      -6.3565      2.00000
     12      -6.2305      2.00000
     13      -6.0465      2.00000
     14      -5.9960      2.00000
     15      -5.9335      2.00000
     16      -5.8438      2.00000
     17      -2.6814      2.00000
     18      -1.3401      2.00000
     19      -0.3941      2.00000
     20       2.9627      0.10107
     21       3.9577      0.00000
     22       4.7529      0.00000
     23       5.1376      0.00000
     24       5.9622      0.00000

 k-point   137 :       0.3200    0.1200    0.1429
  band No.  band energies     occupation 
      1     -40.3116      2.00000
      2     -40.3103      2.00000
      3     -40.3015      2.00000
      4     -40.2988      2.00000
      5     -40.2955      2.00000
      6     -40.2939      2.00000
      7      -6.7800      2.00000
      8      -6.7309      2.00000
      9      -6.6181      2.00000
     10      -6.4761      2.00000
     11      -6.3769      2.00000
     12      -6.1689      2.00000
     13      -5.9999      2.00000
     14      -5.9778      2.00000
     15      -5.9169      2.00000
     16      -5.8147      2.00000
     17      -2.0484      2.00000
     18      -0.7619      2.00000
     19       0.1673      2.00000
     20       2.8881      0.21635
     21       3.5492      0.00000
     22       4.2135      0.00000
     23       4.7428      0.00000
     24       5.5220      0.00000

 k-point   138 :       0.3600    0.1200    0.1429
  band No.  band energies     occupation 
      1     -40.3128      2.00000
      2     -40.3113      2.00000
      3     -40.3012      2.00000
      4     -40.2995      2.00000
      5     -40.2957      2.00000
      6     -40.2943      2.00000
      7      -6.8003      2.00000
      8      -6.7613      2.00000
      9      -6.6449      2.00000
     10      -6.4880      2.00000
     11      -6.3958      2.00000
     12      -6.1156      2.00000
     13      -5.9885      2.00000
     14      -5.9513      2.00000
     15      -5.8903      2.00000
     16      -5.7971      2.00000
     17      -1.3535      2.00000
     18      -0.1286      2.00000
     19       0.7689      2.00000
     20       1.9859      2.14133
     21       3.1694     -0.12840
     22       3.8617      0.00000
     23       4.3670      0.00000
     24       5.8638      0.00000

 k-point   139 :       0.4000    0.1200    0.1429
  band No.  band energies     occupation 
      1     -40.3136      2.00000
      2     -40.3120      2.00000
      3     -40.3010      2.00000
      4     -40.2998      2.00000
      5     -40.2957      2.00000
      6     -40.2947      2.00000
      7      -6.8134      2.00000
      8      -6.7802      2.00000
      9      -6.6616      2.00000
     10      -6.4942      2.00000
     11      -6.4092      2.00000
     12      -6.0792      2.00000
     13      -5.9793      2.00000
     14      -5.9501      2.00000
     15      -5.8546      2.00000
     16      -5.7935      2.00000
     17      -0.6002      2.00000
     18       0.5474      2.00000
     19       1.0451      2.00000
     20       1.3767      2.00000
     21       2.4476      1.54681
     22       3.1116     -0.08559
     23       4.9014      0.00000
     24       6.1005      0.00000

 k-point   140 :       0.4400    0.1200    0.1429
  band No.  band energies     occupation 
      1     -40.3139      2.00000
      2     -40.3122      2.00000
      3     -40.3009      2.00000
      4     -40.2999      2.00000
      5     -40.2957      2.00000
      6     -40.2949      2.00000
      7      -6.8180      2.00000
      8      -6.7866      2.00000
      9      -6.6672      2.00000
     10      -6.4960      2.00000
     11      -6.4141      2.00000
     12      -6.0663      2.00000
     13      -5.9708      2.00000
     14      -5.9570      2.00000
     15      -5.8362      2.00000
     16      -5.7970      2.00000
     17       0.1691      2.00000
     18       0.2452      2.00000
     19       1.1594      2.00000
     20       1.3142      2.00000
     21       2.3441      2.04386
     22       2.5487      0.53279
     23       5.3762      0.00000
     24       5.7825      0.00000

 k-point   141 :       0.4800    0.1200    0.1429
  band No.  band energies     occupation 
      1     -40.3136      2.00000
      2     -40.3120      2.00000
      3     -40.3010      2.00000
      4     -40.2998      2.00000
      5     -40.2957      2.00000
      6     -40.2948      2.00000
      7      -6.8134      2.00000
      8      -6.7800      2.00000
      9      -6.6616      2.00000
     10      -6.4942      2.00000
     11      -6.4093      2.00000
     12      -6.0790      2.00000
     13      -5.9795      2.00000
     14      -5.9505      2.00000
     15      -5.8546      2.00000
     16      -5.7934      2.00000
     17      -0.6013      2.00000
     18       0.5630      2.00000
     19       1.0746      2.00000
     20       1.3501      2.00000
     21       2.3264      1.87816
     22       3.2236     -0.08658
     23       4.9150      0.00000
     24       6.1400      0.00000

 k-point   142 :      -0.4800    0.1200    0.1429
  band No.  band energies     occupation 
      1     -40.3128      2.00000
      2     -40.3114      2.00000
      3     -40.3012      2.00000
      4     -40.2994      2.00000
      5     -40.2957      2.00000
      6     -40.2944      2.00000
      7      -6.8003      2.00000
      8      -6.7609      2.00000
      9      -6.6449      2.00000
     10      -6.4881      2.00000
     11      -6.3959      2.00000
     12      -6.1154      2.00000
     13      -5.9890      2.00000
     14      -5.9518      2.00000
     15      -5.8902      2.00000
     16      -5.7970      2.00000
     17      -1.3539      2.00000
     18      -0.1111      2.00000
     19       0.7593      2.00000
     20       1.9764      2.11798
     21       3.0234     -0.08116
     22       4.0578      0.00000
     23       4.3801      0.00000
     24       5.8966      0.00000

 k-point   143 :      -0.4400    0.1200    0.1429
  band No.  band energies     occupation 
      1     -40.3116      2.00000
      2     -40.3104      2.00000
      3     -40.3015      2.00000
      4     -40.2988      2.00000
      5     -40.2954      2.00000
      6     -40.2939      2.00000
      7      -6.7800      2.00000
      8      -6.7303      2.00000
      9      -6.6181      2.00000
     10      -6.4761      2.00000
     11      -6.3770      2.00000
     12      -6.1687      2.00000
     13      -6.0009      2.00000
     14      -5.9779      2.00000
     15      -5.9169      2.00000
     16      -5.8147      2.00000
     17      -2.0486      2.00000
     18      -0.7464      2.00000
     19       0.1526      2.00000
     20       2.8663      0.24514
     21       3.4345      0.00000
     22       4.3298      0.00000
     23       4.9280      0.00000
     24       5.4384      0.00000

 k-point   144 :      -0.4000    0.1200    0.1429
  band No.  band energies     occupation 
      1     -40.3102      2.00000
      2     -40.3091      2.00000
      3     -40.3017      2.00000
      4     -40.2980      2.00000
      5     -40.2950      2.00000
      6     -40.2934      2.00000
      7      -6.7544      2.00000
      8      -6.6909      2.00000
      9      -6.5826      2.00000
     10      -6.4573      2.00000
     11      -6.3566      2.00000
     12      -6.2304      2.00000
     13      -6.0475      2.00000
     14      -5.9962      2.00000
     15      -5.9339      2.00000
     16      -5.8437      2.00000
     17      -2.6815      2.00000
     18      -1.3274      2.00000
     19      -0.4073      2.00000
     20       2.9138      0.17534
     21       3.9806      0.00000
     22       4.8417      0.00000
     23       5.1238      0.00000
     24       6.0118      0.00000

 k-point   145 :      -0.3600    0.1200    0.1429
  band No.  band energies     occupation 
      1     -40.3091      2.00000
      2     -40.3073      2.00000
      3     -40.3015      2.00000
      4     -40.2971      2.00000
      5     -40.2944      2.00000
      6     -40.2930      2.00000
      7      -6.7262      2.00000
      8      -6.6472      2.00000
      9      -6.5411      2.00000
     10      -6.4313      2.00000
     11      -6.3434      2.00000
     12      -6.2878      2.00000
     13      -6.1106      2.00000
     14      -6.0105      2.00000
     15      -5.9560      2.00000
     16      -5.8740      2.00000
     17      -3.2499      2.00000
     18      -1.8494      2.00000
     19      -0.9104      2.00000
     20       2.4750      1.37590
     21       4.2948      0.00000
     22       5.0883      0.00000
     23       6.0812      0.00000
     24       7.0199      0.00000

 k-point   146 :      -0.3200    0.1200    0.1429
  band No.  band energies     occupation 
      1     -40.3086      2.00000
      2     -40.3052      2.00000
      3     -40.3007      2.00000
      4     -40.2961      2.00000
      5     -40.2937      2.00000
      6     -40.2926      2.00000
      7      -6.6992      2.00000
      8      -6.6054      2.00000
      9      -6.4991      2.00000
     10      -6.4010      2.00000
     11      -6.3642      2.00000
     12      -6.3054      2.00000
     13      -6.1693      2.00000
     14      -6.0419      2.00000
     15      -5.9821      2.00000
     16      -5.8928      2.00000
     17      -3.7513      2.00000
     18      -2.3098      2.00000
     19      -1.3541      2.00000
     20       2.0481      2.07884
     21       3.9143      0.00000
     22       6.1281      0.00000
     23       7.0194      0.00000
     24       7.8571      0.00000

 k-point   147 :      -0.2800    0.1200    0.1429
  band No.  band energies     occupation 
      1     -40.3086      2.00000
      2     -40.3030      2.00000
      3     -40.2992      2.00000
      4     -40.2952      2.00000
      5     -40.2930      2.00000
      6     -40.2923      2.00000
      7      -6.6805      2.00000
      8      -6.5725      2.00000
      9      -6.4648      2.00000
     10      -6.4118      2.00000
     11      -6.3500      2.00000
     12      -6.3014      2.00000
     13      -6.2105      2.00000
     14      -6.0980      2.00000
     15      -5.9995      2.00000
     16      -5.8988      2.00000
     17      -4.1834      2.00000
     18      -2.7072      2.00000
     19      -1.7373      2.00000
     20       1.6660      2.01277
     21       3.5643      0.00000
     22       7.2285      0.00000
     23       7.7301      0.00000
     24       8.4953      0.00000

 k-point   148 :       0.1600    0.1600    0.1429
  band No.  band energies     occupation 
      1     -40.3086      2.00000
      2     -40.3048      2.00000
      3     -40.3007      2.00000
      4     -40.2959      2.00000
      5     -40.2939      2.00000
      6     -40.2926      2.00000
      7      -6.6772      2.00000
      8      -6.5908      2.00000
      9      -6.5021      2.00000
     10      -6.3929      2.00000
     11      -6.3674      2.00000
     12      -6.3095      2.00000
     13      -6.2089      2.00000
     14      -6.0391      2.00000
     15      -5.9812      2.00000
     16      -5.8985      2.00000
     17      -3.7846      2.00000
     18      -2.3448      2.00000
     19      -1.3821      2.00000
     20       2.0226      2.07831
     21       3.8775      0.00000
     22       6.7113      0.00000
     23       6.7888      0.00000
     24       7.9296      0.00000

 k-point   149 :       0.2000    0.1600    0.1429
  band No.  band energies     occupation 
      1     -40.3089      2.00000
      2     -40.3066      2.00000
      3     -40.3018      2.00000
      4     -40.2968      2.00000
      5     -40.2948      2.00000
      6     -40.2929      2.00000
      7      -6.6873      2.00000
      8      -6.6163      2.00000
      9      -6.5392      2.00000
     10      -6.3992      2.00000
     11      -6.3545      2.00000
     12      -6.3204      2.00000
     13      -6.1741      2.00000
     14      -6.0055      2.00000
     15      -5.9656      2.00000
     16      -5.8808      2.00000
     17      -3.3164      2.00000
     18      -1.9188      2.00000
     19      -0.9652      2.00000
     20       2.4336      1.49903
     21       4.2319      0.00000
     22       5.6848      0.00000
     23       6.3565      0.00000
     24       6.8779      0.00000

 k-point   150 :       0.2400    0.1600    0.1429
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.3082      2.00000
      3     -40.3022      2.00000
      4     -40.2976      2.00000
      5     -40.2956      2.00000
      6     -40.2933      2.00000
      7      -6.7047      2.00000
      8      -6.6529      2.00000
      9      -6.5683      2.00000
     10      -6.4233      2.00000
     11      -6.3516      2.00000
     12      -6.2962      2.00000
     13      -6.1168      2.00000
     14      -5.9990      2.00000
     15      -5.9527      2.00000
     16      -5.8496      2.00000
     17      -2.7813      2.00000
     18      -1.4304      2.00000
     19      -0.4879      2.00000
     20       2.8891      0.25094
     21       4.4545      0.00000
     22       4.8402      0.00000
     23       5.7480      0.00000
     24       6.0048      0.00000

 k-point   151 :       0.2800    0.1600    0.1429
  band No.  band energies     occupation 
      1     -40.3107      2.00000
      2     -40.3095      2.00000
      3     -40.3022      2.00000
      4     -40.2985      2.00000
      5     -40.2962      2.00000
      6     -40.2937      2.00000
      7      -6.7239      2.00000
      8      -6.6916      2.00000
      9      -6.5907      2.00000
     10      -6.4453      2.00000
     11      -6.3740      2.00000
     12      -6.2397      2.00000
     13      -6.0499      2.00000
     14      -6.0021      2.00000
     15      -5.9479      2.00000
     16      -5.8216      2.00000
     17      -2.1820      2.00000
     18      -0.8818      2.00000
     19       0.0473      2.00000
     20       3.2929     -0.07698
     21       3.6990      0.00000
     22       4.7981      0.00000
     23       5.0074      0.00000
     24       5.4924      0.00000

 k-point   152 :       0.3200    0.1600    0.1429
  band No.  band energies     occupation 
      1     -40.3118      2.00000
      2     -40.3105      2.00000
      3     -40.3022      2.00000
      4     -40.2993      2.00000
      5     -40.2965      2.00000
      6     -40.2941      2.00000
      7      -6.7420      2.00000
      8      -6.7238      2.00000
      9      -6.6077      2.00000
     10      -6.4609      2.00000
     11      -6.3989      2.00000
     12      -6.1799      2.00000
     13      -6.0066      2.00000
     14      -5.9828      2.00000
     15      -5.9519      2.00000
     16      -5.8069      2.00000
     17      -1.5211      2.00000
     18      -0.2762      2.00000
     19       0.6327      2.00000
     20       2.6066      0.98084
     21       3.6670      0.00000
     22       4.1394      0.00000
     23       4.5459      0.00000
     24       5.5884      0.00000

 k-point   153 :       0.3600    0.1600    0.1429
  band No.  band energies     occupation 
      1     -40.3127      2.00000
      2     -40.3112      2.00000
      3     -40.3022      2.00000
      4     -40.2998      2.00000
      5     -40.2965      2.00000
      6     -40.2946      2.00000
      7      -6.7580      2.00000
      8      -6.7445      2.00000
      9      -6.6191      2.00000
     10      -6.4685      2.00000
     11      -6.4212      2.00000
     12      -6.1264      2.00000
     13      -6.0087      2.00000
     14      -5.9677      2.00000
     15      -5.9194      2.00000
     16      -5.8091      2.00000
     17      -0.8017      2.00000
     18       0.3795      2.00000
     19       1.2208      2.00000
     20       1.7246      2.01224
     21       2.9338     -0.10986
     22       3.6381      0.00000
     23       4.7216      0.00000
     24       5.6448      0.00000

 k-point   154 :       0.4000    0.1600    0.1429
  band No.  band energies     occupation 
      1     -40.3132      2.00000
      2     -40.3115      2.00000
      3     -40.3022      2.00000
      4     -40.3000      2.00000
      5     -40.2965      2.00000
      6     -40.2949      2.00000
      7      -6.7680      2.00000
      8      -6.7536      2.00000
      9      -6.6249      2.00000
     10      -6.4695      2.00000
     11      -6.4359      2.00000
     12      -6.0908      2.00000
     13      -6.0052      2.00000
     14      -5.9867      2.00000
     15      -5.8701      2.00000
     16      -5.8278      2.00000
     17      -0.0296      2.00000
     18       0.7855      2.00000
     19       1.0804      2.00000
     20       1.6389      2.00000
     21       2.4553      1.60622
     22       2.8887     -0.03172
     23       5.2600      0.00000
     24       5.6166      0.00000

 k-point   155 :       0.4400    0.1600    0.1429
  band No.  band energies     occupation 
      1     -40.3132      2.00000
      2     -40.3115      2.00000
      3     -40.3022      2.00000
      4     -40.3000      2.00000
      5     -40.2965      2.00000
      6     -40.2950      2.00000
      7      -6.7679      2.00000
      8      -6.7536      2.00000
      9      -6.6249      2.00000
     10      -6.4696      2.00000
     11      -6.4359      2.00000
     12      -6.0907      2.00000
     13      -6.0054      2.00000
     14      -5.9867      2.00000
     15      -5.8703      2.00000
     16      -5.8277      2.00000
     17      -0.0317      2.00000
     18       0.7849      2.00000
     19       1.1069      2.00000
     20       1.6484      2.00000
     21       2.3140      2.14641
     22       3.0032     -0.05108
     23       5.2477      0.00000
     24       5.7423      0.00000

 k-point   156 :       0.4800    0.1600    0.1429
  band No.  band energies     occupation 
      1     -40.3127      2.00000
      2     -40.3112      2.00000
      3     -40.3022      2.00000
      4     -40.2998      2.00000
      5     -40.2965      2.00000
      6     -40.2947      2.00000
      7      -6.7578      2.00000
      8      -6.7444      2.00000
      9      -6.6191      2.00000
     10      -6.4686      2.00000
     11      -6.4212      2.00000
     12      -6.1263      2.00000
     13      -6.0089      2.00000
     14      -5.9679      2.00000
     15      -5.9196      2.00000
     16      -5.8090      2.00000
     17      -0.8026      2.00000
     18       0.3926      2.00000
     19       1.2416      2.00000
     20       1.6964      2.00000
     21       2.8010      0.07434
     22       3.7909      0.00000
     23       4.7482      0.00000
     24       5.7369      0.00000

 k-point   157 :      -0.4800    0.1600    0.1429
  band No.  band energies     occupation 
      1     -40.3118      2.00000
      2     -40.3105      2.00000
      3     -40.3022      2.00000
      4     -40.2992      2.00000
      5     -40.2965      2.00000
      6     -40.2941      2.00000
      7      -6.7419      2.00000
      8      -6.7237      2.00000
      9      -6.6076      2.00000
     10      -6.4611      2.00000
     11      -6.3989      2.00000
     12      -6.1798      2.00000
     13      -6.0069      2.00000
     14      -5.9833      2.00000
     15      -5.9519      2.00000
     16      -5.8069      2.00000
     17      -1.5215      2.00000
     18      -0.2636      2.00000
     19       0.6243      2.00000
     20       2.5957      1.11648
     21       3.4779     -0.01276
     22       4.3345      0.00000
     23       4.6575      0.00000
     24       5.7004      0.00000

 k-point   158 :      -0.4400    0.1600    0.1429
  band No.  band energies     occupation 
      1     -40.3107      2.00000
      2     -40.3096      2.00000
      3     -40.3022      2.00000
      4     -40.2985      2.00000
      5     -40.2962      2.00000
      6     -40.2937      2.00000
      7      -6.7238      2.00000
      8      -6.6912      2.00000
      9      -6.5906      2.00000
     10      -6.4455      2.00000
     11      -6.3741      2.00000
     12      -6.2396      2.00000
     13      -6.0502      2.00000
     14      -6.0025      2.00000
     15      -5.9480      2.00000
     16      -5.8216      2.00000
     17      -2.1822      2.00000
     18      -0.8719      2.00000
     19       0.0378      2.00000
     20       3.2271     -0.13751
     21       3.7219      0.00000
     22       4.7496      0.00000
     23       5.1426      0.00000
     24       5.7081      0.00000

 k-point   159 :      -0.4000    0.1600    0.1429
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.3082      2.00000
      3     -40.3022      2.00000
      4     -40.2977      2.00000
      5     -40.2956      2.00000
      6     -40.2932      2.00000
      7      -6.7047      2.00000
      8      -6.6524      2.00000
      9      -6.5682      2.00000
     10      -6.4234      2.00000
     11      -6.3516      2.00000
     12      -6.2961      2.00000
     13      -6.1171      2.00000
     14      -5.9993      2.00000
     15      -5.9529      2.00000
     16      -5.8495      2.00000
     17      -2.7814      2.00000
     18      -1.4238      2.00000
     19      -0.4948      2.00000
     20       2.8658      0.29491
     21       4.5042      0.00000
     22       4.8534      0.00000
     23       5.5498      0.00000
     24       6.5179      0.00000

 k-point   160 :      -0.3600    0.1600    0.1429
  band No.  band energies     occupation 
      1     -40.3089      2.00000
      2     -40.3066      2.00000
      3     -40.3018      2.00000
      4     -40.2968      2.00000
      5     -40.2948      2.00000
      6     -40.2929      2.00000
      7      -6.6874      2.00000
      8      -6.6158      2.00000
      9      -6.5391      2.00000
     10      -6.3994      2.00000
     11      -6.3544      2.00000
     12      -6.3204      2.00000
     13      -6.1743      2.00000
     14      -6.0055      2.00000
     15      -5.9660      2.00000
     16      -5.8807      2.00000
     17      -3.3164      2.00000
     18      -1.9155      2.00000
     19      -0.9687      2.00000
     20       2.4263      1.51569
     21       4.2476      0.00000
     22       5.7178      0.00000
     23       6.2193      0.00000
     24       7.1957      0.00000

 k-point   161 :       0.2000    0.2000    0.1429
  band No.  band energies     occupation 
      1     -40.3094      2.00000
      2     -40.3078      2.00000
      3     -40.3024      2.00000
      4     -40.2974      2.00000
      5     -40.2960      2.00000
      6     -40.2932      2.00000
      7      -6.6837      2.00000
      8      -6.6330      2.00000
      9      -6.5660      2.00000
     10      -6.4135      2.00000
     11      -6.3419      2.00000
     12      -6.3175      2.00000
     13      -6.1587      2.00000
     14      -5.9973      2.00000
     15      -5.9602      2.00000
     16      -5.8514      2.00000
     17      -2.8143      2.00000
     18      -1.4581      2.00000
     19      -0.5215      2.00000
     20       2.8546      0.32342
     21       4.5930      0.00000
     22       5.2921      0.00000
     23       5.3718      0.00000
     24       6.4814      0.00000

 k-point   162 :       0.2400    0.2000    0.1429
  band No.  band energies     occupation 
      1     -40.3102      2.00000
      2     -40.3090      2.00000
      3     -40.3028      2.00000
      4     -40.2980      2.00000
      5     -40.2971      2.00000
      6     -40.2936      2.00000
      7      -6.6875      2.00000
      8      -6.6610      2.00000
      9      -6.5781      2.00000
     10      -6.4220      2.00000
     11      -6.3654      2.00000
     12      -6.2809      2.00000
     13      -6.1185      2.00000
     14      -6.0043      2.00000
     15      -5.9604      2.00000
     16      -5.8242      2.00000
     17      -2.2481      2.00000
     18      -0.9397      2.00000
     19      -0.0146      2.00000
     20       3.3115     -0.07458
     21       4.2519      0.00000
     22       4.9886      0.00000
     23       5.1055      0.00000
     24       5.4989      0.00000

 k-point   163 :       0.2800    0.2000    0.1429
  band No.  band energies     occupation 
      1     -40.3110      2.00000
      2     -40.3098      2.00000
      3     -40.3031      2.00000
      4     -40.2989      2.00000
      5     -40.2974      2.00000
      6     -40.2940      2.00000
      7      -6.7039      2.00000
      8      -6.6788      2.00000
      9      -6.5863      2.00000
     10      -6.4300      2.00000
     11      -6.3900      2.00000
     12      -6.2379      2.00000
     13      -6.0648      2.00000
     14      -6.0128      2.00000
     15      -5.9673      2.00000
     16      -5.8107      2.00000
     17      -1.6208      2.00000
     18      -0.3632      2.00000
     19       0.5475      2.00000
     20       3.2493     -0.14297
     21       3.8307      0.00000
     22       4.5529      0.00000
     23       4.7228      0.00000
     24       5.2271      0.00000

 k-point   164 :       0.3200    0.2000    0.1429
  band No.  band energies     occupation 
      1     -40.3117      2.00000
      2     -40.3104      2.00000
      3     -40.3034      2.00000
      4     -40.2998      2.00000
      5     -40.2973      2.00000
      6     -40.2945      2.00000
      7      -6.7263      2.00000
      8      -6.6840      2.00000
      9      -6.5916      2.00000
     10      -6.4407      2.00000
     11      -6.4106      2.00000
     12      -6.1887      2.00000
     13      -6.0387      2.00000
     14      -6.0013      2.00000
     15      -5.9691      2.00000
     16      -5.8146      2.00000
     17      -0.9354      2.00000
     18       0.2666      2.00000
     19       1.1465      2.00000
     20       2.3676      1.69632
     21       3.5081      0.00000
     22       4.0779      0.00000
     23       4.6113      0.00000
     24       4.9745      0.00000

 k-point   165 :       0.3600    0.2000    0.1429
  band No.  band energies     occupation 
      1     -40.3122      2.00000
      2     -40.3107      2.00000
      3     -40.3037      2.00000
      4     -40.3004      2.00000
      5     -40.2971      2.00000
      6     -40.2949      2.00000
      7      -6.7416      2.00000
      8      -6.6867      2.00000
      9      -6.5934      2.00000
     10      -6.4518      2.00000
     11      -6.4231      2.00000
     12      -6.1405      2.00000
     13      -6.0505      2.00000
     14      -6.0076      2.00000
     15      -5.9234      2.00000
     16      -5.8362      2.00000
     17      -0.1968      2.00000
     18       0.9304      2.00000
     19       1.4061      2.00000
     20       1.8187      2.00000
     21       2.7928     -0.03074
     22       3.4061      0.00000
     23       4.7509      0.00000
     24       5.0987      0.00000

 k-point   166 :       0.4000    0.2000    0.1429
  band No.  band energies     occupation 
      1     -40.3124      2.00000
      2     -40.3108      2.00000
      3     -40.3038      2.00000
      4     -40.3006      2.00000
      5     -40.2970      2.00000
      6     -40.2951      2.00000
      7      -6.7468      2.00000
      8      -6.6877      2.00000
      9      -6.5934      2.00000
     10      -6.4567      2.00000
     11      -6.4270      2.00000
     12      -6.1122      2.00000
     13      -6.0657      2.00000
     14      -6.0136      2.00000
     15      -5.8755      2.00000
     16      -5.8721      2.00000
     17       0.5151      2.00000
     18       0.6677      2.00000
     19       1.5561      2.00000
     20       1.7499      2.00000
     21       2.6478      0.40789
     22       2.9099      0.00000
     23       4.6840      0.00000
     24       5.4245      0.00000

 k-point   167 :       0.4400    0.2000    0.1429
  band No.  band energies     occupation 
      1     -40.3122      2.00000
      2     -40.3107      2.00000
      3     -40.3037      2.00000
      4     -40.3004      2.00000
      5     -40.2971      2.00000
      6     -40.2950      2.00000
      7      -6.7414      2.00000
      8      -6.6868      2.00000
      9      -6.5933      2.00000
     10      -6.4519      2.00000
     11      -6.4231      2.00000
     12      -6.1404      2.00000
     13      -6.0507      2.00000
     14      -6.0074      2.00000
     15      -5.9236      2.00000
     16      -5.8361      2.00000
     17      -0.1982      2.00000
     18       0.9284      2.00000
     19       1.4777      2.00000
     20       1.7739      2.00000
     21       2.6316      0.31620
     22       3.5844      0.00000
     23       4.6574      0.00000
     24       5.3844      0.00000

 k-point   168 :       0.4800    0.2000    0.1429
  band No.  band energies     occupation 
      1     -40.3117      2.00000
      2     -40.3104      2.00000
      3     -40.3034      2.00000
      4     -40.2998      2.00000
      5     -40.2973      2.00000
      6     -40.2945      2.00000
      7      -6.7260      2.00000
      8      -6.6842      2.00000
      9      -6.5915      2.00000
     10      -6.4409      2.00000
     11      -6.4105      2.00000
     12      -6.1886      2.00000
     13      -6.0389      2.00000
     14      -6.0012      2.00000
     15      -5.9695      2.00000
     16      -5.8145      2.00000
     17      -0.9361      2.00000
     18       0.2751      2.00000
     19       1.1508      2.00000
     20       2.3539      1.72690
     21       3.3305     -0.03923
     22       4.4034      0.00000
     23       4.5008      0.00000
     24       5.1610      0.00000

 k-point   169 :      -0.4800    0.2000    0.1429
  band No.  band energies     occupation 
      1     -40.3110      2.00000
      2     -40.3098      2.00000
      3     -40.3031      2.00000
      4     -40.2989      2.00000
      5     -40.2974      2.00000
      6     -40.2940      2.00000
      7      -6.7034      2.00000
      8      -6.6791      2.00000
      9      -6.5861      2.00000
     10      -6.4303      2.00000
     11      -6.3899      2.00000
     12      -6.2378      2.00000
     13      -6.0649      2.00000
     14      -6.0131      2.00000
     15      -5.9674      2.00000
     16      -5.8107      2.00000
     17      -1.6210      2.00000
     18      -0.3565      2.00000
     19       0.5428      2.00000
     20       3.2236     -0.16152
     21       3.7917      0.00000
     22       4.3751      0.00000
     23       5.1482      0.00000
     24       5.4445      0.00000

 k-point   170 :      -0.4400    0.2000    0.1429
  band No.  band energies     occupation 
      1     -40.3102      2.00000
      2     -40.3090      2.00000
      3     -40.3028      2.00000
      4     -40.2981      2.00000
      5     -40.2970      2.00000
      6     -40.2936      2.00000
      7      -6.6873      2.00000
      8      -6.6611      2.00000
      9      -6.5780      2.00000
     10      -6.4222      2.00000
     11      -6.3654      2.00000
     12      -6.2809      2.00000
     13      -6.1186      2.00000
     14      -6.0045      2.00000
     15      -5.9604      2.00000
     16      -5.8242      2.00000
     17      -2.2482      2.00000
     18      -0.9363      2.00000
     19      -0.0178      2.00000
     20       3.2879     -0.07766
     21       4.3093      0.00000
     22       4.8158      0.00000
     23       5.1396      0.00000
     24       5.9248      0.00000

 k-point   171 :       0.2400    0.2400    0.1429
  band No.  band energies     occupation 
      1     -40.3106      2.00000
      2     -40.3095      2.00000
      3     -40.3036      2.00000
      4     -40.2985      2.00000
      5     -40.2980      2.00000
      6     -40.2940      2.00000
      7      -6.6802      2.00000
      8      -6.6733      2.00000
      9      -6.5709      2.00000
     10      -6.4192      2.00000
     11      -6.3871      2.00000
     12      -6.2510      2.00000
     13      -6.1090      2.00000
     14      -6.0163      2.00000
     15      -5.9713      2.00000
     16      -5.8116      2.00000
     17      -1.6539      2.00000
     18      -0.3898      2.00000
     19       0.5171      2.00000
     20       3.6270     -0.00770
     21       3.9716      0.00000
     22       4.1814      0.00000
     23       5.2253      0.00000
     24       5.3601      0.00000

 k-point   172 :       0.2800    0.2400    0.1429
  band No.  band energies     occupation 
      1     -40.3110      2.00000
      2     -40.3099      2.00000
      3     -40.3043      2.00000
      4     -40.2998      2.00000
      5     -40.2978      2.00000
      6     -40.2944      2.00000
      7      -6.7000      2.00000
      8      -6.6596      2.00000
      9      -6.5663      2.00000
     10      -6.4204      2.00000
     11      -6.3976      2.00000
     12      -6.2224      2.00000
     13      -6.0923      2.00000
     14      -6.0260      2.00000
     15      -5.9782      2.00000
     16      -5.8160      2.00000
     17      -1.0021      2.00000
     18       0.2113      2.00000
     19       1.1003      2.00000
     20       3.0369     -0.02298
     21       3.7038      0.00000
     22       4.1808      0.00000
     23       4.5078      0.00000
     24       5.1137      0.00000

 k-point   173 :       0.3200    0.2400    0.1429
  band No.  band energies     occupation 
      1     -40.3113      2.00000
      2     -40.3100      2.00000
      3     -40.3050      2.00000
      4     -40.3008      2.00000
      5     -40.2974      2.00000
      6     -40.2949      2.00000
      7      -6.7151      2.00000
      8      -6.6447      2.00000
      9      -6.5698      2.00000
     10      -6.4390      2.00000
     11      -6.3846      2.00000
     12      -6.1936      2.00000
     13      -6.0963      2.00000
     14      -6.0278      2.00000
     15      -5.9622      2.00000
     16      -5.8373      2.00000
     17      -0.2974      2.00000
     18       0.8568      2.00000
     19       1.6659      2.00000
     20       2.2271      1.99323
     21       3.3308      0.00000
     22       3.5973      0.00000
     23       4.4269      0.00000
     24       4.6803      0.00000

 k-point   174 :       0.3600    0.2400    0.1429
  band No.  band energies     occupation 
      1     -40.3114      2.00000
      2     -40.3100      2.00000
      3     -40.3053      2.00000
      4     -40.3014      2.00000
      5     -40.2971      2.00000
      6     -40.2953      2.00000
      7      -6.7231      2.00000
      8      -6.6332      2.00000
      9      -6.5758      2.00000
     10      -6.4514      2.00000
     11      -6.3755      2.00000
     12      -6.1598      2.00000
     13      -6.1236      2.00000
     14      -6.0297      2.00000
     15      -5.9220      2.00000
     16      -5.8718      2.00000
     17       0.4480      2.00000
     18       1.2244      2.00000
     19       1.5877      2.00000
     20       2.1625      2.00000
     21       2.8748     -0.01697
     22       3.1684      0.00000
     23       4.0063      0.00000
     24       4.7508      0.00000

 k-point   175 :       0.4000    0.2400    0.1429
  band No.  band energies     occupation 
      1     -40.3114      2.00000
      2     -40.3100      2.00000
      3     -40.3053      2.00000
      4     -40.3014      2.00000
      5     -40.2971      2.00000
      6     -40.2953      2.00000
      7      -6.7230      2.00000
      8      -6.6333      2.00000
      9      -6.5758      2.00000
     10      -6.4514      2.00000
     11      -6.3755      2.00000
     12      -6.1597      2.00000
     13      -6.1237      2.00000
     14      -6.0296      2.00000
     15      -5.9221      2.00000
     16      -5.8718      2.00000
     17       0.4466      2.00000
     18       1.2077      2.00000
     19       1.6466      2.00000
     20       2.1772      2.00000
     21       2.6260      0.05183
     22       3.4526      0.00000
     23       3.9062      0.00000
     24       4.7994      0.00000

 k-point   176 :       0.4400    0.2400    0.1429
  band No.  band energies     occupation 
      1     -40.3112      2.00000
      2     -40.3100      2.00000
      3     -40.3049      2.00000
      4     -40.3008      2.00000
      5     -40.2974      2.00000
      6     -40.2949      2.00000
      7      -6.7150      2.00000
      8      -6.6449      2.00000
      9      -6.5697      2.00000
     10      -6.4391      2.00000
     11      -6.3846      2.00000
     12      -6.1935      2.00000
     13      -6.0964      2.00000
     14      -6.0277      2.00000
     15      -5.9624      2.00000
     16      -5.8373      2.00000
     17      -0.2982      2.00000
     18       0.8582      2.00000
     19       1.7100      2.00000
     20       2.1879      2.01607
     21       3.0975     -0.01187
     22       3.9669      0.00000
     23       4.2400      0.00000
     24       4.8837      0.00000

 k-point   177 :       0.4800    0.2400    0.1429
  band No.  band energies     occupation 
      1     -40.3110      2.00000
      2     -40.3099      2.00000
      3     -40.3043      2.00000
      4     -40.2998      2.00000
      5     -40.2978      2.00000
      6     -40.2944      2.00000
      7      -6.6998      2.00000
      8      -6.6598      2.00000
      9      -6.5662      2.00000
     10      -6.4205      2.00000
     11      -6.3975      2.00000
     12      -6.2224      2.00000
     13      -6.0923      2.00000
     14      -6.0260      2.00000
     15      -5.9783      2.00000
     16      -5.8160      2.00000
     17      -1.0024      2.00000
     18       0.2143      2.00000
     19       1.1011      2.00000
     20       3.0312     -0.00717
     21       3.6333      0.00000
     22       4.1062      0.00000
     23       4.9627      0.00000
     24       5.0314      0.00000

 k-point   178 :       0.2800    0.2800    0.1429
  band No.  band energies     occupation 
      1     -40.3108      2.00000
      2     -40.3097      2.00000
      3     -40.3055      2.00000
      4     -40.3010      2.00000
      5     -40.2975      2.00000
      6     -40.2949      2.00000
      7      -6.7014      2.00000
      8      -6.6406      2.00000
      9      -6.5535      2.00000
     10      -6.4101      2.00000
     11      -6.3902      2.00000
     12      -6.2027      2.00000
     13      -6.1304      2.00000
     14      -6.0367      2.00000
     15      -5.9733      2.00000
     16      -5.8373      2.00000
     17      -0.3312      2.00000
     18       0.8314      2.00000
     19       1.6873      2.00000
     20       2.7917      0.45274
     21       2.9934      0.00000
     22       3.9452      0.00000
     23       4.2277      0.00000
     24       4.8608      0.00000

 k-point   179 :       0.3200    0.2800    0.1429
  band No.  band energies     occupation 
      1     -40.3105      2.00000
      2     -40.3094      2.00000
      3     -40.3065      2.00000
      4     -40.3021      2.00000
      5     -40.2971      2.00000
      6     -40.2954      2.00000
      7      -6.7039      2.00000
      8      -6.6191      2.00000
      9      -6.5623      2.00000
     10      -6.4081      2.00000
     11      -6.3550      2.00000
     12      -6.1972      2.00000
     13      -6.1675      2.00000
     14      -6.0387      2.00000
     15      -5.9521      2.00000
     16      -5.8706      2.00000
     17       0.3837      2.00000
     18       1.4483      2.00000
     19       1.9393      2.00000
     20       2.4093      1.98532
     21       2.8391     -0.00188
     22       3.3199      0.00000
     23       3.9747      0.00000
     24       4.2595      0.00000

 k-point   180 :       0.3600    0.2800    0.1429
  band No.  band energies     occupation 
      1     -40.3103      2.00000
      2     -40.3093      2.00000
      3     -40.3069      2.00000
      4     -40.3024      2.00000
      5     -40.2968      2.00000
      6     -40.2957      2.00000
      7      -6.7050      2.00000
      8      -6.6045      2.00000
      9      -6.5744      2.00000
     10      -6.4085      2.00000
     11      -6.3300      2.00000
     12      -6.2116      2.00000
     13      -6.1751      2.00000
     14      -6.0381      2.00000
     15      -5.9271      2.00000
     16      -5.8997      2.00000
     17       1.0278      2.00000
     18       1.2400      2.00000
     19       2.0879      2.00000
     20       2.3633      2.00000
     21       2.6957     -0.00393
     22       3.3374      0.00000
     23       3.5880      0.00000
     24       4.0476      0.00000

 k-point   181 :       0.4000    0.2800    0.1429
  band No.  band energies     occupation 
      1     -40.3105      2.00000
      2     -40.3094      2.00000
      3     -40.3065      2.00000
      4     -40.3021      2.00000
      5     -40.2970      2.00000
      6     -40.2954      2.00000
      7      -6.7039      2.00000
      8      -6.6192      2.00000
      9      -6.5622      2.00000
     10      -6.4081      2.00000
     11      -6.3550      2.00000
     12      -6.1971      2.00000
     13      -6.1675      2.00000
     14      -6.0387      2.00000
     15      -5.9522      2.00000
     16      -5.8706      2.00000
     17       0.3832      2.00000
     18       1.4329      2.00000
     19       2.0403      2.00000
     20       2.3480      2.03276
     21       2.6942      0.00027
     22       3.5091      0.00000
     23       3.9378      0.00000
     24       4.2338      0.00000

 k-point   182 :       0.3200    0.3200    0.1429
  band No.  band energies     occupation 
      1     -40.3095      2.00000
      2     -40.3089      2.00000
      3     -40.3079      2.00000
      4     -40.3029      2.00000
      5     -40.2966      2.00000
      6     -40.2959      2.00000
      7      -6.6966      2.00000
      8      -6.5988      2.00000
      9      -6.5762      2.00000
     10      -6.3458      2.00000
     11      -6.3363      2.00000
     12      -6.2532      2.00000
     13      -6.1891      2.00000
     14      -6.0392      2.00000
     15      -5.9360      2.00000
     16      -5.9057      2.00000
     17       1.0796      2.00000
     18       1.6345      2.00000
     19       2.0992      2.00000
     20       2.3404      2.00000
     21       2.7212     -0.03263
     22       3.3203      0.00000
     23       3.5582      0.00000
     24       4.0337      0.00000

 k-point   183 :       0.0000    0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3108      2.00000
      2     -40.2931      2.00000
      3     -40.2928      2.00000
      4     -40.2928      2.00000
      5     -40.2900      2.00000
      6     -40.2900      2.00000
      7      -6.7943      2.00000
      8      -6.5178      2.00000
      9      -6.4370      2.00000
     10      -6.4370      2.00000
     11      -6.4135      2.00000
     12      -6.4135      2.00000
     13      -6.1242      2.00000
     14      -6.1242      2.00000
     15      -5.8897      2.00000
     16      -5.8897      2.00000
     17      -5.4483      2.00000
     18      -4.2468      2.00000
     19      -2.4212      2.00000
     20      -0.3612      2.00000
     21       3.4033     -0.14461
     22       6.7354      0.00000
     23      11.5755      0.00000
     24      13.2714      0.00000

 k-point   184 :       0.0400    0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3107      2.00000
      2     -40.2937      2.00000
      3     -40.2929      2.00000
      4     -40.2924      2.00000
      5     -40.2902      2.00000
      6     -40.2899      2.00000
      7      -6.7858      2.00000
      8      -6.5132      2.00000
      9      -6.4397      2.00000
     10      -6.4280      2.00000
     11      -6.4162      2.00000
     12      -6.4064      2.00000
     13      -6.1335      2.00000
     14      -6.1258      2.00000
     15      -5.9046      2.00000
     16      -5.8891      2.00000
     17      -5.4129      2.00000
     18      -4.2119      2.00000
     19      -2.3868      2.00000
     20      -0.3258      2.00000
     21       3.4337     -0.14829
     22       6.7626      0.00000
     23      11.5799      0.00000
     24      12.4808      0.00000

 k-point   185 :       0.0800    0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3105      2.00000
      2     -40.2949      2.00000
      3     -40.2931      2.00000
      4     -40.2922      2.00000
      5     -40.2910      2.00000
      6     -40.2901      2.00000
      7      -6.7632      2.00000
      8      -6.5047      2.00000
      9      -6.4478      2.00000
     10      -6.4196      2.00000
     11      -6.4018      2.00000
     12      -6.3859      2.00000
     13      -6.1606      2.00000
     14      -6.1296      2.00000
     15      -5.9427      2.00000
     16      -5.8876      2.00000
     17      -5.3082      2.00000
     18      -4.1083      2.00000
     19      -2.2844      2.00000
     20      -0.2202      2.00000
     21       3.5245     -0.06771
     22       6.8438      0.00000
     23      11.3326      0.00000
     24      11.5835      0.00000

 k-point   186 :       0.1200    0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3101      2.00000
      2     -40.2966      2.00000
      3     -40.2936      2.00000
      4     -40.2925      2.00000
      5     -40.2922      2.00000
      6     -40.2904      2.00000
      7      -6.7348      2.00000
      8      -6.5025      2.00000
      9      -6.4653      2.00000
     10      -6.4091      2.00000
     11      -6.3635      2.00000
     12      -6.3525      2.00000
     13      -6.2028      2.00000
     14      -6.1317      2.00000
     15      -5.9907      2.00000
     16      -5.8855      2.00000
     17      -5.1348      2.00000
     18      -3.9381      2.00000
     19      -2.1160      2.00000
     20      -0.0460      2.00000
     21       3.6745     -0.00009
     22       6.9763      0.00000
     23      10.1480      0.00000
     24      10.9446      0.00000

 k-point   187 :       0.1600    0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.2986      2.00000
      3     -40.2943      2.00000
      4     -40.2941      2.00000
      5     -40.2923      2.00000
      6     -40.2909      2.00000
      7      -6.7158      2.00000
      8      -6.5160      2.00000
      9      -6.4771      2.00000
     10      -6.3900      2.00000
     11      -6.3313      2.00000
     12      -6.2990      2.00000
     13      -6.2528      2.00000
     14      -6.1244      2.00000
     15      -6.0352      2.00000
     16      -5.8832      2.00000
     17      -4.8900      2.00000
     18      -3.7033      2.00000
     19      -1.8839      2.00000
     20       0.1942      2.00000
     21       3.8820      0.00000
     22       7.1485      0.00000
     23       8.9811      0.00000
     24       9.7314      0.00000

 k-point   188 :       0.2000    0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3092      2.00000
      2     -40.3010      2.00000
      3     -40.2963      2.00000
      4     -40.2948      2.00000
      5     -40.2925      2.00000
      6     -40.2913      2.00000
      7      -6.7191      2.00000
      8      -6.5544      2.00000
      9      -6.4623      2.00000
     10      -6.3946      2.00000
     11      -6.3130      2.00000
     12      -6.2828      2.00000
     13      -6.2326      2.00000
     14      -6.0977      2.00000
     15      -6.0651      2.00000
     16      -5.8806      2.00000
     17      -4.5714      2.00000
     18      -3.4050      2.00000
     19      -1.5903      2.00000
     20       0.4975      2.00000
     21       4.1442      0.00000
     22       7.2512      0.00000
     23       7.9608      0.00000
     24       8.5154      0.00000

 k-point   189 :       0.2400    0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3088      2.00000
      2     -40.3036      2.00000
      3     -40.2984      2.00000
      4     -40.2956      2.00000
      5     -40.2927      2.00000
      6     -40.2918      2.00000
      7      -6.7423      2.00000
      8      -6.6021      2.00000
      9      -6.4543      2.00000
     10      -6.4391      2.00000
     11      -6.3110      2.00000
     12      -6.2626      2.00000
     13      -6.1604      2.00000
     14      -6.0728      2.00000
     15      -6.0490      2.00000
     16      -5.8773      2.00000
     17      -4.1785      2.00000
     18      -3.0438      2.00000
     19      -1.2362      2.00000
     20       0.8602      2.00000
     21       4.4549      0.00000
     22       6.5442      0.00000
     23       7.3206      0.00000
     24       7.8267      0.00000

 k-point   190 :       0.2800    0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3088      2.00000
      2     -40.3061      2.00000
      3     -40.3001      2.00000
      4     -40.2963      2.00000
      5     -40.2931      2.00000
      6     -40.2924      2.00000
      7      -6.7757      2.00000
      8      -6.6521      2.00000
      9      -6.5187      2.00000
     10      -6.4443      2.00000
     11      -6.3199      2.00000
     12      -6.2164      2.00000
     13      -6.0884      2.00000
     14      -6.0588      2.00000
     15      -5.9865      2.00000
     16      -5.8718      2.00000
     17      -3.7120      2.00000
     18      -2.6202      2.00000
     19      -0.8224      2.00000
     20       1.2782      2.00000
     21       4.7854      0.00000
     22       5.5220      0.00000
     23       6.1870      0.00000
     24       7.7318      0.00000

 k-point   191 :       0.3200    0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.3084      2.00000
      3     -40.3010      2.00000
      4     -40.2970      2.00000
      5     -40.2935      2.00000
      6     -40.2929      2.00000
      7      -6.8118      2.00000
      8      -6.7000      2.00000
      9      -6.5857      2.00000
     10      -6.4595      2.00000
     11      -6.3333      2.00000
     12      -6.1643      2.00000
     13      -6.0304      2.00000
     14      -6.0245      2.00000
     15      -5.9211      2.00000
     16      -5.8601      2.00000
     17      -3.1739      2.00000
     18      -2.1349      2.00000
     19      -0.3497      2.00000
     20       1.7430      2.07152
     21       4.3943      0.00000
     22       5.1038      0.00000
     23       5.2534      0.00000
     24       6.8465      0.00000

 k-point   192 :       0.3600    0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3112      2.00000
      2     -40.3101      2.00000
      3     -40.3012      2.00000
      4     -40.2977      2.00000
      5     -40.2940      2.00000
      6     -40.2934      2.00000
      7      -6.8458      2.00000
      8      -6.7424      2.00000
      9      -6.6443      2.00000
     10      -6.4799      2.00000
     11      -6.3472      2.00000
     12      -6.1176      2.00000
     13      -5.9959      2.00000
     14      -5.9776      2.00000
     15      -5.8647      2.00000
     16      -5.8337      2.00000
     17      -2.5666      2.00000
     18      -1.5890      2.00000
     19       0.1787      2.00000
     20       2.2212      2.04688
     21       3.4277      0.00000
     22       4.1059      0.00000
     23       5.4145      0.00000
     24       6.1061      0.00000

 k-point   193 :       0.4000    0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3129      2.00000
      2     -40.3114      2.00000
      3     -40.3008      2.00000
      4     -40.2982      2.00000
      5     -40.2944      2.00000
      6     -40.2938      2.00000
      7      -6.8743      2.00000
      8      -6.7762      2.00000
      9      -6.6908      2.00000
     10      -6.4993      2.00000
     11      -6.3591      2.00000
     12      -6.0817      2.00000
     13      -5.9626      2.00000
     14      -5.9519      2.00000
     15      -5.8255      2.00000
     16      -5.7912      2.00000
     17      -1.8929      2.00000
     18      -0.9847      2.00000
     19       0.7492      2.00000
     20       2.2392      2.02340
     21       2.8432      0.04817
     22       3.3214      0.00000
     23       4.7612      0.00000
     24       6.1330      0.00000

 k-point   194 :       0.4400   -0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3141      2.00000
      2     -40.3124      2.00000
      3     -40.3003      2.00000
      4     -40.2985      2.00000
      5     -40.2948      2.00000
      6     -40.2941      2.00000
      7      -6.8949      2.00000
      8      -6.7996      2.00000
      9      -6.7230      2.00000
     10      -6.5138      2.00000
     11      -6.3678      2.00000
     12      -6.0578      2.00000
     13      -5.9406      2.00000
     14      -5.9370      2.00000
     15      -5.7965      2.00000
     16      -5.7546      2.00000
     17      -1.1561      2.00000
     18      -0.3263      2.00000
     19       1.2360      2.00000
     20       1.4214      2.00000
     21       2.3102      1.97894
     22       3.4904     -0.00122
     23       4.0456      0.00000
     24       5.7894      0.00000

 k-point   195 :       0.4800    0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3148      2.00000
      2     -40.3130      2.00000
      3     -40.3001      2.00000
      4     -40.2987      2.00000
      5     -40.2951      2.00000
      6     -40.2943      2.00000
      7      -6.9056      2.00000
      8      -6.8114      2.00000
      9      -6.7394      2.00000
     10      -6.5215      2.00000
     11      -6.3723      2.00000
     12      -6.0458      2.00000
     13      -5.9365      2.00000
     14      -5.9233      2.00000
     15      -5.7803      2.00000
     16      -5.7349      2.00000
     17      -0.3606      2.00000
     18       0.3735      2.00000
     19       0.4851      2.00000
     20       1.1015      2.00000
     21       2.3885      1.91824
     22       3.0022     -0.04779
     23       4.3481      0.00000
     24       5.1329      0.00000

 k-point   196 :      -0.4800   -0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3148      2.00000
      2     -40.3130      2.00000
      3     -40.3001      2.00000
      4     -40.2987      2.00000
      5     -40.2951      2.00000
      6     -40.2943      2.00000
      7      -6.9056      2.00000
      8      -6.8112      2.00000
      9      -6.7394      2.00000
     10      -6.5215      2.00000
     11      -6.3723      2.00000
     12      -6.0458      2.00000
     13      -5.9365      2.00000
     14      -5.9237      2.00000
     15      -5.7803      2.00000
     16      -5.7349      2.00000
     17      -0.3619      2.00000
     18       0.3840      2.00000
     19       0.4957      2.00000
     20       1.0937      2.00000
     21       2.2849      2.03430
     22       3.1130     -0.07329
     23       4.3255      0.00000
     24       5.1563      0.00000

 k-point   197 :      -0.4400    0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3141      2.00000
      2     -40.3125      2.00000
      3     -40.3003      2.00000
      4     -40.2985      2.00000
      5     -40.2948      2.00000
      6     -40.2941      2.00000
      7      -6.8949      2.00000
      8      -6.7990      2.00000
      9      -6.7230      2.00000
     10      -6.5138      2.00000
     11      -6.3678      2.00000
     12      -6.0576      2.00000
     13      -5.9406      2.00000
     14      -5.9381      2.00000
     15      -5.7965      2.00000
     16      -5.7546      2.00000
     17      -1.1567      2.00000
     18      -0.3093      2.00000
     19       1.2831      2.00000
     20       1.3797      2.00000
     21       2.1751      2.06329
     22       3.7100      0.00000
     23       3.9599      0.00000
     24       5.8463      0.00000

 k-point   198 :      -0.4000   -0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3129      2.00000
      2     -40.3115      2.00000
      3     -40.3008      2.00000
      4     -40.2982      2.00000
      5     -40.2944      2.00000
      6     -40.2938      2.00000
      7      -6.8744      2.00000
      8      -6.7753      2.00000
      9      -6.6909      2.00000
     10      -6.4992      2.00000
     11      -6.3591      2.00000
     12      -6.0814      2.00000
     13      -5.9646      2.00000
     14      -5.9519      2.00000
     15      -5.8255      2.00000
     16      -5.7912      2.00000
     17      -1.8933      2.00000
     18      -0.9684      2.00000
     19       0.7380      2.00000
     20       2.2159      2.02192
     21       2.6966      0.44264
     22       3.4862      0.00000
     23       4.8227      0.00000
     24       6.2212      0.00000

 k-point   199 :      -0.3600   -0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3112      2.00000
      2     -40.3101      2.00000
      3     -40.3012      2.00000
      4     -40.2977      2.00000
      5     -40.2939      2.00000
      6     -40.2934      2.00000
      7      -6.8459      2.00000
      8      -6.7411      2.00000
      9      -6.6445      2.00000
     10      -6.4797      2.00000
     11      -6.3472      2.00000
     12      -6.1172      2.00000
     13      -5.9988      2.00000
     14      -5.9776      2.00000
     15      -5.8647      2.00000
     16      -5.8337      2.00000
     17      -2.5670      2.00000
     18      -1.5739      2.00000
     19       0.1629      2.00000
     20       2.1766      2.08191
     21       3.4198     -0.00109
     22       4.1523      0.00000
     23       5.6371      0.00000
     24       5.9945      0.00000

 k-point   200 :      -0.3200    0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.3084      2.00000
      3     -40.3010      2.00000
      4     -40.2970      2.00000
      5     -40.2934      2.00000
      6     -40.2929      2.00000
      7      -6.8119      2.00000
      8      -6.6985      2.00000
      9      -6.5858      2.00000
     10      -6.4587      2.00000
     11      -6.3333      2.00000
     12      -6.1639      2.00000
     13      -6.0342      2.00000
     14      -6.0245      2.00000
     15      -5.9211      2.00000
     16      -5.8601      2.00000
     17      -3.1744      2.00000
     18      -2.1213      2.00000
     19      -0.3646      2.00000
     20       1.7205      2.05697
     21       4.4032      0.00000
     22       5.1093      0.00000
     23       5.3773      0.00000
     24       6.8005      0.00000

 k-point   201 :      -0.2800    0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3088      2.00000
      2     -40.3061      2.00000
      3     -40.3001      2.00000
      4     -40.2963      2.00000
      5     -40.2931      2.00000
      6     -40.2924      2.00000
      7      -6.7759      2.00000
      8      -6.6504      2.00000
      9      -6.5188      2.00000
     10      -6.4429      2.00000
     11      -6.3199      2.00000
     12      -6.2163      2.00000
     13      -6.0884      2.00000
     14      -6.0633      2.00000
     15      -5.9865      2.00000
     16      -5.8718      2.00000
     17      -3.7126      2.00000
     18      -2.6086      2.00000
     19      -0.8349      2.00000
     20       1.2656      2.00000
     21       4.8433      0.00000
     22       5.5458      0.00000
     23       6.1935      0.00000
     24       7.6424      0.00000

 k-point   202 :      -0.2400   -0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3088      2.00000
      2     -40.3036      2.00000
      3     -40.2984      2.00000
      4     -40.2956      2.00000
      5     -40.2927      2.00000
      6     -40.2918      2.00000
      7      -6.7426      2.00000
      8      -6.6003      2.00000
      9      -6.4537      2.00000
     10      -6.4382      2.00000
     11      -6.3111      2.00000
     12      -6.2625      2.00000
     13      -6.1604      2.00000
     14      -6.0775      2.00000
     15      -6.0490      2.00000
     16      -5.8773      2.00000
     17      -4.1791      2.00000
     18      -3.0343      2.00000
     19      -1.2459      2.00000
     20       0.8532      2.00000
     21       4.4908      0.00000
     22       6.6095      0.00000
     23       7.3041      0.00000
     24       7.6539      0.00000

 k-point   203 :      -0.2000   -0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3092      2.00000
      2     -40.3010      2.00000
      3     -40.2963      2.00000
      4     -40.2948      2.00000
      5     -40.2925      2.00000
      6     -40.2913      2.00000
      7      -6.7194      2.00000
      8      -6.5526      2.00000
      9      -6.4607      2.00000
     10      -6.3956      2.00000
     11      -6.3130      2.00000
     12      -6.2822      2.00000
     13      -6.2326      2.00000
     14      -6.0977      2.00000
     15      -6.0692      2.00000
     16      -5.8806      2.00000
     17      -4.5721      2.00000
     18      -3.3978      2.00000
     19      -1.5970      2.00000
     20       0.4936      2.00000
     21       4.1643      0.00000
     22       7.3797      0.00000
     23       7.7382      0.00000
     24       8.5093      0.00000

 k-point   204 :      -0.1600    0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.2986      2.00000
      3     -40.2943      2.00000
      4     -40.2942      2.00000
      5     -40.2923      2.00000
      6     -40.2908      2.00000
      7      -6.7160      2.00000
      8      -6.5140      2.00000
      9      -6.4770      2.00000
     10      -6.3904      2.00000
     11      -6.3314      2.00000
     12      -6.2990      2.00000
     13      -6.2527      2.00000
     14      -6.1244      2.00000
     15      -6.0379      2.00000
     16      -5.8832      2.00000
     17      -4.8906      2.00000
     18      -3.6985      2.00000
     19      -1.8880      2.00000
     20       0.1924      2.00000
     21       3.8922      0.00000
     22       7.1590      0.00000
     23       8.8949      0.00000
     24       9.7163      0.00000

 k-point   205 :      -0.1200   -0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3101      2.00000
      2     -40.2966      2.00000
      3     -40.2936      2.00000
      4     -40.2926      2.00000
      5     -40.2921      2.00000
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      8      -6.5012      2.00000
      9      -6.4657      2.00000
     10      -6.4090      2.00000
     11      -6.3635      2.00000
     12      -6.3525      2.00000
     13      -6.2032      2.00000
     14      -6.1317      2.00000
     15      -5.9917      2.00000
     16      -5.8855      2.00000
     17      -5.1353      2.00000
     18      -3.9356      2.00000
     19      -2.1179      2.00000
     20      -0.0468      2.00000
     21       3.6788     -0.00006
     22       6.9767      0.00000
     23      10.0682      0.00000
     24      10.9360      0.00000

 k-point   206 :      -0.0800    0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3104      2.00000
      2     -40.2948      2.00000
      3     -40.2931      2.00000
      4     -40.2923      2.00000
      5     -40.2910      2.00000
      6     -40.2902      2.00000
      7      -6.7632      2.00000
      8      -6.5044      2.00000
      9      -6.4479      2.00000
     10      -6.4193      2.00000
     11      -6.4018      2.00000
     12      -6.3859      2.00000
     13      -6.1609      2.00000
     14      -6.1296      2.00000
     15      -5.9429      2.00000
     16      -5.8876      2.00000
     17      -5.3085      2.00000
     18      -4.1074      2.00000
     19      -2.2850      2.00000
     20      -0.2204      2.00000
     21       3.5258     -0.06799
     22       6.8435      0.00000
     23      11.1600      0.00000
     24      11.9382      0.00000

 k-point   207 :      -0.0400    0.0000    0.2857
  band No.  band energies     occupation 
      1     -40.3107      2.00000
      2     -40.2937      2.00000
      3     -40.2928      2.00000
      4     -40.2925      2.00000
      5     -40.2902      2.00000
      6     -40.2900      2.00000
      7      -6.7858      2.00000
      8      -6.5132      2.00000
      9      -6.4397      2.00000
     10      -6.4280      2.00000
     11      -6.4161      2.00000
     12      -6.4064      2.00000
     13      -6.1336      2.00000
     14      -6.1258      2.00000
     15      -5.9046      2.00000
     16      -5.8891      2.00000
     17      -5.4130      2.00000
     18      -4.2118      2.00000
     19      -2.3869      2.00000
     20      -0.3258      2.00000
     21       3.4339     -0.14827
     22       6.7626      0.00000
     23      11.5617      0.00000
     24      12.6267      0.00000

 k-point   208 :       0.0400    0.0400    0.2857
  band No.  band energies     occupation 
      1     -40.3105      2.00000
      2     -40.2945      2.00000
      3     -40.2931      2.00000
      4     -40.2923      2.00000
      5     -40.2907      2.00000
      6     -40.2901      2.00000
      7      -6.7702      2.00000
      8      -6.5066      2.00000
      9      -6.4438      2.00000
     10      -6.4223      2.00000
     11      -6.4090      2.00000
     12      -6.3922      2.00000
     13      -6.1503      2.00000
     14      -6.1303      2.00000
     15      -5.9302      2.00000
     16      -5.8886      2.00000
     17      -5.3431      2.00000
     18      -4.1424      2.00000
     19      -2.3186      2.00000
     20      -0.2554      2.00000
     21       3.4947     -0.09455
     22       6.8167      0.00000
     23      11.4924      0.00000
     24      11.9210      0.00000

 k-point   209 :       0.0800    0.0400    0.2857
  band No.  band energies     occupation 
      1     -40.3102      2.00000
      2     -40.2959      2.00000
      3     -40.2935      2.00000
      4     -40.2922      2.00000
      5     -40.2918      2.00000
      6     -40.2903      2.00000
      7      -6.7437      2.00000
      8      -6.5030      2.00000
      9      -6.4510      2.00000
     10      -6.4249      2.00000
     11      -6.3744      2.00000
     12      -6.3663      2.00000
     13      -6.1815      2.00000
     14      -6.1384      2.00000
     15      -5.9700      2.00000
     16      -5.8880      2.00000
     17      -5.2041      2.00000
     18      -4.0054      2.00000
     19      -2.1833      2.00000
     20      -0.1155      2.00000
     21       3.6154     -0.01053
     22       6.9239      0.00000
     23      10.7434      0.00000
     24      11.2393      0.00000

 k-point   210 :       0.1200    0.0400    0.2857
  band No.  band energies     occupation 
      1     -40.3098      2.00000
      2     -40.2977      2.00000
      3     -40.2942      2.00000
      4     -40.2932      2.00000
      5     -40.2922      2.00000
      6     -40.2907      2.00000
      7      -6.7177      2.00000
      8      -6.5099      2.00000
      9      -6.4672      2.00000
     10      -6.4090      2.00000
     11      -6.3394      2.00000
     12      -6.3242      2.00000
     13      -6.2241      2.00000
     14      -6.1437      2.00000
     15      -6.0102      2.00000
     16      -5.8868      2.00000
     17      -4.9946      2.00000
     18      -3.8029      2.00000
     19      -1.9832      2.00000
     20       0.0916      2.00000
     21       3.7945      0.00000
     22       7.0788      0.00000
     23       9.5669      0.00000
     24      10.3573      0.00000

 k-point   211 :       0.1600    0.0400    0.2857
  band No.  band energies     occupation 
      1     -40.3094      2.00000
      2     -40.2999      2.00000
      3     -40.2957      2.00000
      4     -40.2943      2.00000
      5     -40.2924      2.00000
      6     -40.2912      2.00000
      7      -6.7080      2.00000
      8      -6.5342      2.00000
      9      -6.4684      2.00000
     10      -6.3936      2.00000
     11      -6.3186      2.00000
     12      -6.2932      2.00000
     13      -6.2393      2.00000
     14      -6.1366      2.00000
     15      -6.0376      2.00000
     16      -5.8851      2.00000
     17      -4.7122      2.00000
     18      -3.5364      2.00000
     19      -1.7205      2.00000
     20       0.3633      2.00000
     21       4.0298      0.00000
     22       7.2510      0.00000
     23       8.4419      0.00000
     24       9.1338      0.00000

 k-point   212 :       0.2000    0.0400    0.2857
  band No.  band energies     occupation 
      1     -40.3089      2.00000
      2     -40.3023      2.00000
      3     -40.2976      2.00000
      4     -40.2951      2.00000
      5     -40.2926      2.00000
      6     -40.2917      2.00000
      7      -6.7213      2.00000
      8      -6.5757      2.00000
      9      -6.4513      2.00000
     10      -6.4177      2.00000
     11      -6.3170      2.00000
     12      -6.2898      2.00000
     13      -6.1802      2.00000
     14      -6.1125      2.00000
     15      -6.0401      2.00000
     16      -5.8826      2.00000
     17      -4.3556      2.00000
     18      -3.2067      2.00000
     19      -1.3968      2.00000
     20       0.6964      2.00000
     21       4.3174      0.00000
     22       7.0296      0.00000
     23       7.7722      0.00000
     24       7.9488      0.00000

 k-point   213 :       0.2400    0.0400    0.2857
  band No.  band energies     occupation 
      1     -40.3087      2.00000
      2     -40.3049      2.00000
      3     -40.2995      2.00000
      4     -40.2960      2.00000
      5     -40.2929      2.00000
      6     -40.2922      2.00000
      7      -6.7501      2.00000
      8      -6.6239      2.00000
      9      -6.4802      2.00000
     10      -6.4427      2.00000
     11      -6.3178      2.00000
     12      -6.2591      2.00000
     13      -6.1109      2.00000
     14      -6.0824      2.00000
     15      -6.0088      2.00000
     16      -5.8782      2.00000
     17      -3.9252      2.00000
     18      -2.8143      2.00000
     19      -1.0128      2.00000
     20       1.0871      2.00000
     21       4.6464      0.00000
     22       6.0467      0.00000
     23       6.7677      0.00000
     24       7.9039      0.00000

 k-point   214 :       0.2800    0.0400    0.2857
  band No.  band energies     occupation 
      1     -40.3091      2.00000
      2     -40.3073      2.00000
      3     -40.3008      2.00000
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      5     -40.2933      2.00000
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      7      -6.7850      2.00000
      8      -6.6728      2.00000
      9      -6.5483      2.00000
     10      -6.4517      2.00000
     11      -6.3284      2.00000
     12      -6.2075      2.00000
     13      -6.0522      2.00000
     14      -6.0447      2.00000
     15      -5.9545      2.00000
     16      -5.8694      2.00000
     17      -3.4225      2.00000
     18      -2.3597      2.00000
     19      -0.5693      2.00000
     20       1.5298      2.02329
     21       4.8280      0.00000
     22       5.1858      0.00000
     23       5.6610      0.00000
     24       7.3243      0.00000

 k-point   215 :       0.3200    0.0400    0.2857
  band No.  band energies     occupation 
      1     -40.3103      2.00000
      2     -40.3093      2.00000
      3     -40.3012      2.00000
      4     -40.2975      2.00000
      5     -40.2938      2.00000
      6     -40.2932      2.00000
      7      -6.8200      2.00000
      8      -6.7183      2.00000
      9      -6.6105      2.00000
     10      -6.4699      2.00000
     11      -6.3427      2.00000
     12      -6.1531      2.00000
     13      -6.0180      2.00000
     14      -5.9926      2.00000
     15      -5.8979      2.00000
     16      -5.8500      2.00000
     17      -2.8497      2.00000
     18      -1.8438      2.00000
     19      -0.0678      2.00000
     20       2.0100      2.10905
     21       3.9259      0.00000
     22       4.6162      0.00000
     23       5.4157      0.00000
     24       6.4212      0.00000

 k-point   216 :       0.3600    0.0400    0.2857
  band No.  band energies     occupation 
      1     -40.3120      2.00000
      2     -40.3107      2.00000
      3     -40.3010      2.00000
      4     -40.2981      2.00000
      5     -40.2942      2.00000
      6     -40.2937      2.00000
      7      -6.8512      2.00000
      8      -6.7568      2.00000
      9      -6.6622      2.00000
     10      -6.4894      2.00000
     11      -6.3568      2.00000
     12      -6.1067      2.00000
     13      -5.9848      2.00000
     14      -5.9593      2.00000
     15      -5.8523      2.00000
     16      -5.8147      2.00000
     17      -2.2092      2.00000
     18      -1.2685      2.00000
     19       0.4851      2.00000
     20       2.4132      1.93003
     21       3.0377     -0.02267
     22       3.6761      0.00000
     23       5.1744      0.00000
     24       6.1019      0.00000

 k-point   217 :       0.4000    0.0400    0.2857
  band No.  band energies     occupation 
      1     -40.3135      2.00000
      2     -40.3119      2.00000
      3     -40.3006      2.00000
      4     -40.2986      2.00000
      5     -40.2946      2.00000
      6     -40.2941      2.00000
      7      -6.8756      2.00000
      8      -6.7859      2.00000
      9      -6.7006      2.00000
     10      -6.5056      2.00000
     11      -6.3682      2.00000
     12      -6.0730      2.00000
     13      -5.9577      2.00000
     14      -5.9415      2.00000
     15      -5.8178      2.00000
     16      -5.7764      2.00000
     17      -1.5041      2.00000
     18      -0.6366      2.00000
     19       1.0553      2.00000
     20       1.8612      2.00547
     21       2.6334      0.85303
     22       3.3662      0.00000
     23       4.3786      0.00000
     24       6.0710      0.00000

 k-point   218 :       0.4400    0.0400    0.2857
  band No.  band energies     occupation 
      1     -40.3144      2.00000
      2     -40.3127      2.00000
      3     -40.3002      2.00000
      4     -40.2989      2.00000
      5     -40.2949      2.00000
      6     -40.2943      2.00000
      7      -6.8912      2.00000
      8      -6.8039      2.00000
      9      -6.7242      2.00000
     10      -6.5162      2.00000
     11      -6.3755      2.00000
     12      -6.0531      2.00000
     13      -5.9436      2.00000
     14      -5.9292      2.00000
     15      -5.7948      2.00000
     16      -5.7497      2.00000
     17      -0.7382      2.00000
     18       0.0454      2.00000
     19       0.9438      2.00000
     20       1.3621      2.00000
     21       2.2248      2.09755
     22       3.3652     -0.04276
     23       4.1062      0.00000
     24       5.4853      0.00000

 k-point   219 :       0.4800    0.0400    0.2857
  band No.  band energies     occupation 
      1     -40.3147      2.00000
      2     -40.3130      2.00000
      3     -40.3000      2.00000
      4     -40.2990      2.00000
      5     -40.2950      2.00000
      6     -40.2945      2.00000
      7      -6.8966      2.00000
      8      -6.8098      2.00000
      9      -6.7322      2.00000
     10      -6.5199      2.00000
     11      -6.3780      2.00000
     12      -6.0465      2.00000
     13      -5.9403      2.00000
     14      -5.9240      2.00000
     15      -5.7867      2.00000
     16      -5.7403      2.00000
     17       0.0651      2.00000
     18       0.1006      2.00000
     19       0.7002      2.00000
     20       0.8481      2.00000
     21       2.5894      1.57634
     22       2.8111      0.00340
     23       4.5502      0.00000
     24       4.9571      0.00000

 k-point   220 :      -0.4800    0.0400    0.2857
  band No.  band energies     occupation 
      1     -40.3144      2.00000
      2     -40.3127      2.00000
      3     -40.3002      2.00000
      4     -40.2989      2.00000
      5     -40.2949      2.00000
      6     -40.2944      2.00000
      7      -6.8912      2.00000
      8      -6.8035      2.00000
      9      -6.7243      2.00000
     10      -6.5163      2.00000
     11      -6.3755      2.00000
     12      -6.0530      2.00000
     13      -5.9437      2.00000
     14      -5.9299      2.00000
     15      -5.7948      2.00000
     16      -5.7497      2.00000
     17      -0.7393      2.00000
     18       0.0621      2.00000
     19       0.9558      2.00000
     20       1.3661      2.00000
     21       2.0950      2.08305
     22       3.5267     -0.02054
     23       4.0537      0.00000
     24       5.5173      0.00000

 k-point   221 :      -0.4400    0.0400    0.2857
  band No.  band energies     occupation 
      1     -40.3135      2.00000
      2     -40.3119      2.00000
      3     -40.3006      2.00000
      4     -40.2986      2.00000
      5     -40.2946      2.00000
      6     -40.2941      2.00000
      7      -6.8756      2.00000
      8      -6.7852      2.00000
      9      -6.7007      2.00000
     10      -6.5056      2.00000
     11      -6.3682      2.00000
     12      -6.0727      2.00000
     13      -5.9587      2.00000
     14      -5.9421      2.00000
     15      -5.8178      2.00000
     16      -5.7764      2.00000
     17      -1.5047      2.00000
     18      -0.6202      2.00000
     19       1.0558      2.00000
     20       1.8488      2.00408
     21       2.4794      1.44097
     22       3.5351      0.00000
     23       4.3995      0.00000
     24       6.1541      0.00000

 k-point   222 :      -0.4000    0.0400    0.2857
  band No.  band energies     occupation 
      1     -40.3120      2.00000
      2     -40.3107      2.00000
      3     -40.3010      2.00000
      4     -40.2981      2.00000
      5     -40.2942      2.00000
      6     -40.2937      2.00000
      7      -6.8512      2.00000
      8      -6.7558      2.00000
      9      -6.6623      2.00000
     10      -6.4892      2.00000
     11      -6.3568      2.00000
     12      -6.1063      2.00000
     13      -5.9869      2.00000
     14      -5.9596      2.00000
     15      -5.8522      2.00000
     16      -5.8147      2.00000
     17      -2.2096      2.00000
     18      -1.2533      2.00000
     19       0.4712      2.00000
     20       2.3558      1.99081
     21       3.0006     -0.04853
     22       3.7632      0.00000
     23       5.2950      0.00000
     24       6.1171      0.00000

 k-point   223 :      -0.3600    0.0400    0.2857
  band No.  band energies     occupation 
      1     -40.3103      2.00000
      2     -40.3093      2.00000
      3     -40.3012      2.00000
      4     -40.2975      2.00000
      5     -40.2938      2.00000
      6     -40.2933      2.00000
      7      -6.8201      2.00000
      8      -6.7169      2.00000
      9      -6.6107      2.00000
     10      -6.4694      2.00000
     11      -6.3428      2.00000
     12      -6.1528      2.00000
     13      -6.0209      2.00000
     14      -5.9928      2.00000
     15      -5.8980      2.00000
     16      -5.8499      2.00000
     17      -2.8501      2.00000
     18      -1.8301      2.00000
     19      -0.0828      2.00000
     20       1.9792      2.11223
     21       3.9280      0.00000
     22       4.6388      0.00000
     23       5.5841      0.00000
     24       6.3495      0.00000

 k-point   224 :      -0.3200    0.0400    0.2857
  band No.  band energies     occupation 
      1     -40.3091      2.00000
      2     -40.3073      2.00000
      3     -40.3008      2.00000
      4     -40.2968      2.00000
      5     -40.2933      2.00000
      6     -40.2928      2.00000
      7      -6.7851      2.00000
      8      -6.6712      2.00000
      9      -6.5484      2.00000
     10      -6.4507      2.00000
     11      -6.3284      2.00000
     12      -6.2074      2.00000
     13      -6.0558      2.00000
     14      -6.0446      2.00000
     15      -5.9550      2.00000
     16      -5.8693      2.00000
     17      -3.4230      2.00000
     18      -2.3477      2.00000
     19      -0.5824      2.00000
     20       1.5135      2.01058
     21       4.8620      0.00000
     22       5.2394      0.00000
     23       5.6747      0.00000
     24       7.2938      0.00000

 k-point   225 :      -0.2800    0.0400    0.2857
  band No.  band energies     occupation 
      1     -40.3087      2.00000
      2     -40.3048      2.00000
      3     -40.2995      2.00000
      4     -40.2960      2.00000
      5     -40.2929      2.00000
      6     -40.2922      2.00000
      7      -6.7503      2.00000
      8      -6.6221      2.00000
      9      -6.4805      2.00000
     10      -6.4411      2.00000
     11      -6.3180      2.00000
     12      -6.2590      2.00000
     13      -6.1112      2.00000
     14      -6.0853      2.00000
     15      -6.0099      2.00000
     16      -5.8781      2.00000
     17      -3.9258      2.00000
     18      -2.8044      2.00000
     19      -1.0232      2.00000
     20       1.0780      2.00000
     21       4.6907      0.00000
     22       6.0839      0.00000
     23       6.7616      0.00000
     24       7.7395      0.00000

 k-point   226 :      -0.2400    0.0400    0.2857
  band No.  band energies     occupation 
      1     -40.3089      2.00000
      2     -40.3023      2.00000
      3     -40.2976      2.00000
      4     -40.2951      2.00000
      5     -40.2926      2.00000
      6     -40.2917      2.00000
      7      -6.7216      2.00000
      8      -6.5739      2.00000
      9      -6.4497      2.00000
     10      -6.4184      2.00000
     11      -6.3174      2.00000
     12      -6.2892      2.00000
     13      -6.1802      2.00000
     14      -6.1141      2.00000
     15      -6.0426      2.00000
     16      -5.8825      2.00000
     17      -4.3562      2.00000
     18      -3.1991      2.00000
     19      -1.4042      2.00000
     20       0.6915      2.00000
     21       4.3426      0.00000
     22       7.1845      0.00000
     23       7.5157      0.00000
     24       7.9293      0.00000

 k-point   227 :      -0.2000    0.0400    0.2857
  band No.  band energies     occupation 
      1     -40.3093      2.00000
      2     -40.2999      2.00000
      3     -40.2957      2.00000
      4     -40.2943      2.00000
      5     -40.2924      2.00000
      6     -40.2912      2.00000
      7      -6.7083      2.00000
      8      -6.5323      2.00000
      9      -6.4679      2.00000
     10      -6.3940      2.00000
     11      -6.3192      2.00000
     12      -6.2924      2.00000
     13      -6.2392      2.00000
     14      -6.1370      2.00000
     15      -6.0402      2.00000
     16      -5.8850      2.00000
     17      -4.7128      2.00000
     18      -3.5312      2.00000
     19      -1.7252      2.00000
     20       0.3609      2.00000
     21       4.0427      0.00000
     22       7.2849      0.00000
     23       8.3300      0.00000
     24       9.1001      0.00000

 k-point   228 :      -0.1600    0.0400    0.2857
  band No.  band energies     occupation 
      1     -40.3098      2.00000
      2     -40.2977      2.00000
      3     -40.2942      2.00000
      4     -40.2932      2.00000
      5     -40.2922      2.00000
      6     -40.2907      2.00000
      7      -6.7179      2.00000
      8      -6.5084      2.00000
      9      -6.4676      2.00000
     10      -6.4088      2.00000
     11      -6.3397      2.00000
     12      -6.3239      2.00000
     13      -6.2242      2.00000
     14      -6.1438      2.00000
     15      -6.0116      2.00000
     16      -5.8868      2.00000
     17      -4.9951      2.00000
     18      -3.8001      2.00000
     19      -1.9856      2.00000
     20       0.0906      2.00000
     21       3.8000      0.00000
     22       7.0817      0.00000
     23       9.4979      0.00000
     24      10.2725      0.00000

 k-point   229 :      -0.1200    0.0400    0.2857
  band No.  band energies     occupation 
      1     -40.3102      2.00000
      2     -40.2959      2.00000
      3     -40.2935      2.00000
      4     -40.2922      2.00000
      5     -40.2918      2.00000
      6     -40.2903      2.00000
      7      -6.7438      2.00000
      8      -6.5026      2.00000
      9      -6.4514      2.00000
     10      -6.4245      2.00000
     11      -6.3746      2.00000
     12      -6.3662      2.00000
     13      -6.1818      2.00000
     14      -6.1384      2.00000
     15      -5.9704      2.00000
     16      -5.8880      2.00000
     17      -5.2043      2.00000
     18      -4.0044      2.00000
     19      -2.1841      2.00000
     20      -0.1158      2.00000
     21       3.6170     -0.01058
     22       6.9238      0.00000
     23      10.6573      0.00000
     24      11.2535      0.00000

 k-point   230 :       0.0800    0.0800    0.2857
  band No.  band energies     occupation 
      1     -40.3099      2.00000
      2     -40.2973      2.00000
      3     -40.2943      2.00000
      4     -40.2928      2.00000
      5     -40.2922      2.00000
      6     -40.2907      2.00000
      7      -6.7176      2.00000
      8      -6.5112      2.00000
      9      -6.4421      2.00000
     10      -6.4375      2.00000
     11      -6.3400      2.00000
     12      -6.3332      2.00000
     13      -6.2051      2.00000
     14      -6.1612      2.00000
     15      -5.9973      2.00000
     16      -5.8901      2.00000
     17      -5.0292      2.00000
     18      -3.8351      2.00000
     19      -2.0173      2.00000
     20       0.0569      2.00000
     21       3.7672      0.00000
     22       7.0552      0.00000
     23      10.0961      0.00000
     24      10.1830      0.00000

 k-point   231 :       0.1200    0.0800    0.2857
  band No.  band energies     occupation 
      1     -40.3094      2.00000
      2     -40.2992      2.00000
      3     -40.2957      2.00000
      4     -40.2937      2.00000
      5     -40.2923      2.00000
      6     -40.2912      2.00000
      7      -6.6963      2.00000
      8      -6.5282      2.00000
      9      -6.4537      2.00000
     10      -6.4214      2.00000
     11      -6.3163      2.00000
     12      -6.3033      2.00000
     13      -6.2184      2.00000
     14      -6.1787      2.00000
     15      -6.0143      2.00000
     16      -5.8919      2.00000
     17      -4.7813      2.00000
     18      -3.6010      2.00000
     19      -1.7868      2.00000
     20       0.2955      2.00000
     21       3.9748      0.00000
     22       7.2262      0.00000
     23       9.0117      0.00000
     24       9.5796      0.00000

 k-point   232 :       0.1600    0.0800    0.2857
  band No.  band energies     occupation 
      1     -40.3090      2.00000
      2     -40.3014      2.00000
      3     -40.2974      2.00000
      4     -40.2947      2.00000
      5     -40.2925      2.00000
      6     -40.2917      2.00000
      7      -6.6944      2.00000
      8      -6.5544      2.00000
      9      -6.4546      2.00000
     10      -6.4110      2.00000
     11      -6.3285      2.00000
     12      -6.3002      2.00000
     13      -6.1944      2.00000
     14      -6.1546      2.00000
     15      -6.0181      2.00000
     16      -5.8920      2.00000
     17      -4.4594      2.00000
     18      -3.3031      2.00000
     19      -1.4942      2.00000
     20       0.5970      2.00000
     21       4.2370      0.00000
     22       7.3272      0.00000
     23       8.0076      0.00000
     24       8.5699      0.00000

 k-point   233 :       0.2000    0.0800    0.2857
  band No.  band energies     occupation 
      1     -40.3087      2.00000
      2     -40.3038      2.00000
      3     -40.2992      2.00000
      4     -40.2956      2.00000
      5     -40.2929      2.00000
      6     -40.2922      2.00000
      7      -6.7134      2.00000
      8      -6.5933      2.00000
      9      -6.4596      2.00000
     10      -6.4260      2.00000
     11      -6.3390      2.00000
     12      -6.2958      2.00000
     13      -6.1530      2.00000
     14      -6.0991      2.00000
     15      -6.0057      2.00000
     16      -5.8892      2.00000
     17      -4.0640      2.00000
     18      -2.9421      2.00000
     19      -1.1406      2.00000
     20       0.9582      2.00000
     21       4.5479      0.00000
     22       6.6116      0.00000
     23       7.3914      0.00000
     24       7.8910      0.00000

 k-point   234 :       0.2400    0.0800    0.2857
  band No.  band energies     occupation 
      1     -40.3088      2.00000
      2     -40.3061      2.00000
      3     -40.3006      2.00000
      4     -40.2965      2.00000
      5     -40.2934      2.00000
      6     -40.2927      2.00000
      7      -6.7437      2.00000
      8      -6.6392      2.00000
      9      -6.5098      2.00000
     10      -6.4408      2.00000
     11      -6.3304      2.00000
     12      -6.2720      2.00000
     13      -6.1005      2.00000
     14      -6.0470      2.00000
     15      -5.9749      2.00000
     16      -5.8813      2.00000
     17      -3.5962      2.00000
     18      -2.5184      2.00000
     19      -0.7266      2.00000
     20       1.3748      2.00016
     21       4.8793      0.00000
     22       5.5926      0.00000
     23       6.2664      0.00000
     24       7.7390      0.00000

 k-point   235 :       0.2800    0.0800    0.2857
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.3083      2.00000
      3     -40.3013      2.00000
      4     -40.2974      2.00000
      5     -40.2940      2.00000
      6     -40.2931      2.00000
      7      -6.7771      2.00000
      8      -6.6857      2.00000
      9      -6.5687      2.00000
     10      -6.4589      2.00000
     11      -6.3408      2.00000
     12      -6.2171      2.00000
     13      -6.0481      2.00000
     14      -6.0074      2.00000
     15      -5.9341      2.00000
     16      -5.8633      2.00000
     17      -3.0581      2.00000
     18      -2.0331      2.00000
     19      -0.2534      2.00000
     20       1.8390      2.08100
     21       4.4752      0.00000
     22       5.1886      0.00000
     23       5.3412      0.00000
     24       6.8758      0.00000

 k-point   236 :       0.3200    0.0800    0.2857
  band No.  band energies     occupation 
      1     -40.3111      2.00000
      2     -40.3099      2.00000
      3     -40.3013      2.00000
      4     -40.2982      2.00000
      5     -40.2945      2.00000
      6     -40.2936      2.00000
      7      -6.8088      2.00000
      8      -6.7282      2.00000
      9      -6.6207      2.00000
     10      -6.4778      2.00000
     11      -6.3573      2.00000
     12      -6.1582      2.00000
     13      -6.0076      2.00000
     14      -5.9747      2.00000
     15      -5.8968      2.00000
     16      -5.8329      2.00000
     17      -2.4519      2.00000
     18      -1.4874      2.00000
     19       0.2757      2.00000
     20       2.3186      1.95179
     21       3.5100      0.00000
     22       4.1923      0.00000
     23       5.5001      0.00000
     24       6.1656      0.00000

 k-point   237 :       0.3600    0.0800    0.2857
  band No.  band energies     occupation 
      1     -40.3126      2.00000
      2     -40.3112      2.00000
      3     -40.3009      2.00000
      4     -40.2988      2.00000
      5     -40.2948      2.00000
      6     -40.2941      2.00000
      7      -6.8354      2.00000
      8      -6.7628      2.00000
      9      -6.6617      2.00000
     10      -6.4937      2.00000
     11      -6.3732      2.00000
     12      -6.1080      2.00000
     13      -5.9815      2.00000
     14      -5.9509      2.00000
     15      -5.8614      2.00000
     16      -5.8004      2.00000
     17      -1.7803      2.00000
     18      -0.8837      2.00000
     19       0.8469      2.00000
     20       2.3404      1.98960
     21       2.9285     -0.06607
     22       3.4078      0.00000
     23       4.8368      0.00000
     24       6.2273      0.00000

 k-point   238 :       0.4000    0.0800    0.2857
  band No.  band energies     occupation 
      1     -40.3138      2.00000
      2     -40.3121      2.00000
      3     -40.3005      2.00000
      4     -40.2993      2.00000
      5     -40.2950      2.00000
      6     -40.2945      2.00000
      7      -6.8547      2.00000
      8      -6.7871      2.00000
      9      -6.6898      2.00000
     10      -6.5051      2.00000
     11      -6.3853      2.00000
     12      -6.0729      2.00000
     13      -5.9642      2.00000
     14      -5.9381      2.00000
     15      -5.8302      2.00000
     16      -5.7765      2.00000
     17      -1.0465      2.00000
     18      -0.2259      2.00000
     19       1.3245      2.00000
     20       1.5357      2.00000
     21       2.3957      1.75549
     22       3.5874      0.00000
     23       4.1153      0.00000
     24       5.8835      0.00000

 k-point   239 :       0.4400    0.0800    0.2857
  band No.  band energies     occupation 
      1     -40.3143      2.00000
      2     -40.3126      2.00000
      3     -40.3001      2.00000
      4     -40.2997      2.00000
      5     -40.2950      2.00000
      6     -40.2948      2.00000
      7      -6.8648      2.00000
      8      -6.7995      2.00000
      9      -6.7041      2.00000
     10      -6.5109      2.00000
     11      -6.3918      2.00000
     12      -6.0555      2.00000
     13      -5.9539      2.00000
     14      -5.9335      2.00000
     15      -5.8117      2.00000
     16      -5.7645      2.00000
     17      -0.2549      2.00000
     18       0.4729      2.00000
     19       0.5862      2.00000
     20       1.2049      2.00000
     21       2.4772      1.70030
     22       3.0953     -0.02141
     23       4.4243      0.00000
     24       5.2216      0.00000

 k-point   240 :       0.4800    0.0800    0.2857
  band No.  band energies     occupation 
      1     -40.3143      2.00000
      2     -40.3126      2.00000
      3     -40.3001      2.00000
      4     -40.2997      2.00000
      5     -40.2950      2.00000
      6     -40.2948      2.00000
      7      -6.8648      2.00000
      8      -6.7993      2.00000
      9      -6.7041      2.00000
     10      -6.5110      2.00000
     11      -6.3918      2.00000
     12      -6.0554      2.00000
     13      -5.9540      2.00000
     14      -5.9339      2.00000
     15      -5.8117      2.00000
     16      -5.7645      2.00000
     17      -0.2573      2.00000
     18       0.4891      2.00000
     19       0.5920      2.00000
     20       1.1989      2.00000
     21       2.3697      1.91145
     22       3.2073     -0.03377
     23       4.4149      0.00000
     24       5.2305      0.00000

 k-point   241 :      -0.4800    0.0800    0.2857
  band No.  band energies     occupation 
      1     -40.3137      2.00000
      2     -40.3121      2.00000
      3     -40.3005      2.00000
      4     -40.2993      2.00000
      5     -40.2950      2.00000
      6     -40.2945      2.00000
      7      -6.8547      2.00000
      8      -6.7866      2.00000
      9      -6.6899      2.00000
     10      -6.5051      2.00000
     11      -6.3854      2.00000
     12      -6.0727      2.00000
     13      -5.9646      2.00000
     14      -5.9388      2.00000
     15      -5.8301      2.00000
     16      -5.7764      2.00000
     17      -1.0477      2.00000
     18      -0.2100      2.00000
     19       1.3887      2.00000
     20       1.4812      2.00000
     21       2.2550      2.04175
     22       3.8032      0.00000
     23       4.0492      0.00000
     24       5.9176      0.00000

 k-point   242 :      -0.4400    0.0800    0.2857
  band No.  band energies     occupation 
      1     -40.3126      2.00000
      2     -40.3112      2.00000
      3     -40.3009      2.00000
      4     -40.2988      2.00000
      5     -40.2948      2.00000
      6     -40.2941      2.00000
      7      -6.8355      2.00000
      8      -6.7620      2.00000
      9      -6.6618      2.00000
     10      -6.4937      2.00000
     11      -6.3733      2.00000
     12      -6.1077      2.00000
     13      -5.9827      2.00000
     14      -5.9515      2.00000
     15      -5.8613      2.00000
     16      -5.8004      2.00000
     17      -1.7810      2.00000
     18      -0.8690      2.00000
     19       0.8399      2.00000
     20       2.3135      2.00639
     21       2.7836      0.17428
     22       3.5706      0.00000
     23       4.9125      0.00000
     24       6.3004      0.00000

 k-point   243 :      -0.4000    0.0800    0.2857
  band No.  band energies     occupation 
      1     -40.3111      2.00000
      2     -40.3100      2.00000
      3     -40.3013      2.00000
      4     -40.2982      2.00000
      5     -40.2944      2.00000
      6     -40.2936      2.00000
      7      -6.8089      2.00000
      8      -6.7270      2.00000
      9      -6.6208      2.00000
     10      -6.4776      2.00000
     11      -6.3574      2.00000
     12      -6.1579      2.00000
     13      -6.0097      2.00000
     14      -5.9748      2.00000
     15      -5.8968      2.00000
     16      -5.8329      2.00000
     17      -2.4523      2.00000
     18      -1.4744      2.00000
     19       0.2630      2.00000
     20       2.2745      2.01791
     21       3.5067      0.00000
     22       4.2294      0.00000
     23       5.7197      0.00000
     24       6.0773      0.00000

 k-point   244 :      -0.3600    0.0800    0.2857
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.3083      2.00000
      3     -40.3013      2.00000
      4     -40.2974      2.00000
      5     -40.2939      2.00000
      6     -40.2931      2.00000
      7      -6.7773      2.00000
      8      -6.6843      2.00000
      9      -6.5687      2.00000
     10      -6.4585      2.00000
     11      -6.3409      2.00000
     12      -6.2170      2.00000
     13      -6.0504      2.00000
     14      -6.0073      2.00000
     15      -5.9348      2.00000
     16      -5.8631      2.00000
     17      -3.0585      2.00000
     18      -2.0219      2.00000
     19      -0.2655      2.00000
     20       1.8183      2.08208
     21       4.4881      0.00000
     22       5.1783      0.00000
     23       5.4556      0.00000
     24       6.8865      0.00000

 k-point   245 :      -0.3200    0.0800    0.2857
  band No.  band energies     occupation 
      1     -40.3088      2.00000
      2     -40.3061      2.00000
      3     -40.3006      2.00000
      4     -40.2965      2.00000
      5     -40.2934      2.00000
      6     -40.2927      2.00000
      7      -6.7439      2.00000
      8      -6.6376      2.00000
      9      -6.5099      2.00000
     10      -6.4399      2.00000
     11      -6.3307      2.00000
     12      -6.2719      2.00000
     13      -6.1024      2.00000
     14      -6.0470      2.00000
     15      -5.9764      2.00000
     16      -5.8810      2.00000
     17      -3.5966      2.00000
     18      -2.5094      2.00000
     19      -0.7364      2.00000
     20       1.3641      2.00000
     21       4.9274      0.00000
     22       5.6227      0.00000
     23       6.2507      0.00000
     24       7.7176      0.00000

 k-point   246 :      -0.2800    0.0800    0.2857
  band No.  band energies     occupation 
      1     -40.3087      2.00000
      2     -40.3037      2.00000
      3     -40.2992      2.00000
      4     -40.2956      2.00000
      5     -40.2929      2.00000
      6     -40.2922      2.00000
      7      -6.7137      2.00000
      8      -6.5917      2.00000
      9      -6.4594      2.00000
     10      -6.4253      2.00000
     11      -6.3396      2.00000
     12      -6.2955      2.00000
     13      -6.1542      2.00000
     14      -6.0992      2.00000
     15      -6.0078      2.00000
     16      -5.8889      2.00000
     17      -4.0644      2.00000
     18      -2.9354      2.00000
     19      -1.1475      2.00000
     20       0.9527      2.00000
     21       4.5751      0.00000
     22       6.6846      0.00000
     23       7.3485      0.00000
     24       7.6817      0.00000

 k-point   247 :      -0.2400    0.0800    0.2857
  band No.  band energies     occupation 
      1     -40.3090      2.00000
      2     -40.3013      2.00000
      3     -40.2975      2.00000
      4     -40.2946      2.00000
      5     -40.2925      2.00000
      6     -40.2918      2.00000
      7      -6.6947      2.00000
      8      -6.5529      2.00000
      9      -6.4543      2.00000
     10      -6.4111      2.00000
     11      -6.3290      2.00000
     12      -6.2996      2.00000
     13      -6.1948      2.00000
     14      -6.1550      2.00000
     15      -6.0200      2.00000
     16      -5.8918      2.00000
     17      -4.4598      2.00000
     18      -3.2989      2.00000
     19      -1.4983      2.00000
     20       0.5945      2.00000
     21       4.2500      0.00000
     22       7.4484      0.00000
     23       7.8082      0.00000
     24       8.4638      0.00000

 k-point   248 :      -0.2000    0.0800    0.2857
  band No.  band energies     occupation 
      1     -40.3095      2.00000
      2     -40.2992      2.00000
      3     -40.2957      2.00000
      4     -40.2937      2.00000
      5     -40.2923      2.00000
      6     -40.2912      2.00000
      7      -6.6965      2.00000
      8      -6.5273      2.00000
      9      -6.4540      2.00000
     10      -6.4210      2.00000
     11      -6.3172      2.00000
     12      -6.3026      2.00000
     13      -6.2183      2.00000
     14      -6.1789      2.00000
     15      -6.0153      2.00000
     16      -5.8919      2.00000
     17      -4.7815      2.00000
     18      -3.5991      2.00000
     19      -1.7885      2.00000
     20       0.2947      2.00000
     21       3.9793      0.00000
     22       7.2336      0.00000
     23       8.9588      0.00000
     24       9.4503      0.00000

 k-point   249 :       0.1200    0.1200    0.2857
  band No.  band energies     occupation 
      1     -40.3090      2.00000
      2     -40.3010      2.00000
      3     -40.2974      2.00000
      4     -40.2944      2.00000
      5     -40.2925      2.00000
      6     -40.2918      2.00000
      7      -6.6802      2.00000
      8      -6.5489      2.00000
      9      -6.4421      2.00000
     10      -6.4328      2.00000
     11      -6.3177      2.00000
     12      -6.3021      2.00000
     13      -6.2157      2.00000
     14      -6.1627      2.00000
     15      -6.0085      2.00000
     16      -5.8973      2.00000
     17      -4.4936      2.00000
     18      -3.3337      2.00000
     19      -1.5282      2.00000
     20       0.5629      2.00000
     21       4.2146      0.00000
     22       7.4035      0.00000
     23       8.4240      0.00000
     24       8.4920      0.00000

 k-point   250 :       0.1600    0.1200    0.2857
  band No.  band energies     occupation 
      1     -40.3087      2.00000
      2     -40.3030      2.00000
      3     -40.2992      2.00000
      4     -40.2952      2.00000
      5     -40.2930      2.00000
      6     -40.2922      2.00000
      7      -6.6811      2.00000
      8      -6.5731      2.00000
      9      -6.4648      2.00000
     10      -6.4118      2.00000
     11      -6.3509      2.00000
     12      -6.3009      2.00000
     13      -6.2100      2.00000
     14      -6.0981      2.00000
     15      -5.9967      2.00000
     16      -5.8993      2.00000
     17      -4.1319      2.00000
     18      -3.0044      2.00000
     19      -1.2058      2.00000
     20       0.8926      2.00000
     21       4.5021      0.00000
     22       7.1581      0.00000
     23       7.8434      0.00000
     24       7.9416      0.00000

 k-point   251 :       0.2000    0.1200    0.2857
  band No.  band energies     occupation 
      1     -40.3086      2.00000
      2     -40.3052      2.00000
      3     -40.3007      2.00000
      4     -40.2961      2.00000
      5     -40.2937      2.00000
      6     -40.2926      2.00000
      7      -6.6996      2.00000
      8      -6.6066      2.00000
      9      -6.4991      2.00000
     10      -6.4019      2.00000
     11      -6.3638      2.00000
     12      -6.3053      2.00000
     13      -6.1684      2.00000
     14      -6.0419      2.00000
     15      -5.9790      2.00000
     16      -5.8934      2.00000
     17      -3.6980      2.00000
     18      -2.6120      2.00000
     19      -0.8221      2.00000
     20       1.2802      2.00000
     21       4.8314      0.00000
     22       6.1752      0.00000
     23       6.9068      0.00000
     24       7.5871      0.00000

 k-point   252 :       0.2400    0.1200    0.2857
  band No.  band energies     occupation 
      1     -40.3091      2.00000
      2     -40.3073      2.00000
      3     -40.3015      2.00000
      4     -40.2971      2.00000
      5     -40.2944      2.00000
      6     -40.2930      2.00000
      7      -6.7263      2.00000
      8      -6.6485      2.00000
      9      -6.5412      2.00000
     10      -6.4320      2.00000
     11      -6.3430      2.00000
     12      -6.2879      2.00000
     13      -6.1094      2.00000
     14      -6.0100      2.00000
     15      -5.9539      2.00000
     16      -5.8746      2.00000
     17      -3.1940      2.00000
     18      -2.1574      2.00000
     19      -0.3779      2.00000
     20       1.7205      2.06622
     21       5.0002      0.00000
     22       5.3401      0.00000
     23       5.8213      0.00000
     24       7.0704      0.00000

 k-point   253 :       0.2800    0.1200    0.2857
  band No.  band energies     occupation 
      1     -40.3102      2.00000
      2     -40.3090      2.00000
      3     -40.3017      2.00000
      4     -40.2980      2.00000
      5     -40.2950      2.00000
      6     -40.2934      2.00000
      7      -6.7545      2.00000
      8      -6.6920      2.00000
      9      -6.5826      2.00000
     10      -6.4577      2.00000
     11      -6.3565      2.00000
     12      -6.2304      2.00000
     13      -6.0459      2.00000
     14      -5.9958      2.00000
     15      -5.9327      2.00000
     16      -5.8441      2.00000
     17      -2.6220      2.00000
     18      -1.6418      2.00000
     19       0.1247      2.00000
     20       2.2003      2.01002
     21       4.0856      0.00000
     22       4.7863      0.00000
     23       5.5937      0.00000
     24       6.4071      0.00000

 k-point   254 :       0.3200    0.1200    0.2857
  band No.  band energies     occupation 
      1     -40.3116      2.00000
      2     -40.3103      2.00000
      3     -40.3015      2.00000
      4     -40.2988      2.00000
      5     -40.2954      2.00000
      6     -40.2938      2.00000
      7      -6.7800      2.00000
      8      -6.7312      2.00000
      9      -6.6182      2.00000
     10      -6.4764      2.00000
     11      -6.3769      2.00000
     12      -6.1687      2.00000
     13      -5.9992      2.00000
     14      -5.9777      2.00000
     15      -5.9165      2.00000
     16      -5.8150      2.00000
     17      -1.9846      2.00000
     18      -1.0672      2.00000
     19       0.6789      2.00000
     20       2.6130      1.41538
     21       3.1982     -0.00828
     22       3.8493      0.00000
     23       5.3164      0.00000
     24       6.2157      0.00000

 k-point   255 :       0.3600    0.1200    0.2857
  band No.  band energies     occupation 
      1     -40.3128      2.00000
      2     -40.3113      2.00000
      3     -40.3012      2.00000
      4     -40.2994      2.00000
      5     -40.2957      2.00000
      6     -40.2943      2.00000
      7      -6.8003      2.00000
      8      -6.7615      2.00000
      9      -6.6450      2.00000
     10      -6.4882      2.00000
     11      -6.3959      2.00000
     12      -6.1153      2.00000
     13      -5.9884      2.00000
     14      -5.9508      2.00000
     15      -5.8903      2.00000
     16      -5.7972      2.00000
     17      -1.2845      2.00000
     18      -0.4366      2.00000
     19       1.2487      2.00000
     20       2.0638      2.07498
     21       2.8074      0.04769
     22       3.5407      0.00000
     23       4.5230      0.00000
     24       6.2707      0.00000

 k-point   256 :       0.4000    0.1200    0.2857
  band No.  band energies     occupation 
      1     -40.3136      2.00000
      2     -40.3120      2.00000
      3     -40.3010      2.00000
      4     -40.2998      2.00000
      5     -40.2957      2.00000
      6     -40.2947      2.00000
      7      -6.8134      2.00000
      8      -6.7804      2.00000
      9      -6.6617      2.00000
     10      -6.4944      2.00000
     11      -6.4093      2.00000
     12      -6.0787      2.00000
     13      -5.9793      2.00000
     14      -5.9498      2.00000
     15      -5.8547      2.00000
     16      -5.7935      2.00000
     17      -0.5255      2.00000
     18       0.2436      2.00000
     19       1.1342      2.00000
     20       1.5796      2.00000
     21       2.3967      1.81554
     22       3.5510     -0.00360
     23       4.2475      0.00000
     24       5.6557      0.00000

 k-point   257 :       0.4400    0.1200    0.2857
  band No.  band energies     occupation 
      1     -40.3139      2.00000
      2     -40.3122      2.00000
      3     -40.3009      2.00000
      4     -40.2999      2.00000
      5     -40.2957      2.00000
      6     -40.2949      2.00000
      7      -6.8180      2.00000
      8      -6.7867      2.00000
      9      -6.6673      2.00000
     10      -6.4962      2.00000
     11      -6.4142      2.00000
     12      -6.0657      2.00000
     13      -5.9708      2.00000
     14      -5.9568      2.00000
     15      -5.8363      2.00000
     16      -5.7970      2.00000
     17       0.2428      2.00000
     18       0.3314      2.00000
     19       0.8926      2.00000
     20       1.0587      2.00000
     21       2.7582      0.56979
     22       3.0035     -0.00525
     23       4.7061      0.00000
     24       5.1160      0.00000

 k-point   258 :       0.4800    0.1200    0.2857
  band No.  band energies     occupation 
      1     -40.3136      2.00000
      2     -40.3120      2.00000
      3     -40.3010      2.00000
      4     -40.2998      2.00000
      5     -40.2957      2.00000
      6     -40.2947      2.00000
      7      -6.8134      2.00000
      8      -6.7801      2.00000
      9      -6.6617      2.00000
     10      -6.4944      2.00000
     11      -6.4093      2.00000
     12      -6.0785      2.00000
     13      -5.9795      2.00000
     14      -5.9502      2.00000
     15      -5.8547      2.00000
     16      -5.7934      2.00000
     17      -0.5279      2.00000
     18       0.2585      2.00000
     19       1.1548      2.00000
     20       1.5864      2.00000
     21       2.2517      2.07086
     22       3.7150     -0.00133
     23       4.2270      0.00000
     24       5.6439      0.00000

 k-point   259 :      -0.4800    0.1200    0.2857
  band No.  band energies     occupation 
      1     -40.3128      2.00000
      2     -40.3114      2.00000
      3     -40.3012      2.00000
      4     -40.2994      2.00000
      5     -40.2956      2.00000
      6     -40.2943      2.00000
      7      -6.8003      2.00000
      8      -6.7609      2.00000
      9      -6.6450      2.00000
     10      -6.4883      2.00000
     11      -6.3959      2.00000
     12      -6.1150      2.00000
     13      -5.9889      2.00000
     14      -5.9515      2.00000
     15      -5.8902      2.00000
     16      -5.7971      2.00000
     17      -1.2857      2.00000
     18      -0.4231      2.00000
     19       1.2612      2.00000
     20       2.0432      2.04615
     21       2.6474      0.70490
     22       3.7096      0.00000
     23       4.5795      0.00000
     24       6.2744      0.00000

 k-point   260 :      -0.4400    0.1200    0.2857
  band No.  band energies     occupation 
      1     -40.3116      2.00000
      2     -40.3104      2.00000
      3     -40.3015      2.00000
      4     -40.2988      2.00000
      5     -40.2954      2.00000
      6     -40.2939      2.00000
      7      -6.7801      2.00000
      8      -6.7303      2.00000
      9      -6.6182      2.00000
     10      -6.4765      2.00000
     11      -6.3770      2.00000
     12      -6.1685      2.00000
     13      -6.0005      2.00000
     14      -5.9779      2.00000
     15      -5.9165      2.00000
     16      -5.8149      2.00000
     17      -1.9853      2.00000
     18      -1.0556      2.00000
     19       0.6712      2.00000
     20       2.5508      1.69176
     21       3.1749     -0.03241
     22       3.9180      0.00000
     23       5.4682      0.00000
     24       6.2597      0.00000

 k-point   261 :      -0.4000    0.1200    0.2857
  band No.  band energies     occupation 
      1     -40.3102      2.00000
      2     -40.3091      2.00000
      3     -40.3017      2.00000
      4     -40.2980      2.00000
      5     -40.2950      2.00000
      6     -40.2934      2.00000
      7      -6.7546      2.00000
      8      -6.6910      2.00000
      9      -6.5826      2.00000
     10      -6.4577      2.00000
     11      -6.3566      2.00000
     12      -6.2303      2.00000
     13      -6.0472      2.00000
     14      -5.9960      2.00000
     15      -5.9331      2.00000
     16      -5.8440      2.00000
     17      -2.6224      2.00000
     18      -1.6323      2.00000
     19       0.1151      2.00000
     20       2.1732      2.02732
     21       4.0985      0.00000
     22       4.7764      0.00000
     23       5.7318      0.00000
     24       6.5176      0.00000

 k-point   262 :      -0.3600    0.1200    0.2857
  band No.  band energies     occupation 
      1     -40.3091      2.00000
      2     -40.3073      2.00000
      3     -40.3015      2.00000
      4     -40.2971      2.00000
      5     -40.2944      2.00000
      6     -40.2930      2.00000
      7      -6.7265      2.00000
      8      -6.6472      2.00000
      9      -6.5411      2.00000
     10      -6.4318      2.00000
     11      -6.3433      2.00000
     12      -6.2878      2.00000
     13      -6.1103      2.00000
     14      -6.0102      2.00000
     15      -5.9550      2.00000
     16      -5.8743      2.00000
     17      -3.1943      2.00000
     18      -2.1501      2.00000
     19      -0.3858      2.00000
     20       1.7085      2.05826
     21       5.0330      0.00000
     22       5.3864      0.00000
     23       5.7794      0.00000
     24       7.4026      0.00000

 k-point   263 :      -0.3200    0.1200    0.2857
  band No.  band energies     occupation 
      1     -40.3086      2.00000
      2     -40.3052      2.00000
      3     -40.3007      2.00000
      4     -40.2961      2.00000
      5     -40.2937      2.00000
      6     -40.2926      2.00000
      7      -6.6998      2.00000
      8      -6.6053      2.00000
      9      -6.4991      2.00000
     10      -6.4014      2.00000
     11      -6.3644      2.00000
     12      -6.3052      2.00000
     13      -6.1692      2.00000
     14      -6.0418      2.00000
     15      -5.9805      2.00000
     16      -5.8931      2.00000
     17      -3.6982      2.00000
     18      -2.6071      2.00000
     19      -0.8273      2.00000
     20       1.2748      2.00000
     21       4.8564      0.00000
     22       6.2336      0.00000
     23       6.7920      0.00000
     24       7.6247      0.00000

 k-point   264 :      -0.2800    0.1200    0.2857
  band No.  band energies     occupation 
      1     -40.3087      2.00000
      2     -40.3030      2.00000
      3     -40.2992      2.00000
      4     -40.2952      2.00000
      5     -40.2930      2.00000
      6     -40.2922      2.00000
      7      -6.6813      2.00000
      8      -6.5722      2.00000
      9      -6.4647      2.00000
     10      -6.4118      2.00000
     11      -6.3509      2.00000
     12      -6.3009      2.00000
     13      -6.2104      2.00000
     14      -6.0980      2.00000
     15      -5.9977      2.00000
     16      -5.8991      2.00000
     17      -4.1320      2.00000
     18      -3.0020      2.00000
     19      -1.2082      2.00000
     20       0.8907      2.00000
     21       4.5112      0.00000
     22       7.3258      0.00000
     23       7.5331      0.00000
     24       7.8118      0.00000

 k-point   265 :       0.1600    0.1600    0.2857
  band No.  band energies     occupation 
      1     -40.3086      2.00000
      2     -40.3048      2.00000
      3     -40.3007      2.00000
      4     -40.2959      2.00000
      5     -40.2939      2.00000
      6     -40.2925      2.00000
      7      -6.6780      2.00000
      8      -6.5905      2.00000
      9      -6.5020      2.00000
     10      -6.3931      2.00000
     11      -6.3680      2.00000
     12      -6.3091      2.00000
     13      -6.2087      2.00000
     14      -6.0391      2.00000
     15      -5.9791      2.00000
     16      -5.8989      2.00000
     17      -3.7315      2.00000
     18      -2.6413      2.00000
     19      -0.8557      2.00000
     20       1.2467      2.00000
     21       4.8206      0.00000
     22       6.7368      0.00000
     23       6.8842      0.00000
     24       7.5683      0.00000

 k-point   266 :       0.2000    0.1600    0.2857
  band No.  band energies     occupation 
      1     -40.3089      2.00000
      2     -40.3066      2.00000
      3     -40.3018      2.00000
      4     -40.2967      2.00000
      5     -40.2948      2.00000
      6     -40.2929      2.00000
      7      -6.6879      2.00000
      8      -6.6162      2.00000
      9      -6.5392      2.00000
     10      -6.3997      2.00000
     11      -6.3544      2.00000
     12      -6.3202      2.00000
     13      -6.1739      2.00000
     14      -6.0054      2.00000
     15      -5.9638      2.00000
     16      -5.8812      2.00000
     17      -3.2608      2.00000
     18      -2.2178      2.00000
     19      -0.4415      2.00000
     20       1.6586      2.05249
     21       5.1514      0.00000
     22       5.7625      0.00000
     23       6.3880      0.00000
     24       6.6308      0.00000

 k-point   267 :       0.2400    0.1600    0.2857
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.3082      2.00000
      3     -40.3022      2.00000
      4     -40.2977      2.00000
      5     -40.2957      2.00000
      6     -40.2933      2.00000
      7      -6.7051      2.00000
      8      -6.6529      2.00000
      9      -6.5683      2.00000
     10      -6.4236      2.00000
     11      -6.3515      2.00000
     12      -6.2961      2.00000
     13      -6.1166      2.00000
     14      -5.9988      2.00000
     15      -5.9514      2.00000
     16      -5.8500      2.00000
     17      -2.7224      2.00000
     18      -1.7327      2.00000
     19       0.0328      2.00000
     20       2.1192      2.01770
     21       4.6972      0.00000
     22       5.4307      0.00000
     23       5.5853      0.00000
     24       6.1497      0.00000

 k-point   268 :       0.2800    0.1600    0.2857
  band No.  band energies     occupation 
      1     -40.3107      2.00000
      2     -40.3095      2.00000
      3     -40.3023      2.00000
      4     -40.2986      2.00000
      5     -40.2963      2.00000
      6     -40.2937      2.00000
      7      -6.7242      2.00000
      8      -6.6916      2.00000
      9      -6.5909      2.00000
     10      -6.4455      2.00000
     11      -6.3740      2.00000
     12      -6.2396      2.00000
     13      -6.0497      2.00000
     14      -6.0019      2.00000
     15      -5.9470      2.00000
     16      -5.8219      2.00000
     17      -2.1189      2.00000
     18      -1.1880      2.00000
     19       0.5635      2.00000
     20       2.6004      1.04718
     21       3.7444      0.00000
     22       4.4484      0.00000
     23       5.6525      0.00000
     24       5.9142      0.00000

 k-point   269 :       0.3200    0.1600    0.2857
  band No.  band energies     occupation 
      1     -40.3118      2.00000
      2     -40.3105      2.00000
      3     -40.3022      2.00000
      4     -40.2993      2.00000
      5     -40.2966      2.00000
      6     -40.2942      2.00000
      7      -6.7423      2.00000
      8      -6.7238      2.00000
      9      -6.6079      2.00000
     10      -6.4611      2.00000
     11      -6.3989      2.00000
     12      -6.1797      2.00000
     13      -6.0065      2.00000
     14      -5.9826      2.00000
     15      -5.9514      2.00000
     16      -5.8071      2.00000
     17      -1.4529      2.00000
     18      -0.5859      2.00000
     19       1.1354      2.00000
     20       2.6378      1.24625
     21       3.1718     -0.02604
     22       3.6618      0.00000
     23       4.9933      0.00000
     24       5.9256      0.00000

 k-point   270 :       0.3600    0.1600    0.2857
  band No.  band energies     occupation 
      1     -40.3127      2.00000
      2     -40.3112      2.00000
      3     -40.3022      2.00000
      4     -40.2998      2.00000
      5     -40.2966      2.00000
      6     -40.2946      2.00000
      7      -6.7581      2.00000
      8      -6.7444      2.00000
      9      -6.6193      2.00000
     10      -6.4686      2.00000
     11      -6.4212      2.00000
     12      -6.1261      2.00000
     13      -6.0086      2.00000
     14      -5.9673      2.00000
     15      -5.9194      2.00000
     16      -5.8093      2.00000
     17      -0.7279      2.00000
     18       0.0691      2.00000
     19       1.5849      2.00000
     20       1.8741      2.01129
     21       2.6528      0.17994
     22       3.8425      0.00000
     23       4.3118      0.00000
     24       5.7483      0.00000

 k-point   271 :       0.4000    0.1600    0.2857
  band No.  band energies     occupation 
      1     -40.3132      2.00000
      2     -40.3115      2.00000
      3     -40.3022      2.00000
      4     -40.3000      2.00000
      5     -40.2965      2.00000
      6     -40.2949      2.00000
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     10      -6.4696      2.00000
     11      -6.4360      2.00000
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     13      -6.0050      2.00000
     14      -5.9866      2.00000
     15      -5.8702      2.00000
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     17       0.0497      2.00000
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     19       0.8998      2.00000
     20       1.5144      2.00000
     21       2.7431      0.11747
     22       3.3578     -0.00075
     23       4.6136      0.00000
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 k-point   272 :       0.4400    0.1600    0.2857
  band No.  band energies     occupation 
      1     -40.3132      2.00000
      2     -40.3115      2.00000
      3     -40.3022      2.00000
      4     -40.3000      2.00000
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     10      -6.4697      2.00000
     11      -6.4360      2.00000
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     13      -6.0053      2.00000
     14      -5.9865      2.00000
     15      -5.8704      2.00000
     16      -5.8277      2.00000
     17       0.0456      2.00000
     18       0.7521      2.00000
     19       0.9242      2.00000
     20       1.5084      2.00000
     21       2.6176      0.77169
     22       3.4893     -0.00120
     23       4.6374      0.00000
     24       5.3854      0.00000

 k-point   273 :       0.4800    0.1600    0.2857
  band No.  band energies     occupation 
      1     -40.3127      2.00000
      2     -40.3112      2.00000
      3     -40.3022      2.00000
      4     -40.2998      2.00000
      5     -40.2966      2.00000
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      7      -6.7579      2.00000
      8      -6.7444      2.00000
      9      -6.6192      2.00000
     10      -6.4688      2.00000
     11      -6.4212      2.00000
     12      -6.1260      2.00000
     13      -6.0089      2.00000
     14      -5.9675      2.00000
     15      -5.9197      2.00000
     16      -5.8092      2.00000
     17      -0.7299      2.00000
     18       0.0808      2.00000
     19       1.6833      2.00000
     20       1.7969      2.00000
     21       2.4918      1.27988
     22       4.0622      0.00000
     23       4.3103      0.00000
     24       5.8133      0.00000

 k-point   274 :      -0.4800    0.1600    0.2857
  band No.  band energies     occupation 
      1     -40.3118      2.00000
      2     -40.3106      2.00000
      3     -40.3022      2.00000
      4     -40.2993      2.00000
      5     -40.2965      2.00000
      6     -40.2942      2.00000
      7      -6.7420      2.00000
      8      -6.7236      2.00000
      9      -6.6078      2.00000
     10      -6.4613      2.00000
     11      -6.3989      2.00000
     12      -6.1796      2.00000
     13      -6.0069      2.00000
     14      -5.9831      2.00000
     15      -5.9514      2.00000
     16      -5.8071      2.00000
     17      -1.4539      2.00000
     18      -0.5761      2.00000
     19       1.1383      2.00000
     20       2.6008      1.52786
     21       3.0430     -0.07641
     22       3.7998      0.00000
     23       5.1688      0.00000
     24       5.9628      0.00000

 k-point   275 :      -0.4400    0.1600    0.2857
  band No.  band energies     occupation 
      1     -40.3107      2.00000
      2     -40.3096      2.00000
      3     -40.3023      2.00000
      4     -40.2986      2.00000
      5     -40.2962      2.00000
      6     -40.2937      2.00000
      7      -6.7241      2.00000
      8      -6.6911      2.00000
      9      -6.5908      2.00000
     10      -6.4457      2.00000
     11      -6.3740      2.00000
     12      -6.2395      2.00000
     13      -6.0501      2.00000
     14      -6.0024      2.00000
     15      -5.9472      2.00000
     16      -5.8219      2.00000
     17      -2.1194      2.00000
     18      -1.1805      2.00000
     19       0.5580      2.00000
     20       2.5615      1.28903
     21       3.7638      0.00000
     22       4.4204      0.00000
     23       5.8737      0.00000
     24       6.2982      0.00000

 k-point   276 :      -0.4000    0.1600    0.2857
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.3082      2.00000
      3     -40.3022      2.00000
      4     -40.2977      2.00000
      5     -40.2956      2.00000
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      7      -6.7052      2.00000
      8      -6.6522      2.00000
      9      -6.5683      2.00000
     10      -6.4238      2.00000
     11      -6.3515      2.00000
     12      -6.2961      2.00000
     13      -6.1169      2.00000
     14      -5.9992      2.00000
     15      -5.9517      2.00000
     16      -5.8499      2.00000
     17      -2.7226      2.00000
     18      -1.7277      2.00000
     19       0.0277      2.00000
     20       2.1062      2.03063
     21       4.7364      0.00000
     22       5.3028      0.00000
     23       5.6394      0.00000
     24       6.5188      0.00000

 k-point   277 :      -0.3600    0.1600    0.2857
  band No.  band energies     occupation 
      1     -40.3089      2.00000
      2     -40.3066      2.00000
      3     -40.3018      2.00000
      4     -40.2968      2.00000
      5     -40.2948      2.00000
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      7      -6.6880      2.00000
      8      -6.6156      2.00000
      9      -6.5392      2.00000
     10      -6.3999      2.00000
     11      -6.3543      2.00000
     12      -6.3202      2.00000
     13      -6.1742      2.00000
     14      -6.0054      2.00000
     15      -5.9643      2.00000
     16      -5.8811      2.00000
     17      -3.2609      2.00000
     18      -2.2153      2.00000
     19      -0.4443      2.00000
     20       1.6547      2.04963
     21       5.1687      0.00000
     22       5.8395      0.00000
     23       6.1367      0.00000
     24       6.9756      0.00000

 k-point   278 :       0.2000    0.2000    0.2857
  band No.  band energies     occupation 
      1     -40.3094      2.00000
      2     -40.3079      2.00000
      3     -40.3025      2.00000
      4     -40.2974      2.00000
      5     -40.2960      2.00000
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      7      -6.6843      2.00000
      8      -6.6328      2.00000
      9      -6.5660      2.00000
     10      -6.4139      2.00000
     11      -6.3418      2.00000
     12      -6.3176      2.00000
     13      -6.1586      2.00000
     14      -5.9974      2.00000
     15      -5.9586      2.00000
     16      -5.8518      2.00000
     17      -2.7556      2.00000
     18      -1.7612      2.00000
     19       0.0004      2.00000
     20       2.0871      2.03371
     21       5.2268      0.00000
     22       5.4212      0.00000
     23       5.6451      0.00000
     24       6.1464      0.00000

 k-point   279 :       0.2400    0.2000    0.2857
  band No.  band energies     occupation 
      1     -40.3102      2.00000
      2     -40.3090      2.00000
      3     -40.3029      2.00000
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      7      -6.6880      2.00000
      8      -6.6609      2.00000
      9      -6.5781      2.00000
     10      -6.4222      2.00000
     11      -6.3654      2.00000
     12      -6.2809      2.00000
     13      -6.1185      2.00000
     14      -6.0044      2.00000
     15      -5.9591      2.00000
     16      -5.8245      2.00000
     17      -2.1853      2.00000
     18      -1.2466      2.00000
     19       0.5042      2.00000
     20       2.5599      1.10466
     21       4.3511      0.00000
     22       5.0364      0.00000
     23       5.2405      0.00000
     24       5.8484      0.00000

 k-point   280 :       0.2800    0.2000    0.2857
  band No.  band energies     occupation 
      1     -40.3110      2.00000
      2     -40.3098      2.00000
      3     -40.3032      2.00000
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      5     -40.2974      2.00000
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      7      -6.7041      2.00000
      8      -6.6788      2.00000
      9      -6.5864      2.00000
     10      -6.4302      2.00000
     11      -6.3900      2.00000
     12      -6.2378      2.00000
     13      -6.0648      2.00000
     14      -6.0128      2.00000
     15      -5.9663      2.00000
     16      -5.8110      2.00000
     17      -1.5531      2.00000
     18      -0.6741      2.00000
     19       1.0591      2.00000
     20       2.9872     -0.10544
     21       3.4825      0.00000
     22       4.1898      0.00000
     23       4.8823      0.00000
     24       5.7806      0.00000

 k-point   281 :       0.3200    0.2000    0.2857
  band No.  band energies     occupation 
      1     -40.3117      2.00000
      2     -40.3104      2.00000
      3     -40.3035      2.00000
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      5     -40.2973      2.00000
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      7      -6.7264      2.00000
      8      -6.6840      2.00000
      9      -6.5918      2.00000
     10      -6.4408      2.00000
     11      -6.4106      2.00000
     12      -6.1886      2.00000
     13      -6.0386      2.00000
     14      -6.0014      2.00000
     15      -5.9685      2.00000
     16      -5.8148      2.00000
     17      -0.8623      2.00000
     18      -0.0469      2.00000
     19       1.6232      2.00000
     20       2.4582      1.67946
     21       3.1441     -0.00156
     22       3.8253      0.00000
     23       4.5536      0.00000
     24       5.2652      0.00000

 k-point   282 :       0.3600    0.2000    0.2857
  band No.  band energies     occupation 
      1     -40.3122      2.00000
      2     -40.3107      2.00000
      3     -40.3037      2.00000
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      5     -40.2971      2.00000
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      7      -6.7416      2.00000
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     10      -6.4518      2.00000
     11      -6.4231      2.00000
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     13      -6.0503      2.00000
     14      -6.0075      2.00000
     15      -5.9232      2.00000
     16      -5.8363      2.00000
     17      -0.1180      2.00000
     18       0.6259      2.00000
     19       1.5055      2.00000
     20       2.0062      2.00000
     21       2.7432      0.00063
     22       3.8100      0.00000
     23       4.4563      0.00000
     24       4.9271      0.00000

 k-point   283 :       0.4000    0.2000    0.2857
  band No.  band energies     occupation 
      1     -40.3124      2.00000
      2     -40.3108      2.00000
      3     -40.3038      2.00000
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     10      -6.4568      2.00000
     11      -6.4271      2.00000
     12      -6.1120      2.00000
     13      -6.0655      2.00000
     14      -6.0136      2.00000
     15      -5.8754      2.00000
     16      -5.8722      2.00000
     17       0.5903      2.00000
     18       0.7552      2.00000
     19       1.2798      2.00000
     20       1.4775      2.00000
     21       3.0656     -0.13710
     22       3.3793      0.00000
     23       4.6518      0.00000
     24       4.9753      0.00000

 k-point   284 :       0.4400    0.2000    0.2857
  band No.  band energies     occupation 
      1     -40.3122      2.00000
      2     -40.3107      2.00000
      3     -40.3036      2.00000
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      9      -6.5935      2.00000
     10      -6.4520      2.00000
     11      -6.4231      2.00000
     12      -6.1402      2.00000
     13      -6.0506      2.00000
     14      -6.0073      2.00000
     15      -5.9235      2.00000
     16      -5.8361      2.00000
     17      -0.1209      2.00000
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     19       1.5512      2.00000
     20       2.0124      2.00000
     21       2.5506      0.58550
     22       4.0852      0.00000
     23       4.4022      0.00000
     24       5.1024      0.00000

 k-point   285 :       0.4800    0.2000    0.2857
  band No.  band energies     occupation 
      1     -40.3117      2.00000
      2     -40.3104      2.00000
      3     -40.3034      2.00000
      4     -40.2998      2.00000
      5     -40.2973      2.00000
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      7      -6.7260      2.00000
      8      -6.6842      2.00000
      9      -6.5916      2.00000
     10      -6.4411      2.00000
     11      -6.4106      2.00000
     12      -6.1885      2.00000
     13      -6.0388      2.00000
     14      -6.0012      2.00000
     15      -5.9689      2.00000
     16      -5.8147      2.00000
     17      -0.8637      2.00000
     18      -0.0394      2.00000
     19       1.6526      2.00000
     20       2.4261      1.75464
     21       2.9706     -0.08105
     22       3.9743      0.00000
     23       4.8804      0.00000
     24       5.1553      0.00000

 k-point   286 :      -0.4800    0.2000    0.2857
  band No.  band energies     occupation 
      1     -40.3110      2.00000
      2     -40.3099      2.00000
      3     -40.3032      2.00000
      4     -40.2989      2.00000
      5     -40.2974      2.00000
      6     -40.2941      2.00000
      7      -6.7035      2.00000
      8      -6.6791      2.00000
      9      -6.5862      2.00000
     10      -6.4304      2.00000
     11      -6.3900      2.00000
     12      -6.2377      2.00000
     13      -6.0649      2.00000
     14      -6.0131      2.00000
     15      -5.9664      2.00000
     16      -5.8109      2.00000
     17      -1.5537      2.00000
     18      -0.6689      2.00000
     19       1.0595      2.00000
     20       2.9243     -0.01816
     21       3.5176      0.00000
     22       4.1060      0.00000
     23       5.2575      0.00000
     24       5.6206      0.00000

 k-point   287 :      -0.4400    0.2000    0.2857
  band No.  band energies     occupation 
      1     -40.3102      2.00000
      2     -40.3090      2.00000
      3     -40.3028      2.00000
      4     -40.2981      2.00000
      5     -40.2970      2.00000
      6     -40.2936      2.00000
      7      -6.6877      2.00000
      8      -6.6610      2.00000
      9      -6.5779      2.00000
     10      -6.4224      2.00000
     11      -6.3653      2.00000
     12      -6.2808      2.00000
     13      -6.1185      2.00000
     14      -6.0046      2.00000
     15      -5.9591      2.00000
     16      -5.8245      2.00000
     17      -2.1855      2.00000
     18      -1.2441      2.00000
     19       0.5022      2.00000
     20       2.5475      1.14969
     21       4.4198      0.00000
     22       4.7665      0.00000
     23       5.6182      0.00000
     24       5.8763      0.00000

 k-point   288 :       0.2400    0.2400    0.2857
  band No.  band energies     occupation 
      1     -40.3106      2.00000
      2     -40.3096      2.00000
      3     -40.3035      2.00000
      4     -40.2985      2.00000
      5     -40.2980      2.00000
      6     -40.2940      2.00000
      7      -6.6801      2.00000
      8      -6.6737      2.00000
      9      -6.5709      2.00000
     10      -6.4193      2.00000
     11      -6.3872      2.00000
     12      -6.2510      2.00000
     13      -6.1090      2.00000
     14      -6.0164      2.00000
     15      -5.9702      2.00000
     16      -5.8119      2.00000
     17      -1.5866      2.00000
     18      -0.7016      2.00000
     19       1.0328      2.00000
     20       3.0023      0.00429
     21       3.9769      0.00000
     22       4.2223      0.00000
     23       4.8854      0.00000
     24       5.2536      0.00000

 k-point   289 :       0.2800    0.2400    0.2857
  band No.  band energies     occupation 
      1     -40.3110      2.00000
      2     -40.3099      2.00000
      3     -40.3043      2.00000
      4     -40.2998      2.00000
      5     -40.2978      2.00000
      6     -40.2945      2.00000
      7      -6.7000      2.00000
      8      -6.6599      2.00000
      9      -6.5663      2.00000
     10      -6.4204      2.00000
     11      -6.3976      2.00000
     12      -6.2224      2.00000
     13      -6.0923      2.00000
     14      -6.0261      2.00000
     15      -5.9775      2.00000
     16      -5.8162      2.00000
     17      -0.9295      2.00000
     18      -0.1036      2.00000
     19       1.6013      2.00000
     20       3.0854     -0.17791
     21       3.4294      0.00000
     22       4.0406      0.00000
     23       4.0568      0.00000
     24       5.0457      0.00000

 k-point   290 :       0.3200    0.2400    0.2857
  band No.  band energies     occupation 
      1     -40.3113      2.00000
      2     -40.3100      2.00000
      3     -40.3049      2.00000
      4     -40.3008      2.00000
      5     -40.2974      2.00000
      6     -40.2949      2.00000
      7      -6.7152      2.00000
      8      -6.6449      2.00000
      9      -6.5699      2.00000
     10      -6.4390      2.00000
     11      -6.3846      2.00000
     12      -6.1936      2.00000
     13      -6.0962      2.00000
     14      -6.0278      2.00000
     15      -5.9618      2.00000
     16      -5.8374      2.00000
     17      -0.2193      2.00000
     18       0.5436      2.00000
     19       2.0083      2.00000
     20       2.4003      1.80264
     21       3.0725      0.00000
     22       3.6958      0.00000
     23       4.1751      0.00000
     24       4.9105      0.00000

 k-point   291 :       0.3600    0.2400    0.2857
  band No.  band energies     occupation 
      1     -40.3114      2.00000
      2     -40.3100      2.00000
      3     -40.3053      2.00000
      4     -40.3014      2.00000
      5     -40.2970      2.00000
      6     -40.2953      2.00000
      7      -6.7231      2.00000
      8      -6.6332      2.00000
      9      -6.5760      2.00000
     10      -6.4515      2.00000
     11      -6.3755      2.00000
     12      -6.1597      2.00000
     13      -6.1234      2.00000
     14      -6.0297      2.00000
     15      -5.9218      2.00000
     16      -5.8719      2.00000
     17       0.5294      2.00000
     18       1.1764      2.00000
     19       1.4186      2.00000
     20       2.0192      2.00000
     21       3.1596      0.00000
     22       3.5020      0.00000
     23       4.2385      0.00000
     24       4.3541      0.00000

 k-point   292 :       0.4000    0.2400    0.2857
  band No.  band energies     occupation 
      1     -40.3114      2.00000
      2     -40.3100      2.00000
      3     -40.3053      2.00000
      4     -40.3014      2.00000
      5     -40.2970      2.00000
      6     -40.2953      2.00000
      7      -6.7230      2.00000
      8      -6.6333      2.00000
      9      -6.5759      2.00000
     10      -6.4515      2.00000
     11      -6.3755      2.00000
     12      -6.1596      2.00000
     13      -6.1236      2.00000
     14      -6.0296      2.00000
     15      -5.9220      2.00000
     16      -5.8718      2.00000
     17       0.5270      2.00000
     18       1.1510      2.00000
     19       1.4866      2.00000
     20       1.9992      2.00000
     21       2.9387     -0.01462
     22       3.9415      0.00000
     23       3.9860      0.00000
     24       4.4205      0.00000

 k-point   293 :       0.4400    0.2400    0.2857
  band No.  band energies     occupation 
      1     -40.3113      2.00000
      2     -40.3100      2.00000
      3     -40.3049      2.00000
      4     -40.3008      2.00000
      5     -40.2974      2.00000
      6     -40.2949      2.00000
      7      -6.7150      2.00000
      8      -6.6451      2.00000
      9      -6.5698      2.00000
     10      -6.4391      2.00000
     11      -6.3846      2.00000
     12      -6.1935      2.00000
     13      -6.0963      2.00000
     14      -6.0277      2.00000
     15      -5.9620      2.00000
     16      -5.8374      2.00000
     17      -0.2208      2.00000
     18       0.5475      2.00000
     19       2.1193      2.00000
     20       2.3270      1.89993
     21       2.8336     -0.01145
     22       3.9041      0.00000
     23       4.4795      0.00000
     24       4.6887      0.00000

 k-point   294 :       0.4800    0.2400    0.2857
  band No.  band energies     occupation 
      1     -40.3110      2.00000
      2     -40.3099      2.00000
      3     -40.3043      2.00000
      4     -40.2998      2.00000
      5     -40.2978      2.00000
      6     -40.2945      2.00000
      7      -6.6998      2.00000
      8      -6.6601      2.00000
      9      -6.5662      2.00000
     10      -6.4206      2.00000
     11      -6.3976      2.00000
     12      -6.2224      2.00000
     13      -6.0923      2.00000
     14      -6.0262      2.00000
     15      -5.9776      2.00000
     16      -5.8162      2.00000
     17      -0.9300      2.00000
     18      -0.1010      2.00000
     19       1.6087      2.00000
     20       3.0454     -0.14648
     21       3.4172      0.00000
     22       3.7884      0.00000
     23       4.6865      0.00000
     24       4.7232      0.00000

 k-point   295 :       0.2800    0.2800    0.2857
  band No.  band energies     occupation 
      1     -40.3108      2.00000
      2     -40.3097      2.00000
      3     -40.3055      2.00000
      4     -40.3011      2.00000
      5     -40.2975      2.00000
      6     -40.2949      2.00000
      7      -6.7014      2.00000
      8      -6.6409      2.00000
      9      -6.5535      2.00000
     10      -6.4101      2.00000
     11      -6.3902      2.00000
     12      -6.2027      2.00000
     13      -6.1303      2.00000
     14      -6.0368      2.00000
     15      -5.9728      2.00000
     16      -5.8374      2.00000
     17      -0.2536      2.00000
     18       0.5172      2.00000
     19       2.1474      2.00000
     20       2.8723     -0.01961
     21       3.0369      0.00000
     22       3.6109      0.00000
     23       3.8728      0.00000
     24       4.8161      0.00000

 k-point   296 :       0.3200    0.2800    0.2857
  band No.  band energies     occupation 
      1     -40.3105      2.00000
      2     -40.3094      2.00000
      3     -40.3065      2.00000
      4     -40.3020      2.00000
      5     -40.2970      2.00000
      6     -40.2954      2.00000
      7      -6.7039      2.00000
      8      -6.6193      2.00000
      9      -6.5624      2.00000
     10      -6.4081      2.00000
     11      -6.3549      2.00000
     12      -6.1972      2.00000
     13      -6.1674      2.00000
     14      -6.0388      2.00000
     15      -5.9518      2.00000
     16      -5.8707      2.00000
     17       0.4654      2.00000
     18       1.1658      2.00000
     19       2.0315      2.00000
     20       2.5512      1.77575
     21       2.9734     -0.02802
     22       3.2417      0.00000
     23       3.6728      0.00000
     24       4.6982      0.00000

 k-point   297 :       0.3600    0.2800    0.2857
  band No.  band energies     occupation 
      1     -40.3103      2.00000
      2     -40.3092      2.00000
      3     -40.3069      2.00000
      4     -40.3025      2.00000
      5     -40.2968      2.00000
      6     -40.2957      2.00000
      7      -6.7049      2.00000
      8      -6.6046      2.00000
      9      -6.5745      2.00000
     10      -6.4085      2.00000
     11      -6.3299      2.00000
     12      -6.2115      2.00000
     13      -6.1751      2.00000
     14      -6.0381      2.00000
     15      -5.9269      2.00000
     16      -5.8997      2.00000
     17       1.1010      2.00000
     18       1.3133      2.00000
     19       1.8435      2.00000
     20       2.0838      2.00000
     21       2.8436     -0.07370
     22       3.4917      0.00000
     23       3.9203      0.00000
     24       4.0285      0.00000

 k-point   298 :       0.4000    0.2800    0.2857
  band No.  band energies     occupation 
      1     -40.3105      2.00000
      2     -40.3094      2.00000
      3     -40.3065      2.00000
      4     -40.3021      2.00000
      5     -40.2970      2.00000
      6     -40.2954      2.00000
      7      -6.7038      2.00000
      8      -6.6194      2.00000
      9      -6.5623      2.00000
     10      -6.4081      2.00000
     11      -6.3550      2.00000
     12      -6.1971      2.00000
     13      -6.1675      2.00000
     14      -6.0387      2.00000
     15      -5.9519      2.00000
     16      -5.8706      2.00000
     17       0.4645      2.00000
     18       1.1618      2.00000
     19       2.1064      2.00000
     20       2.5578      1.77739
     21       2.7011      0.00713
     22       3.4717      0.00000
     23       3.6937      0.00000
     24       4.6441      0.00000

 k-point   299 :       0.3200    0.3200    0.2857
  band No.  band energies     occupation 
      1     -40.3095      2.00000
      2     -40.3089      2.00000
      3     -40.3079      2.00000
      4     -40.3029      2.00000
      5     -40.2965      2.00000
      6     -40.2959      2.00000
      7      -6.6965      2.00000
      8      -6.5990      2.00000
      9      -6.5763      2.00000
     10      -6.3457      2.00000
     11      -6.3362      2.00000
     12      -6.2531      2.00000
     13      -6.1892      2.00000
     14      -6.0392      2.00000
     15      -5.9358      2.00000
     16      -5.9056      2.00000
     17       1.1579      2.00000
     18       1.6130      2.00000
     19       2.1054      2.00000
     20       2.2248      2.00000
     21       2.5785      0.52326
     22       2.9757      0.00000
     23       3.8842      0.00000
     24       4.4899      0.00000

 k-point   300 :       0.0000    0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3109      2.00000
      2     -40.2933      2.00000
      3     -40.2928      2.00000
      4     -40.2928      2.00000
      5     -40.2900      2.00000
      6     -40.2900      2.00000
      7      -6.7946      2.00000
      8      -6.5167      2.00000
      9      -6.4370      2.00000
     10      -6.4370      2.00000
     11      -6.4135      2.00000
     12      -6.4135      2.00000
     13      -6.1242      2.00000
     14      -6.1242      2.00000
     15      -5.8897      2.00000
     16      -5.8897      2.00000
     17      -5.4017      2.00000
     18      -4.4217      2.00000
     19      -1.8062      2.00000
     20      -1.0945      2.00000
     21       4.3698      0.00000
     22       5.6573      0.00000
     23      12.6033      0.00000
     24      13.3339      0.00000

 k-point   301 :       0.0400    0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3108      2.00000
      2     -40.2938      2.00000
      3     -40.2929      2.00000
      4     -40.2925      2.00000
      5     -40.2902      2.00000
      6     -40.2900      2.00000
      7      -6.7862      2.00000
      8      -6.5121      2.00000
      9      -6.4397      2.00000
     10      -6.4280      2.00000
     11      -6.4162      2.00000
     12      -6.4064      2.00000
     13      -6.1337      2.00000
     14      -6.1258      2.00000
     15      -5.9046      2.00000
     16      -5.8891      2.00000
     17      -5.3661      2.00000
     18      -4.3867      2.00000
     19      -1.7731      2.00000
     20      -1.0583      2.00000
     21       4.4019      0.00000
     22       5.6837      0.00000
     23      12.4627      0.00000
     24      12.6597      0.00000

 k-point   302 :       0.0800    0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3105      2.00000
      2     -40.2949      2.00000
      3     -40.2931      2.00000
      4     -40.2923      2.00000
      5     -40.2910      2.00000
      6     -40.2901      2.00000
      7      -6.7636      2.00000
      8      -6.5036      2.00000
      9      -6.4478      2.00000
     10      -6.4194      2.00000
     11      -6.4018      2.00000
     12      -6.3859      2.00000
     13      -6.1611      2.00000
     14      -6.1296      2.00000
     15      -5.9428      2.00000
     16      -5.8876      2.00000
     17      -5.2610      2.00000
     18      -4.2829      2.00000
     19      -1.6745      2.00000
     20      -0.9501      2.00000
     21       4.4974      0.00000
     22       5.7630      0.00000
     23      11.3767      0.00000
     24      12.0156      0.00000

 k-point   303 :       0.1200    0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3101      2.00000
      2     -40.2966      2.00000
      3     -40.2935      2.00000
      4     -40.2925      2.00000
      5     -40.2922      2.00000
      6     -40.2904      2.00000
      7      -6.7353      2.00000
      8      -6.5014      2.00000
      9      -6.4654      2.00000
     10      -6.4086      2.00000
     11      -6.3635      2.00000
     12      -6.3525      2.00000
     13      -6.2035      2.00000
     14      -6.1317      2.00000
     15      -5.9908      2.00000
     16      -5.8855      2.00000
     17      -5.0871      2.00000
     18      -4.1123      2.00000
     19      -1.5128      2.00000
     20      -0.7712      2.00000
     21       4.6540      0.00000
     22       5.8956      0.00000
     23      10.1901      0.00000
     24      10.7939      0.00000

 k-point   304 :       0.1600    0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3097      2.00000
      2     -40.2986      2.00000
      3     -40.2942      2.00000
      4     -40.2941      2.00000
      5     -40.2923      2.00000
      6     -40.2908      2.00000
      7      -6.7163      2.00000
      8      -6.5154      2.00000
      9      -6.4768      2.00000
     10      -6.3895      2.00000
     11      -6.3314      2.00000
     12      -6.2990      2.00000
     13      -6.2533      2.00000
     14      -6.1244      2.00000
     15      -6.0355      2.00000
     16      -5.8832      2.00000
     17      -4.8418      2.00000
     18      -3.8771      2.00000
     19      -1.2901      2.00000
     20      -0.5241      2.00000
     21       4.8685      0.00000
     22       6.0805      0.00000
     23       9.0181      0.00000
     24       9.5400      0.00000

 k-point   305 :       0.2000    0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3091      2.00000
      2     -40.3010      2.00000
      3     -40.2963      2.00000
      4     -40.2948      2.00000
      5     -40.2925      2.00000
      6     -40.2913      2.00000
      7      -6.7195      2.00000
      8      -6.5541      2.00000
      9      -6.4617      2.00000
     10      -6.3947      2.00000
     11      -6.3130      2.00000
     12      -6.2828      2.00000
     13      -6.2326      2.00000
     14      -6.0977      2.00000
     15      -6.0652      2.00000
     16      -5.8806      2.00000
     17      -4.5225      2.00000
     18      -3.5788      2.00000
     19      -1.0077      2.00000
     20      -0.2124      2.00000
     21       5.1351      0.00000
     22       6.3084      0.00000
     23       7.8918      0.00000
     24       8.2987      0.00000

 k-point   306 :       0.2400    0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3088      2.00000
      2     -40.3036      2.00000
      3     -40.2984      2.00000
      4     -40.2956      2.00000
      5     -40.2927      2.00000
      6     -40.2918      2.00000
      7      -6.7426      2.00000
      8      -6.6019      2.00000
      9      -6.4545      2.00000
     10      -6.4386      2.00000
     11      -6.3110      2.00000
     12      -6.2626      2.00000
     13      -6.1604      2.00000
     14      -6.0727      2.00000
     15      -6.0490      2.00000
     16      -5.8773      2.00000
     17      -4.1281      2.00000
     18      -3.2183      2.00000
     19      -0.6657      2.00000
     20       0.1597      2.00000
     21       5.4410      0.00000
     22       6.4419      0.00000
     23       6.9557      0.00000
     24       7.0910      0.00000

 k-point   307 :       0.2800    0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3088      2.00000
      2     -40.3061      2.00000
      3     -40.3001      2.00000
      4     -40.2963      2.00000
      5     -40.2930      2.00000
      6     -40.2923      2.00000
      7      -6.7759      2.00000
      8      -6.6519      2.00000
      9      -6.5188      2.00000
     10      -6.4442      2.00000
     11      -6.3199      2.00000
     12      -6.2163      2.00000
     13      -6.0884      2.00000
     14      -6.0587      2.00000
     15      -5.9865      2.00000
     16      -5.8718      2.00000
     17      -3.6591      2.00000
     18      -2.7963      2.00000
     19      -0.2634      2.00000
     20       0.5865      2.00000
     21       5.5268      0.00000
     22       5.8649      0.00000
     23       5.9526      0.00000
     24       7.0286      0.00000

 k-point   308 :       0.3200    0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.3084      2.00000
      3     -40.3010      2.00000
      4     -40.2970      2.00000
      5     -40.2934      2.00000
      6     -40.2929      2.00000
      7      -6.8119      2.00000
      8      -6.6999      2.00000
      9      -6.5858      2.00000
     10      -6.4596      2.00000
     11      -6.3333      2.00000
     12      -6.1639      2.00000
     13      -6.0304      2.00000
     14      -6.0244      2.00000
     15      -5.9211      2.00000
     16      -5.8601      2.00000
     17      -3.1173      2.00000
     18      -2.3137      2.00000
     19       0.1995      2.00000
     20       1.0598      2.00000
     21       4.5823      0.00000
     22       4.8182      0.00000
     23       6.1702      0.00000
     24       7.1046      0.00000

 k-point   309 :       0.3600    0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3112      2.00000
      2     -40.3101      2.00000
      3     -40.3011      2.00000
      4     -40.2976      2.00000
      5     -40.2939      2.00000
      6     -40.2934      2.00000
      7      -6.8458      2.00000
      8      -6.7423      2.00000
      9      -6.6444      2.00000
     10      -6.4802      2.00000
     11      -6.3472      2.00000
     12      -6.1171      2.00000
     13      -5.9960      2.00000
     14      -5.9776      2.00000
     15      -5.8647      2.00000
     16      -5.8337      2.00000
     17      -2.5046      2.00000
     18      -1.7720      2.00000
     19       0.7200      2.00000
     20       1.5575      2.00000
     21       3.5753     -0.00161
     22       3.8312      0.00000
     23       6.1284      0.00000
     24       6.5589      0.00000

 k-point   310 :       0.4000    0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3129      2.00000
      2     -40.3114      2.00000
      3     -40.3008      2.00000
      4     -40.2982      2.00000
      5     -40.2944      2.00000
      6     -40.2938      2.00000
      7      -6.8743      2.00000
      8      -6.7761      2.00000
      9      -6.6909      2.00000
     10      -6.4996      2.00000
     11      -6.3591      2.00000
     12      -6.0811      2.00000
     13      -5.9628      2.00000
     14      -5.9519      2.00000
     15      -5.8255      2.00000
     16      -5.7912      2.00000
     17      -1.8234      2.00000
     18      -1.1736      2.00000
     19       1.2754      2.00000
     20       1.9492      2.00000
     21       2.6128      0.81386
     22       3.0721      0.00000
     23       5.3044      0.00000
     24       6.0307      0.00000

 k-point   311 :       0.4400   -0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3141      2.00000
      2     -40.3124      2.00000
      3     -40.3003      2.00000
      4     -40.2985      2.00000
      5     -40.2948      2.00000
      6     -40.2941      2.00000
      7      -6.8949      2.00000
      8      -6.7995      2.00000
      9      -6.7230      2.00000
     10      -6.5141      2.00000
     11      -6.3678      2.00000
     12      -6.0571      2.00000
     13      -5.9406      2.00000
     14      -5.9372      2.00000
     15      -5.7965      2.00000
     16      -5.7546      2.00000
     17      -1.0768      2.00000
     18      -0.5223      2.00000
     19       1.4627      2.00000
     20       1.5565      2.00000
     21       2.2242      2.09851
     22       3.0853      0.00000
     23       4.4423      0.00000
     24       5.2832      0.00000

 k-point   312 :       0.4800    0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3147      2.00000
      2     -40.3129      2.00000
      3     -40.3000      2.00000
      4     -40.2987      2.00000
      5     -40.2950      2.00000
      6     -40.2942      2.00000
      7      -6.9056      2.00000
      8      -6.8114      2.00000
      9      -6.7395      2.00000
     10      -6.5218      2.00000
     11      -6.3723      2.00000
     12      -6.0452      2.00000
     13      -5.9365      2.00000
     14      -5.9234      2.00000
     15      -5.7803      2.00000
     16      -5.7349      2.00000
     17      -0.2686      2.00000
     18       0.1723      2.00000
     19       0.5936      2.00000
     20       0.9235      2.00000
     21       2.8032      0.40145
     22       3.3567      0.00000
     23       3.8824      0.00000
     24       4.5721      0.00000

 k-point   313 :      -0.4800   -0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3147      2.00000
      2     -40.3130      2.00000
      3     -40.3000      2.00000
      4     -40.2987      2.00000
      5     -40.2950      2.00000
      6     -40.2943      2.00000
      7      -6.9056      2.00000
      8      -6.8113      2.00000
      9      -6.7395      2.00000
     10      -6.5218      2.00000
     11      -6.3723      2.00000
     12      -6.0452      2.00000
     13      -5.9365      2.00000
     14      -5.9236      2.00000
     15      -5.7803      2.00000
     16      -5.7349      2.00000
     17      -0.2701      2.00000
     18       0.1780      2.00000
     19       0.6004      2.00000
     20       0.9156      2.00000
     21       2.7251      0.67561
     22       3.5228      0.00000
     23       3.7872      0.00000
     24       4.5819      0.00000

 k-point   314 :      -0.4400    0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3141      2.00000
      2     -40.3125      2.00000
      3     -40.3003      2.00000
      4     -40.2985      2.00000
      5     -40.2948      2.00000
      6     -40.2941      2.00000
      7      -6.8949      2.00000
      8      -6.7993      2.00000
      9      -6.7230      2.00000
     10      -6.5141      2.00000
     11      -6.3678      2.00000
     12      -6.0571      2.00000
     13      -5.9406      2.00000
     14      -5.9377      2.00000
     15      -5.7965      2.00000
     16      -5.7546      2.00000
     17      -1.0777      2.00000
     18      -0.5155      2.00000
     19       1.4895      2.00000
     20       1.5606      2.00000
     21       2.1111      2.09023
     22       3.1727      0.00000
     23       4.4434      0.00000
     24       5.2920      0.00000

 k-point   315 :      -0.4000   -0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3129      2.00000
      2     -40.3115      2.00000
      3     -40.3008      2.00000
      4     -40.2981      2.00000
      5     -40.2944      2.00000
      6     -40.2938      2.00000
      7      -6.8744      2.00000
      8      -6.7757      2.00000
      9      -6.6909      2.00000
     10      -6.4996      2.00000
     11      -6.3591      2.00000
     12      -6.0809      2.00000
     13      -5.9637      2.00000
     14      -5.9519      2.00000
     15      -5.8255      2.00000
     16      -5.7912      2.00000
     17      -1.8241      2.00000
     18      -1.1672      2.00000
     19       1.2848      2.00000
     20       1.9079      2.00000
     21       2.5730      0.97810
     22       3.1372      0.00000
     23       5.3353      0.00000
     24       6.0581      0.00000

 k-point   316 :      -0.3600   -0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3112      2.00000
      2     -40.3101      2.00000
      3     -40.3011      2.00000
      4     -40.2977      2.00000
      5     -40.2939      2.00000
      6     -40.2934      2.00000
      7      -6.8459      2.00000
      8      -6.7417      2.00000
      9      -6.6444      2.00000
     10      -6.4801      2.00000
     11      -6.3472      2.00000
     12      -6.1169      2.00000
     13      -5.9973      2.00000
     14      -5.9776      2.00000
     15      -5.8647      2.00000
     16      -5.8337      2.00000
     17      -2.5051      2.00000
     18      -1.7662      2.00000
     19       0.7159      2.00000
     20       1.5415      2.00000
     21       3.5621     -0.00385
     22       3.8568      0.00000
     23       6.2288      0.00000
     24       6.6214      0.00000

 k-point   317 :      -0.3200    0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.3084      2.00000
      3     -40.3010      2.00000
      4     -40.2970      2.00000
      5     -40.2934      2.00000
      6     -40.2929      2.00000
      7      -6.8120      2.00000
      8      -6.6992      2.00000
      9      -6.5858      2.00000
     10      -6.4593      2.00000
     11      -6.3333      2.00000
     12      -6.1638      2.00000
     13      -6.0321      2.00000
     14      -6.0244      2.00000
     15      -5.9211      2.00000
     16      -5.8601      2.00000
     17      -3.1177      2.00000
     18      -2.3085      2.00000
     19       0.1932      2.00000
     20       1.0534      2.00000
     21       4.5837      0.00000
     22       4.8216      0.00000
     23       6.3211      0.00000
     24       7.0132      0.00000

 k-point   318 :      -0.2800    0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3089      2.00000
      2     -40.3061      2.00000
      3     -40.3001      2.00000
      4     -40.2963      2.00000
      5     -40.2930      2.00000
      6     -40.2923      2.00000
      7      -6.7760      2.00000
      8      -6.6512      2.00000
      9      -6.5189      2.00000
     10      -6.4436      2.00000
     11      -6.3199      2.00000
     12      -6.2163      2.00000
     13      -6.0884      2.00000
     14      -6.0606      2.00000
     15      -5.9865      2.00000
     16      -5.8718      2.00000
     17      -3.6596      2.00000
     18      -2.7917      2.00000
     19      -0.2694      2.00000
     20       0.5840      2.00000
     21       5.5306      0.00000
     22       5.8564      0.00000
     23       6.0735      0.00000
     24       6.8835      0.00000

 k-point   319 :      -0.2400   -0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3088      2.00000
      2     -40.3036      2.00000
      3     -40.2984      2.00000
      4     -40.2956      2.00000
      5     -40.2927      2.00000
      6     -40.2918      2.00000
      7      -6.7427      2.00000
      8      -6.6011      2.00000
      9      -6.4543      2.00000
     10      -6.4382      2.00000
     11      -6.3111      2.00000
     12      -6.2625      2.00000
     13      -6.1604      2.00000
     14      -6.0748      2.00000
     15      -6.0490      2.00000
     16      -5.8773      2.00000
     17      -4.1285      2.00000
     18      -3.2146      2.00000
     19      -0.6706      2.00000
     20       0.1589      2.00000
     21       5.4700      0.00000
     22       6.5682      0.00000
     23       6.7577      0.00000
     24       7.1060      0.00000

 k-point   320 :      -0.2000   -0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3092      2.00000
      2     -40.3010      2.00000
      3     -40.2963      2.00000
      4     -40.2948      2.00000
      5     -40.2924      2.00000
      6     -40.2913      2.00000
      7      -6.7197      2.00000
      8      -6.5533      2.00000
      9      -6.4610      2.00000
     10      -6.3951      2.00000
     11      -6.3130      2.00000
     12      -6.2826      2.00000
     13      -6.2326      2.00000
     14      -6.0977      2.00000
     15      -6.0671      2.00000
     16      -5.8806      2.00000
     17      -4.5230      2.00000
     18      -3.5760      2.00000
     19      -1.0113      2.00000
     20      -0.2124      2.00000
     21       5.1540      0.00000
     22       6.3044      0.00000
     23       7.8518      0.00000
     24       8.2981      0.00000

 k-point   321 :      -0.1600    0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3097      2.00000
      2     -40.2986      2.00000
      3     -40.2943      2.00000
      4     -40.2941      2.00000
      5     -40.2923      2.00000
      6     -40.2908      2.00000
      7      -6.7164      2.00000
      8      -6.5145      2.00000
      9      -6.4767      2.00000
     10      -6.3897      2.00000
     11      -6.3314      2.00000
     12      -6.2990      2.00000
     13      -6.2533      2.00000
     14      -6.1244      2.00000
     15      -6.0367      2.00000
     16      -5.8832      2.00000
     17      -4.8423      2.00000
     18      -3.8752      2.00000
     19      -1.2923      2.00000
     20      -0.5239      2.00000
     21       4.8782      0.00000
     22       6.0742      0.00000
     23       8.9956      0.00000
     24       9.5321      0.00000

 k-point   322 :      -0.1200   -0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3101      2.00000
      2     -40.2966      2.00000
      3     -40.2935      2.00000
      4     -40.2925      2.00000
      5     -40.2922      2.00000
      6     -40.2904      2.00000
      7      -6.7353      2.00000
      8      -6.5008      2.00000
      9      -6.4656      2.00000
     10      -6.4085      2.00000
     11      -6.3635      2.00000
     12      -6.3525      2.00000
     13      -6.2037      2.00000
     14      -6.1317      2.00000
     15      -5.9913      2.00000
     16      -5.8855      2.00000
     17      -5.0874      2.00000
     18      -4.1112      2.00000
     19      -1.5139      2.00000
     20      -0.7710      2.00000
     21       4.6581      0.00000
     22       5.8925      0.00000
     23      10.1722      0.00000
     24      10.7777      0.00000

 k-point   323 :      -0.0800    0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3105      2.00000
      2     -40.2949      2.00000
      3     -40.2931      2.00000
      4     -40.2923      2.00000
      5     -40.2910      2.00000
      6     -40.2901      2.00000
      7      -6.7636      2.00000
      8      -6.5034      2.00000
      9      -6.4479      2.00000
     10      -6.4193      2.00000
     11      -6.4018      2.00000
     12      -6.3859      2.00000
     13      -6.1612      2.00000
     14      -6.1296      2.00000
     15      -5.9428      2.00000
     16      -5.8876      2.00000
     17      -5.2612      2.00000
     18      -4.2825      2.00000
     19      -1.6749      2.00000
     20      -0.9500      2.00000
     21       4.4985      0.00000
     22       5.7620      0.00000
     23      11.3564      0.00000
     24      12.2593      0.00000

 k-point   324 :      -0.0400    0.0000    0.4286
  band No.  band energies     occupation 
      1     -40.3108      2.00000
      2     -40.2938      2.00000
      3     -40.2929      2.00000
      4     -40.2925      2.00000
      5     -40.2902      2.00000
      6     -40.2900      2.00000
      7      -6.7862      2.00000
      8      -6.5121      2.00000
      9      -6.4397      2.00000
     10      -6.4280      2.00000
     11      -6.4162      2.00000
     12      -6.4064      2.00000
     13      -6.1337      2.00000
     14      -6.1258      2.00000
     15      -5.9046      2.00000
     16      -5.8891      2.00000
     17      -5.3661      2.00000
     18      -4.3867      2.00000
     19      -1.7731      2.00000
     20      -1.0583      2.00000
     21       4.4021      0.00000
     22       5.6835      0.00000
     23      12.4049      0.00000
     24      12.8112      0.00000

 k-point   325 :       0.0400    0.0400    0.4286
  band No.  band energies     occupation 
      1     -40.3106      2.00000
      2     -40.2945      2.00000
      3     -40.2930      2.00000
      4     -40.2923      2.00000
      5     -40.2907      2.00000
      6     -40.2901      2.00000
      7      -6.7706      2.00000
      8      -6.5055      2.00000
      9      -6.4438      2.00000
     10      -6.4223      2.00000
     11      -6.4090      2.00000
     12      -6.3922      2.00000
     13      -6.1507      2.00000
     14      -6.1303      2.00000
     15      -5.9302      2.00000
     16      -5.8887      2.00000
     17      -5.2959      2.00000
     18      -4.3172      2.00000
     19      -1.7074      2.00000
     20      -0.9860      2.00000
     21       4.4661      0.00000
     22       5.7362      0.00000
     23      11.8791      0.00000
     24      12.0190      0.00000

 k-point   326 :       0.0800    0.0400    0.4286
  band No.  band energies     occupation 
      1     -40.3103      2.00000
      2     -40.2959      2.00000
      3     -40.2935      2.00000
      4     -40.2923      2.00000
      5     -40.2918      2.00000
      6     -40.2903      2.00000
      7      -6.7442      2.00000
      8      -6.5020      2.00000
      9      -6.4511      2.00000
     10      -6.4246      2.00000
     11      -6.3745      2.00000
     12      -6.3661      2.00000
     13      -6.1822      2.00000
     14      -6.1384      2.00000
     15      -5.9700      2.00000
     16      -5.8880      2.00000
     17      -5.1565      2.00000
     18      -4.1800      2.00000
     19      -1.5773      2.00000
     20      -0.8425      2.00000
     21       4.5924      0.00000
     22       5.8421      0.00000
     23      10.7846      0.00000
     24      11.3322      0.00000

 k-point   327 :       0.1200    0.0400    0.4286
  band No.  band energies     occupation 
      1     -40.3099      2.00000
      2     -40.2977      2.00000
      3     -40.2942      2.00000
      4     -40.2932      2.00000
      5     -40.2923      2.00000
      6     -40.2907      2.00000
      7      -6.7183      2.00000
      8      -6.5090      2.00000
      9      -6.4672      2.00000
     10      -6.4086      2.00000
     11      -6.3393      2.00000
     12      -6.3242      2.00000
     13      -6.2247      2.00000
     14      -6.1438      2.00000
     15      -6.0102      2.00000
     16      -5.8869      2.00000
     17      -4.9467      2.00000
     18      -3.9772      2.00000
     19      -1.3853      2.00000
     20      -0.6294      2.00000
     21       4.7783      0.00000
     22       6.0011      0.00000
     23       9.6096      0.00000
     24      10.1647      0.00000

 k-point   328 :       0.1600    0.0400    0.4286
  band No.  band energies     occupation 
      1     -40.3094      2.00000
      2     -40.2999      2.00000
      3     -40.2957      2.00000
      4     -40.2943      2.00000
      5     -40.2924      2.00000
      6     -40.2912      2.00000
      7      -6.7085      2.00000
      8      -6.5337      2.00000
      9      -6.4680      2.00000
     10      -6.3934      2.00000
     11      -6.3188      2.00000
     12      -6.2933      2.00000
     13      -6.2393      2.00000
     14      -6.1367      2.00000
     15      -6.0375      2.00000
     16      -5.8851      2.00000
     17      -4.6637      2.00000
     18      -3.7105      2.00000
     19      -1.1329      2.00000
     20      -0.3500      2.00000
     21       5.0195      0.00000
     22       6.2097      0.00000
     23       8.4603      0.00000
     24       8.9269      0.00000

 k-point   329 :       0.2000    0.0400    0.4286
  band No.  band energies     occupation 
      1     -40.3089      2.00000
      2     -40.3023      2.00000
      3     -40.2976      2.00000
      4     -40.2951      2.00000
      5     -40.2926      2.00000
      6     -40.2917      2.00000
      7      -6.7217      2.00000
      8      -6.5754      2.00000
      9      -6.4508      2.00000
     10      -6.4179      2.00000
     11      -6.3172      2.00000
     12      -6.2896      2.00000
     13      -6.1802      2.00000
     14      -6.1127      2.00000
     15      -6.0399      2.00000
     16      -5.8826      2.00000
     17      -4.3059      2.00000
     18      -3.3811      2.00000
     19      -0.8209      2.00000
     20      -0.0079      2.00000
     21       5.3083      0.00000
     22       6.4393      0.00000
     23       7.3820      0.00000
     24       7.7048      0.00000

 k-point   330 :       0.2400    0.0400    0.4286
  band No.  band energies     occupation 
      1     -40.3088      2.00000
      2     -40.3049      2.00000
      3     -40.2995      2.00000
      4     -40.2960      2.00000
      5     -40.2929      2.00000
      6     -40.2922      2.00000
      7      -6.7504      2.00000
      8      -6.6237      2.00000
      9      -6.4804      2.00000
     10      -6.4425      2.00000
     11      -6.3178      2.00000
     12      -6.2591      2.00000
     13      -6.1110      2.00000
     14      -6.0823      2.00000
     15      -6.0086      2.00000
     16      -5.8782      2.00000
     17      -3.8735      2.00000
     18      -2.9898      2.00000
     19      -0.4487      2.00000
     20       0.3919      2.00000
     21       5.6110      0.00000
     22       6.1589      0.00000
     23       6.5164      0.00000
     24       6.9282      0.00000

 k-point   331 :       0.2800    0.0400    0.4286
  band No.  band energies     occupation 
      1     -40.3091      2.00000
      2     -40.3073      2.00000
      3     -40.3007      2.00000
      4     -40.2968      2.00000
      5     -40.2933      2.00000
      6     -40.2927      2.00000
      7      -6.7851      2.00000
      8      -6.6727      2.00000
      9      -6.5484      2.00000
     10      -6.4518      2.00000
     11      -6.3283      2.00000
     12      -6.2074      2.00000
     13      -6.0521      2.00000
     14      -6.0446      2.00000
     15      -5.9545      2.00000
     16      -5.8694      2.00000
     17      -3.3677      2.00000
     18      -2.5374      2.00000
     19      -0.0157      2.00000
     20       0.8430      2.00000
     21       5.0983      0.00000
     22       5.3767      0.00000
     23       6.0421      0.00000
     24       7.1632      0.00000

 k-point   332 :       0.3200    0.0400    0.4286
  band No.  band energies     occupation 
      1     -40.3103      2.00000
      2     -40.3093      2.00000
      3     -40.3012      2.00000
      4     -40.2975      2.00000
      5     -40.2937      2.00000
      6     -40.2933      2.00000
      7      -6.8201      2.00000
      8      -6.7182      2.00000
      9      -6.6106      2.00000
     10      -6.4701      2.00000
     11      -6.3427      2.00000
     12      -6.1527      2.00000
     13      -6.0179      2.00000
     14      -5.9927      2.00000
     15      -5.8979      2.00000
     16      -5.8500      2.00000
     17      -2.7902      2.00000
     18      -2.0251      2.00000
     19       0.4771      2.00000
     20       1.3330      2.00000
     21       4.0991      0.00000
     22       4.3284      0.00000
     23       6.2859      0.00000
     24       6.8362      0.00000

 k-point   333 :       0.3600    0.0400    0.4286
  band No.  band energies     occupation 
      1     -40.3120      2.00000
      2     -40.3108      2.00000
      3     -40.3010      2.00000
      4     -40.2981      2.00000
      5     -40.2942      2.00000
      6     -40.2937      2.00000
      7      -6.8512      2.00000
      8      -6.7567      2.00000
      9      -6.6622      2.00000
     10      -6.4897      2.00000
     11      -6.3568      2.00000
     12      -6.1062      2.00000
     13      -5.9849      2.00000
     14      -5.9594      2.00000
     15      -5.8522      2.00000
     16      -5.8147      2.00000
     17      -2.1433      2.00000
     18      -1.4549      2.00000
     19       1.0218      2.00000
     20       1.8149      2.00000
     21       3.1011     -0.11443
     22       3.4254      0.00000
     23       5.7628      0.00000
     24       6.3703      0.00000

 k-point   334 :       0.4000    0.0400    0.4286
  band No.  band energies     occupation 
      1     -40.3135      2.00000
      2     -40.3119      2.00000
      3     -40.3006      2.00000
      4     -40.2986      2.00000
      5     -40.2946      2.00000
      6     -40.2941      2.00000
      7      -6.8756      2.00000
      8      -6.7859      2.00000
      9      -6.7006      2.00000
     10      -6.5059      2.00000
     11      -6.3682      2.00000
     12      -6.0724      2.00000
     13      -5.9578      2.00000
     14      -5.9415      2.00000
     15      -5.8178      2.00000
     16      -5.7764      2.00000
     17      -1.4296      2.00000
     18      -0.8296      2.00000
     19       1.5355      2.00000
     20       1.8935      2.00000
     21       2.2854      1.91078
     22       2.9769      0.00000
     23       4.8855      0.00000
     24       5.6842      0.00000

 k-point   335 :       0.4400    0.0400    0.4286
  band No.  band energies     occupation 
      1     -40.3144      2.00000
      2     -40.3127      2.00000
      3     -40.3001      2.00000
      4     -40.2989      2.00000
      5     -40.2949      2.00000
      6     -40.2944      2.00000
      7      -6.8912      2.00000
      8      -6.8039      2.00000
      9      -6.7243      2.00000
     10      -6.5165      2.00000
     11      -6.3755      2.00000
     12      -6.0525      2.00000
     13      -5.9436      2.00000
     14      -5.9294      2.00000
     15      -5.7948      2.00000
     16      -5.7497      2.00000
     17      -0.6522      2.00000
     18      -0.1547      2.00000
     19       1.0630      2.00000
     20       1.2964      2.00000
     21       2.4929      1.60273
     22       3.3207      0.00000
     23       4.0839      0.00000
     24       4.9329      0.00000

 k-point   336 :       0.4800    0.0400    0.4286
  band No.  band energies     occupation 
      1     -40.3147      2.00000
      2     -40.3129      2.00000
      3     -40.2999      2.00000
      4     -40.2990      2.00000
      5     -40.2950      2.00000
      6     -40.2945      2.00000
      7      -6.8966      2.00000
      8      -6.8099      2.00000
      9      -6.7323      2.00000
     10      -6.5201      2.00000
     11      -6.3780      2.00000
     12      -6.0459      2.00000
     13      -5.9403      2.00000
     14      -5.9240      2.00000
     15      -5.7867      2.00000
     16      -5.7403      2.00000
     17       0.1614      2.00000
     18       0.2041      2.00000
     19       0.5010      2.00000
     20       0.6426      2.00000
     21       3.0746     -0.27751
     22       3.2263      0.00000
     23       3.9597      0.00000
     24       4.4043      0.00000

 k-point   337 :      -0.4800    0.0400    0.4286
  band No.  band energies     occupation 
      1     -40.3144      2.00000
      2     -40.3127      2.00000
      3     -40.3001      2.00000
      4     -40.2989      2.00000
      5     -40.2949      2.00000
      6     -40.2944      2.00000
      7      -6.8912      2.00000
      8      -6.8037      2.00000
      9      -6.7243      2.00000
     10      -6.5165      2.00000
     11      -6.3755      2.00000
     12      -6.0524      2.00000
     13      -5.9437      2.00000
     14      -5.9297      2.00000
     15      -5.7948      2.00000
     16      -5.7497      2.00000
     17      -0.6536      2.00000
     18      -0.1478      2.00000
     19       1.0724      2.00000
     20       1.2929      2.00000
     21       2.4094      1.77184
     22       3.4337      0.00000
     23       4.0498      0.00000
     24       4.9381      0.00000

 k-point   338 :      -0.4400    0.0400    0.4286
  band No.  band energies     occupation 
      1     -40.3135      2.00000
      2     -40.3119      2.00000
      3     -40.3006      2.00000
      4     -40.2986      2.00000
      5     -40.2946      2.00000
      6     -40.2941      2.00000
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      8      -6.7855      2.00000
      9      -6.7007      2.00000
     10      -6.5059      2.00000
     11      -6.3682      2.00000
     12      -6.0723      2.00000
     13      -5.9583      2.00000
     14      -5.9418      2.00000
     15      -5.8178      2.00000
     16      -5.7764      2.00000
     17      -1.4304      2.00000
     18      -0.8231      2.00000
     19       1.5731      2.00000
     20       1.8673      2.00000
     21       2.1853      2.05713
     22       3.0620      0.00000
     23       4.9063      0.00000
     24       5.6943      0.00000

 k-point   339 :      -0.4000    0.0400    0.4286
  band No.  band energies     occupation 
      1     -40.3120      2.00000
      2     -40.3107      2.00000
      3     -40.3010      2.00000
      4     -40.2981      2.00000
      5     -40.2942      2.00000
      6     -40.2937      2.00000
      7      -6.8512      2.00000
      8      -6.7563      2.00000
      9      -6.6623      2.00000
     10      -6.4896      2.00000
     11      -6.3568      2.00000
     12      -6.1060      2.00000
     13      -5.9858      2.00000
     14      -5.9595      2.00000
     15      -5.8522      2.00000
     16      -5.8148      2.00000
     17      -2.1439      2.00000
     18      -1.4490      2.00000
     19       1.0223      2.00000
     20       1.7878      2.00000
     21       3.0802     -0.10184
     22       3.4656      0.00000
     23       5.8156      0.00000
     24       6.4210      0.00000

 k-point   340 :      -0.3600    0.0400    0.4286
  band No.  band energies     occupation 
      1     -40.3103      2.00000
      2     -40.3093      2.00000
      3     -40.3012      2.00000
      4     -40.2975      2.00000
      5     -40.2937      2.00000
      6     -40.2933      2.00000
      7      -6.8201      2.00000
      8      -6.7175      2.00000
      9      -6.6106      2.00000
     10      -6.4700      2.00000
     11      -6.3427      2.00000
     12      -6.1526      2.00000
     13      -6.0192      2.00000
     14      -5.9927      2.00000
     15      -5.8979      2.00000
     16      -5.8500      2.00000
     17      -2.7907      2.00000
     18      -2.0198      2.00000
     19       0.4719      2.00000
     20       1.3230      2.00000
     21       4.0944      0.00000
     22       4.3407      0.00000
     23       6.4621      0.00000
     24       6.8136      0.00000

 k-point   341 :      -0.3200    0.0400    0.4286
  band No.  band energies     occupation 
      1     -40.3091      2.00000
      2     -40.3073      2.00000
      3     -40.3008      2.00000
      4     -40.2968      2.00000
      5     -40.2932      2.00000
      6     -40.2927      2.00000
      7      -6.7852      2.00000
      8      -6.6720      2.00000
      9      -6.5484      2.00000
     10      -6.4514      2.00000
     11      -6.3284      2.00000
     12      -6.2073      2.00000
     13      -6.0537      2.00000
     14      -6.0446      2.00000
     15      -5.9547      2.00000
     16      -5.8693      2.00000
     17      -3.3681      2.00000
     18      -2.5328      2.00000
     19      -0.0216      2.00000
     20       0.8389      2.00000
     21       5.1071      0.00000
     22       5.3651      0.00000
     23       6.1708      0.00000
     24       7.0203      0.00000

 k-point   342 :      -0.2800    0.0400    0.4286
  band No.  band energies     occupation 
      1     -40.3088      2.00000
      2     -40.3049      2.00000
      3     -40.2995      2.00000
      4     -40.2960      2.00000
      5     -40.2929      2.00000
      6     -40.2923      2.00000
      7      -6.7505      2.00000
      8      -6.6229      2.00000
      9      -6.4805      2.00000
     10      -6.4418      2.00000
     11      -6.3179      2.00000
     12      -6.2591      2.00000
     13      -6.1111      2.00000
     14      -6.0835      2.00000
     15      -6.0091      2.00000
     16      -5.8782      2.00000
     17      -3.8740      2.00000
     18      -2.9859      2.00000
     19      -0.4538      2.00000
     20       0.3904      2.00000
     21       5.6328      0.00000
     22       6.2692      0.00000
     23       6.5042      0.00000
     24       6.7762      0.00000

 k-point   343 :      -0.2400    0.0400    0.4286
  band No.  band energies     occupation 
      1     -40.3089      2.00000
      2     -40.3023      2.00000
      3     -40.2976      2.00000
      4     -40.2951      2.00000
      5     -40.2926      2.00000
      6     -40.2917      2.00000
      7      -6.7219      2.00000
      8      -6.5746      2.00000
      9      -6.4501      2.00000
     10      -6.4182      2.00000
     11      -6.3173      2.00000
     12      -6.2894      2.00000
     13      -6.1802      2.00000
     14      -6.1134      2.00000
     15      -6.0410      2.00000
     16      -5.8825      2.00000
     17      -4.3064      2.00000
     18      -3.3781      2.00000
     19      -0.8247      2.00000
     20      -0.0083      2.00000
     21       5.3308      0.00000
     22       6.4553      0.00000
     23       7.3148      0.00000
     24       7.7037      0.00000

 k-point   344 :      -0.2000    0.0400    0.4286
  band No.  band energies     occupation 
      1     -40.3094      2.00000
      2     -40.2999      2.00000
      3     -40.2957      2.00000
      4     -40.2943      2.00000
      5     -40.2924      2.00000
      6     -40.2912      2.00000
      7      -6.7087      2.00000
      8      -6.5329      2.00000
      9      -6.4678      2.00000
     10      -6.3936      2.00000
     11      -6.3191      2.00000
     12      -6.2930      2.00000
     13      -6.2393      2.00000
     14      -6.1369      2.00000
     15      -6.0387      2.00000
     16      -5.8851      2.00000
     17      -4.6641      2.00000
     18      -3.7084      2.00000
     19      -1.1354      2.00000
     20      -0.3499      2.00000
     21       5.0318      0.00000
     22       6.2039      0.00000
     23       8.4352      0.00000
     24       8.9141      0.00000

 k-point   345 :      -0.1600    0.0400    0.4286
  band No.  band energies     occupation 
      1     -40.3098      2.00000
      2     -40.2977      2.00000
      3     -40.2942      2.00000
      4     -40.2932      2.00000
      5     -40.2923      2.00000
      6     -40.2907      2.00000
      7      -6.7183      2.00000
      8      -6.5084      2.00000
      9      -6.4674      2.00000
     10      -6.4085      2.00000
     11      -6.3395      2.00000
     12      -6.3241      2.00000
     13      -6.2248      2.00000
     14      -6.1438      2.00000
     15      -6.0108      2.00000
     16      -5.8868      2.00000
     17      -4.9470      2.00000
     18      -3.9760      2.00000
     19      -1.3866      2.00000
     20      -0.6293      2.00000
     21       4.7835      0.00000
     22       5.9973      0.00000
     23       9.5946      0.00000
     24      10.1346      0.00000

 k-point   346 :      -0.1200    0.0400    0.4286
  band No.  band energies     occupation 
      1     -40.3103      2.00000
      2     -40.2959      2.00000
      3     -40.2935      2.00000
      4     -40.2923      2.00000
      5     -40.2918      2.00000
      6     -40.2903      2.00000
      7      -6.7442      2.00000
      8      -6.5018      2.00000
      9      -6.4512      2.00000
     10      -6.4245      2.00000
     11      -6.3746      2.00000
     12      -6.3661      2.00000
     13      -6.1823      2.00000
     14      -6.1384      2.00000
     15      -5.9702      2.00000
     16      -5.8880      2.00000
     17      -5.1567      2.00000
     18      -4.1796      2.00000
     19      -1.5778      2.00000
     20      -0.8424      2.00000
     21       4.5939      0.00000
     22       5.8409      0.00000
     23      10.7743      0.00000
     24      11.2597      0.00000

 k-point   347 :       0.0800    0.0800    0.4286
  band No.  band energies     occupation 
      1     -40.3099      2.00000
      2     -40.2973      2.00000
      3     -40.2943      2.00000
      4     -40.2928      2.00000
      5     -40.2923      2.00000
      6     -40.2907      2.00000
      7      -6.7181      2.00000
      8      -6.5105      2.00000
      9      -6.4417      2.00000
     10      -6.4376      2.00000
     11      -6.3396      2.00000
     12      -6.3334      2.00000
     13      -6.2057      2.00000
     14      -6.1612      2.00000
     15      -5.9969      2.00000
     16      -5.8902      2.00000
     17      -4.9813      2.00000
     18      -4.0102      2.00000
     19      -1.4176      2.00000
     20      -0.6646      2.00000
     21       4.7499      0.00000
     22       5.9731      0.00000
     23      10.1295      0.00000
     24      10.2837      0.00000

 k-point   348 :       0.1200    0.0800    0.4286
  band No.  band energies     occupation 
      1     -40.3095      2.00000
      2     -40.2992      2.00000
      3     -40.2957      2.00000
      4     -40.2937      2.00000
      5     -40.2923      2.00000
      6     -40.2912      2.00000
      7      -6.6969      2.00000
      8      -6.5276      2.00000
      9      -6.4536      2.00000
     10      -6.4211      2.00000
     11      -6.3162      2.00000
     12      -6.3037      2.00000
     13      -6.2185      2.00000
     14      -6.1788      2.00000
     15      -6.0137      2.00000
     16      -5.8921      2.00000
     17      -4.7329      2.00000
     18      -3.7760      2.00000
     19      -1.1962      2.00000
     20      -0.4191      2.00000
     21       4.9634      0.00000
     22       6.1574      0.00000
     23       9.0488      0.00000
     24       9.5130      0.00000

 k-point   349 :       0.1600    0.0800    0.4286
  band No.  band energies     occupation 
      1     -40.3090      2.00000
      2     -40.3014      2.00000
      3     -40.2974      2.00000
      4     -40.2946      2.00000
      5     -40.2925      2.00000
      6     -40.2917      2.00000
      7      -6.6950      2.00000
      8      -6.5539      2.00000
      9      -6.4543      2.00000
     10      -6.4110      2.00000
     11      -6.3293      2.00000
     12      -6.2998      2.00000
     13      -6.1945      2.00000
     14      -6.1547      2.00000
     15      -6.0174      2.00000
     16      -5.8921      2.00000
     17      -4.4101      2.00000
     18      -3.4783      2.00000
     19      -0.9144      2.00000
     20      -0.1091      2.00000
     21       5.2289      0.00000
     22       6.3847      0.00000
     23       7.9423      0.00000
     24       8.3430      0.00000

 k-point   350 :       0.2000    0.0800    0.4286
  band No.  band energies     occupation 
      1     -40.3088      2.00000
      2     -40.3038      2.00000
      3     -40.2992      2.00000
      4     -40.2956      2.00000
      5     -40.2929      2.00000
      6     -40.2922      2.00000
      7      -6.7139      2.00000
      8      -6.5931      2.00000
      9      -6.4595      2.00000
     10      -6.4261      2.00000
     11      -6.3393      2.00000
     12      -6.2955      2.00000
     13      -6.1532      2.00000
     14      -6.0989      2.00000
     15      -6.0050      2.00000
     16      -5.8892      2.00000
     17      -4.0129      2.00000
     18      -3.1181      2.00000
     19      -0.5722      2.00000
     20       0.2610      2.00000
     21       5.5339      0.00000
     22       6.5150      0.00000
     23       7.0163      0.00000
     24       7.1588      0.00000

 k-point   351 :       0.2400    0.0800    0.4286
  band No.  band energies     occupation 
      1     -40.3088      2.00000
      2     -40.3061      2.00000
      3     -40.3006      2.00000
      4     -40.2965      2.00000
      5     -40.2934      2.00000
      6     -40.2927      2.00000
      7      -6.7440      2.00000
      8      -6.6390      2.00000
      9      -6.5098      2.00000
     10      -6.4410      2.00000
     11      -6.3303      2.00000
     12      -6.2719      2.00000
     13      -6.1006      2.00000
     14      -6.0467      2.00000
     15      -5.9745      2.00000
     16      -5.8813      2.00000
     17      -3.5423      2.00000
     18      -2.6962      2.00000
     19      -0.1691      2.00000
     20       0.6861      2.00000
     21       5.6090      0.00000
     22       5.9490      0.00000
     23       6.0230      0.00000
     24       7.1012      0.00000

 k-point   352 :       0.2800    0.0800    0.4286
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.3083      2.00000
      3     -40.3013      2.00000
      4     -40.2974      2.00000
      5     -40.2939      2.00000
      6     -40.2931      2.00000
      7      -6.7773      2.00000
      8      -6.6856      2.00000
      9      -6.5687      2.00000
     10      -6.4592      2.00000
     11      -6.3408      2.00000
     12      -6.2169      2.00000
     13      -6.0480      2.00000
     14      -6.0073      2.00000
     15      -5.9338      2.00000
     16      -5.8634      2.00000
     17      -3.0001      2.00000
     18      -2.2139      2.00000
     19       0.2950      2.00000
     20       1.1581      2.00000
     21       4.6594      0.00000
     22       4.9023      0.00000
     23       6.2563      0.00000
     24       7.1698      0.00000

 k-point   353 :       0.3200    0.0800    0.4286
  band No.  band energies     occupation 
      1     -40.3110      2.00000
      2     -40.3099      2.00000
      3     -40.3013      2.00000
      4     -40.2981      2.00000
      5     -40.2944      2.00000
      6     -40.2936      2.00000
      7      -6.8088      2.00000
      8      -6.7280      2.00000
      9      -6.6207      2.00000
     10      -6.4781      2.00000
     11      -6.3573      2.00000
     12      -6.1579      2.00000
     13      -6.0075      2.00000
     14      -5.9748      2.00000
     15      -5.8966      2.00000
     16      -5.8330      2.00000
     17      -2.3882      2.00000
     18      -1.6727      2.00000
     19       0.8170      2.00000
     20       1.6556      2.00009
     21       3.6583      0.00000
     22       3.9161      0.00000
     23       6.2054      0.00000
     24       6.6482      0.00000

 k-point   354 :       0.3600    0.0800    0.4286
  band No.  band energies     occupation 
      1     -40.3126      2.00000
      2     -40.3112      2.00000
      3     -40.3009      2.00000
      4     -40.2988      2.00000
      5     -40.2948      2.00000
      6     -40.2941      2.00000
      7      -6.8354      2.00000
      8      -6.7627      2.00000
      9      -6.6617      2.00000
     10      -6.4940      2.00000
     11      -6.3732      2.00000
     12      -6.1076      2.00000
     13      -5.9815      2.00000
     14      -5.9509      2.00000
     15      -5.8613      2.00000
     16      -5.8005      2.00000
     17      -1.7089      2.00000
     18      -1.0751      2.00000
     19       1.3740      2.00000
     20       2.0520      2.00008
     21       2.6993      0.46973
     22       3.1547      0.00000
     23       5.3818      0.00000
     24       6.1183      0.00000

 k-point   355 :       0.4000    0.0800    0.4286
  band No.  band energies     occupation 
      1     -40.3137      2.00000
      2     -40.3121      2.00000
      3     -40.3005      2.00000
      4     -40.2993      2.00000
      5     -40.2950      2.00000
      6     -40.2945      2.00000
      7      -6.8547      2.00000
      8      -6.7871      2.00000
      9      -6.6899      2.00000
     10      -6.5053      2.00000
     11      -6.3854      2.00000
     12      -6.0724      2.00000
     13      -5.9643      2.00000
     14      -5.9381      2.00000
     15      -5.8302      2.00000
     16      -5.7765      2.00000
     17      -0.9648      2.00000
     18      -0.4248      2.00000
     19       1.5554      2.00000
     20       1.6671      2.00000
     21       2.3129      2.13159
     22       3.1714      0.00000
     23       4.5237      0.00000
     24       5.3660      0.00000

 k-point   356 :       0.4400    0.0800    0.4286
  band No.  band energies     occupation 
      1     -40.3143      2.00000
      2     -40.3126      2.00000
      3     -40.3000      2.00000
      4     -40.2997      2.00000
      5     -40.2950      2.00000
      6     -40.2948      2.00000
      7      -6.8648      2.00000
      8      -6.7995      2.00000
      9      -6.7042      2.00000
     10      -6.5112      2.00000
     11      -6.3918      2.00000
     12      -6.0550      2.00000
     13      -5.9539      2.00000
     14      -5.9335      2.00000
     15      -5.8117      2.00000
     16      -5.7645      2.00000
     17      -0.1600      2.00000
     18       0.2690      2.00000
     19       0.6981      2.00000
     20       1.0197      2.00000
     21       2.8975      0.01838
     22       3.4558      0.00000
     23       3.9569      0.00000
     24       4.6538      0.00000

 k-point   357 :       0.4800    0.0800    0.4286
  band No.  band energies     occupation 
      1     -40.3143      2.00000
      2     -40.3126      2.00000
      3     -40.3000      2.00000
      4     -40.2997      2.00000
      5     -40.2950      2.00000
      6     -40.2948      2.00000
      7      -6.8648      2.00000
      8      -6.7995      2.00000
      9      -6.7042      2.00000
     10      -6.5112      2.00000
     11      -6.3918      2.00000
     12      -6.0550      2.00000
     13      -5.9540      2.00000
     14      -5.9337      2.00000
     15      -5.8117      2.00000
     16      -5.7645      2.00000
     17      -0.1625      2.00000
     18       0.2761      2.00000
     19       0.7043      2.00000
     20       1.0123      2.00000
     21       2.8172      0.27672
     22       3.6218      0.00000
     23       3.8725      0.00000
     24       4.6542      0.00000

 k-point   358 :      -0.4800    0.0800    0.4286
  band No.  band energies     occupation 
      1     -40.3137      2.00000
      2     -40.3121      2.00000
      3     -40.3005      2.00000
      4     -40.2993      2.00000
      5     -40.2950      2.00000
      6     -40.2945      2.00000
      7      -6.8547      2.00000
      8      -6.7869      2.00000
      9      -6.6899      2.00000
     10      -6.5054      2.00000
     11      -6.3854      2.00000
     12      -6.0723      2.00000
     13      -5.9644      2.00000
     14      -5.9384      2.00000
     15      -5.8302      2.00000
     16      -5.7765      2.00000
     17      -0.9661      2.00000
     18      -0.4182      2.00000
     19       1.5927      2.00000
     20       1.6652      2.00000
     21       2.1931      2.15423
     22       3.2605      0.00000
     23       4.5371      0.00000
     24       5.3606      0.00000

 k-point   359 :      -0.4400    0.0800    0.4286
  band No.  band energies     occupation 
      1     -40.3126      2.00000
      2     -40.3112      2.00000
      3     -40.3009      2.00000
      4     -40.2988      2.00000
      5     -40.2948      2.00000
      6     -40.2940      2.00000
      7      -6.8355      2.00000
      8      -6.7624      2.00000
      9      -6.6618      2.00000
     10      -6.4940      2.00000
     11      -6.3733      2.00000
     12      -6.1074      2.00000
     13      -5.9820      2.00000
     14      -5.9512      2.00000
     15      -5.8612      2.00000
     16      -5.8005      2.00000
     17      -1.7097      2.00000
     18      -1.0693      2.00000
     19       1.3873      2.00000
     20       2.0056      2.00000
     21       2.6613      0.62679
     22       3.2193      0.00000
     23       5.4277      0.00000
     24       6.1226      0.00000

 k-point   360 :      -0.4000    0.0800    0.4286
  band No.  band energies     occupation 
      1     -40.3110      2.00000
      2     -40.3099      2.00000
      3     -40.3013      2.00000
      4     -40.2982      2.00000
      5     -40.2944      2.00000
      6     -40.2936      2.00000
      7      -6.8089      2.00000
      8      -6.7275      2.00000
      9      -6.6208      2.00000
     10      -6.4780      2.00000
     11      -6.3574      2.00000
     12      -6.1578      2.00000
     13      -6.0084      2.00000
     14      -5.9748      2.00000
     15      -5.8966      2.00000
     16      -5.8330      2.00000
     17      -2.3887      2.00000
     18      -1.6677      2.00000
     19       0.8147      2.00000
     20       1.6391      2.00000
     21       3.6493      0.00000
     22       3.9359      0.00000
     23       6.3187      0.00000
     24       6.6981      0.00000

 k-point   361 :      -0.3600    0.0800    0.4286
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.3083      2.00000
      3     -40.3013      2.00000
      4     -40.2974      2.00000
      5     -40.2939      2.00000
      6     -40.2931      2.00000
      7      -6.7773      2.00000
      8      -6.6850      2.00000
      9      -6.5687      2.00000
     10      -6.4591      2.00000
     11      -6.3408      2.00000
     12      -6.2169      2.00000
     13      -6.0490      2.00000
     14      -6.0072      2.00000
     15      -5.9341      2.00000
     16      -5.8633      2.00000
     17      -3.0005      2.00000
     18      -2.2096      2.00000
     19       0.2903      2.00000
     20       1.1518      2.00000
     21       4.6677      0.00000
     22       4.8954      0.00000
     23       6.3978      0.00000
     24       7.0989      0.00000

 k-point   362 :      -0.3200    0.0800    0.4286
  band No.  band energies     occupation 
      1     -40.3088      2.00000
      2     -40.3061      2.00000
      3     -40.3006      2.00000
      4     -40.2965      2.00000
      5     -40.2934      2.00000
      6     -40.2927      2.00000
      7      -6.7441      2.00000
      8      -6.6383      2.00000
      9      -6.5098      2.00000
     10      -6.4406      2.00000
     11      -6.3305      2.00000
     12      -6.2719      2.00000
     13      -6.1014      2.00000
     14      -6.0467      2.00000
     15      -5.9752      2.00000
     16      -5.8812      2.00000
     17      -3.5427      2.00000
     18      -2.6927      2.00000
     19      -0.1736      2.00000
     20       0.6837      2.00000
     21       5.6131      0.00000
     22       5.9284      0.00000
     23       6.1435      0.00000
     24       6.9536      0.00000

 k-point   363 :      -0.2800    0.0800    0.4286
  band No.  band energies     occupation 
      1     -40.3087      2.00000
      2     -40.3038      2.00000
      3     -40.2992      2.00000
      4     -40.2956      2.00000
      5     -40.2929      2.00000
      6     -40.2922      2.00000
      7      -6.7140      2.00000
      8      -6.5924      2.00000
      9      -6.4593      2.00000
     10      -6.4258      2.00000
     11      -6.3396      2.00000
     12      -6.2954      2.00000
     13      -6.1537      2.00000
     14      -6.0990      2.00000
     15      -6.0060      2.00000
     16      -5.8891      2.00000
     17      -4.0132      2.00000
     18      -3.1154      2.00000
     19      -0.5757      2.00000
     20       0.2602      2.00000
     21       5.5544      0.00000
     22       6.6503      0.00000
     23       6.8314      0.00000
     24       7.1447      0.00000

 k-point   364 :      -0.2400    0.0800    0.4286
  band No.  band energies     occupation 
      1     -40.3090      2.00000
      2     -40.3014      2.00000
      3     -40.2974      2.00000
      4     -40.2946      2.00000
      5     -40.2925      2.00000
      6     -40.2917      2.00000
      7      -6.6951      2.00000
      8      -6.5533      2.00000
      9      -6.4541      2.00000
     10      -6.4110      2.00000
     11      -6.3295      2.00000
     12      -6.2995      2.00000
     13      -6.1946      2.00000
     14      -6.1548      2.00000
     15      -6.0182      2.00000
     16      -5.8920      2.00000
     17      -4.4103      2.00000
     18      -3.4766      2.00000
     19      -0.9165      2.00000
     20      -0.1093      2.00000
     21       5.2409      0.00000
     22       6.3850      0.00000
     23       7.9183      0.00000
     24       8.3038      0.00000

 k-point   365 :      -0.2000    0.0800    0.4286
  band No.  band energies     occupation 
      1     -40.3095      2.00000
      2     -40.2992      2.00000
      3     -40.2957      2.00000
      4     -40.2937      2.00000
      5     -40.2923      2.00000
      6     -40.2912      2.00000
      7      -6.6970      2.00000
      8      -6.5272      2.00000
      9      -6.4538      2.00000
     10      -6.4209      2.00000
     11      -6.3166      2.00000
     12      -6.3033      2.00000
     13      -6.2185      2.00000
     14      -6.1789      2.00000
     15      -6.0141      2.00000
     16      -5.8920      2.00000
     17      -4.7330      2.00000
     18      -3.7752      2.00000
     19      -1.1971      2.00000
     20      -0.4190      2.00000
     21       4.9677      0.00000
     22       6.1550      0.00000
     23       9.0475      0.00000
     24       9.4181      0.00000

 k-point   366 :       0.1200    0.1200    0.4286
  band No.  band energies     occupation 
      1     -40.3091      2.00000
      2     -40.3010      2.00000
      3     -40.2974      2.00000
      4     -40.2944      2.00000
      5     -40.2925      2.00000
      6     -40.2918      2.00000
      7      -6.6809      2.00000
      8      -6.5486      2.00000
      9      -6.4418      2.00000
     10      -6.4328      2.00000
     11      -6.3185      2.00000
     12      -6.3017      2.00000
     13      -6.2156      2.00000
     14      -6.1627      2.00000
     15      -6.0071      2.00000
     16      -5.8976      2.00000
     17      -4.4443      2.00000
     18      -3.5100      2.00000
     19      -0.9463      2.00000
     20      -0.1430      2.00000
     21       5.2063      0.00000
     22       6.3622      0.00000
     23       8.4240      0.00000
     24       8.5902      0.00000

 k-point   367 :       0.1600    0.1200    0.4286
  band No.  band energies     occupation 
      1     -40.3088      2.00000
      2     -40.3030      2.00000
      3     -40.2992      2.00000
      4     -40.2952      2.00000
      5     -40.2930      2.00000
      6     -40.2922      2.00000
      7      -6.6818      2.00000
      8      -6.5727      2.00000
      9      -6.4647      2.00000
     10      -6.4118      2.00000
     11      -6.3516      2.00000
     12      -6.3006      2.00000
     13      -6.2100      2.00000
     14      -6.0980      2.00000
     15      -5.9954      2.00000
     16      -5.8995      2.00000
     17      -4.0810      2.00000
     18      -3.1815      2.00000
     19      -0.6346      2.00000
     20       0.1952      2.00000
     21       5.4920      0.00000
     22       6.5902      0.00000
     23       7.4524      0.00000
     24       7.7803      0.00000

 k-point   368 :       0.2000    0.1200    0.4286
  band No.  band energies     occupation 
      1     -40.3087      2.00000
      2     -40.3052      2.00000
      3     -40.3007      2.00000
      4     -40.2962      2.00000
      5     -40.2937      2.00000
      6     -40.2926      2.00000
      7      -6.7001      2.00000
      8      -6.6063      2.00000
      9      -6.4991      2.00000
     10      -6.4021      2.00000
     11      -6.3641      2.00000
     12      -6.3051      2.00000
     13      -6.1685      2.00000
     14      -6.0418      2.00000
     15      -5.9781      2.00000
     16      -5.8936      2.00000
     17      -3.6446      2.00000
     18      -2.7906      2.00000
     19      -0.2613      2.00000
     20       0.5912      2.00000
     21       5.7945      0.00000
     22       6.2823      0.00000
     23       6.6450      0.00000
     24       7.0569      0.00000

 k-point   369 :       0.2400    0.1200    0.4286
  band No.  band energies     occupation 
      1     -40.3091      2.00000
      2     -40.3073      2.00000
      3     -40.3015      2.00000
      4     -40.2971      2.00000
      5     -40.2944      2.00000
      6     -40.2929      2.00000
      7      -6.7267      2.00000
      8      -6.6482      2.00000
      9      -6.5412      2.00000
     10      -6.4323      2.00000
     11      -6.3429      2.00000
     12      -6.2878      2.00000
     13      -6.1094      2.00000
     14      -6.0098      2.00000
     15      -5.9533      2.00000
     16      -5.8748      2.00000
     17      -3.1368      2.00000
     18      -2.3387      2.00000
     19       0.1736      2.00000
     20       1.0390      2.00000
     21       5.2440      0.00000
     22       5.5376      0.00000
     23       6.1989      0.00000
     24       7.2785      0.00000

 k-point   370 :       0.2800    0.1200    0.4286
  band No.  band energies     occupation 
      1     -40.3102      2.00000
      2     -40.3090      2.00000
      3     -40.3017      2.00000
      4     -40.2980      2.00000
      5     -40.2950      2.00000
      6     -40.2934      2.00000
      7      -6.7547      2.00000
      8      -6.6919      2.00000
      9      -6.5827      2.00000
     10      -6.4581      2.00000
     11      -6.3564      2.00000
     12      -6.2303      2.00000
     13      -6.0459      2.00000
     14      -5.9957      2.00000
     15      -5.9322      2.00000
     16      -5.8443      2.00000
     17      -2.5596      2.00000
     18      -1.8272      2.00000
     19       0.6690      2.00000
     20       1.5269      2.00111
     21       4.2542      0.00000
     22       4.4977      0.00000
     23       6.4484      0.00000
     24       6.8103      0.00000

 k-point   371 :       0.3200    0.1200    0.4286
  band No.  band energies     occupation 
      1     -40.3116      2.00000
      2     -40.3104      2.00000
      3     -40.3015      2.00000
      4     -40.2988      2.00000
      5     -40.2954      2.00000
      6     -40.2939      2.00000
      7      -6.7801      2.00000
      8      -6.7310      2.00000
      9      -6.6182      2.00000
     10      -6.4767      2.00000
     11      -6.3769      2.00000
     12      -6.1685      2.00000
     13      -5.9991      2.00000
     14      -5.9777      2.00000
     15      -5.9162      2.00000
     16      -5.8151      2.00000
     17      -1.9152      2.00000
     18      -1.2583      2.00000
     19       1.2164      2.00000
     20       2.0110      2.02782
     21       3.2704     -0.06734
     22       3.5926      0.00000
     23       5.8869      0.00000
     24       6.5823      0.00000

 k-point   372 :       0.3600    0.1200    0.4286
  band No.  band energies     occupation 
      1     -40.3129      2.00000
      2     -40.3113      2.00000
      3     -40.3012      2.00000
      4     -40.2995      2.00000
      5     -40.2957      2.00000
      6     -40.2943      2.00000
      7      -6.8003      2.00000
      8      -6.7614      2.00000
      9      -6.6451      2.00000
     10      -6.4885      2.00000
     11      -6.3959      2.00000
     12      -6.1149      2.00000
     13      -5.9884      2.00000
     14      -5.9506      2.00000
     15      -5.8903      2.00000
     16      -5.7973      2.00000
     17      -1.2058      2.00000
     18      -0.6350      2.00000
     19       1.7294      2.00000
     20       2.1106      2.00496
     21       2.4529      1.39512
     22       3.1401      0.00000
     23       5.0369      0.00000
     24       5.8363      0.00000

 k-point   373 :       0.4000    0.1200    0.4286
  band No.  band energies     occupation 
      1     -40.3136      2.00000
      2     -40.3119      2.00000
      3     -40.3010      2.00000
      4     -40.2998      2.00000
      5     -40.2957      2.00000
      6     -40.2947      2.00000
      7      -6.8134      2.00000
      8      -6.7804      2.00000
      9      -6.6617      2.00000
     10      -6.4946      2.00000
     11      -6.4093      2.00000
     12      -6.0783      2.00000
     13      -5.9794      2.00000
     14      -5.9497      2.00000
     15      -5.8547      2.00000
     16      -5.7935      2.00000
     17      -0.4345      2.00000
     18       0.0375      2.00000
     19       1.2644      2.00000
     20       1.4936      2.00000
     21       2.6799      0.54396
     22       3.4959      0.00000
     23       4.2415      0.00000
     24       5.0905      0.00000

 k-point   374 :       0.4400    0.1200    0.4286
  band No.  band energies     occupation 
      1     -40.3139      2.00000
      2     -40.3122      2.00000
      3     -40.3009      2.00000
      4     -40.2999      2.00000
      5     -40.2957      2.00000
      6     -40.2949      2.00000
      7      -6.8180      2.00000
      8      -6.7867      2.00000
      9      -6.6674      2.00000
     10      -6.4964      2.00000
     11      -6.4142      2.00000
     12      -6.0653      2.00000
     13      -5.9708      2.00000
     14      -5.9567      2.00000
     15      -5.8364      2.00000
     16      -5.7970      2.00000
     17       0.3426      2.00000
     18       0.4457      2.00000
     19       0.6882      2.00000
     20       0.8382      2.00000
     21       3.2515     -0.14867
     22       3.4295      0.00000
     23       4.1175      0.00000
     24       4.5531      0.00000

 k-point   375 :       0.4800    0.1200    0.4286
  band No.  band energies     occupation 
      1     -40.3136      2.00000
      2     -40.3120      2.00000
      3     -40.3010      2.00000
      4     -40.2998      2.00000
      5     -40.2958      2.00000
      6     -40.2947      2.00000
      7      -6.8134      2.00000
      8      -6.7802      2.00000
      9      -6.6617      2.00000
     10      -6.4946      2.00000
     11      -6.4093      2.00000
     12      -6.0782      2.00000
     13      -5.9795      2.00000
     14      -5.9499      2.00000
     15      -5.8548      2.00000
     16      -5.7935      2.00000
     17      -0.4368      2.00000
     18       0.0444      2.00000
     19       1.2788      2.00000
     20       1.4881      2.00000
     21       2.5881      1.12189
     22       3.6095      0.00000
     23       4.2360      0.00000
     24       5.0676      0.00000

 k-point   376 :      -0.4800    0.1200    0.4286
  band No.  band energies     occupation 
      1     -40.3128      2.00000
      2     -40.3113      2.00000
      3     -40.3012      2.00000
      4     -40.2994      2.00000
      5     -40.2957      2.00000
      6     -40.2944      2.00000
      7      -6.8004      2.00000
      8      -6.7612      2.00000
      9      -6.6451      2.00000
     10      -6.4885      2.00000
     11      -6.3959      2.00000
     12      -6.1148      2.00000
     13      -5.9886      2.00000
     14      -5.9509      2.00000
     15      -5.8903      2.00000
     16      -5.7972      2.00000
     17      -1.2069      2.00000
     18      -0.6294      2.00000
     19       1.7857      2.00000
     20       2.0662      2.00000
     21       2.3489      1.72521
     22       3.2290      0.00000
     23       5.0918      0.00000
     24       5.7963      0.00000

 k-point   377 :      -0.4400    0.1200    0.4286
  band No.  band energies     occupation 
      1     -40.3116      2.00000
      2     -40.3104      2.00000
      3     -40.3015      2.00000
      4     -40.2989      2.00000
      5     -40.2954      2.00000
      6     -40.2938      2.00000
      7      -6.7801      2.00000
      8      -6.7307      2.00000
      9      -6.6182      2.00000
     10      -6.4767      2.00000
     11      -6.3769      2.00000
     12      -6.1684      2.00000
     13      -5.9997      2.00000
     14      -5.9778      2.00000
     15      -5.9163      2.00000
     16      -5.8151      2.00000
     17      -1.9158      2.00000
     18      -1.2537      2.00000
     19       1.2211      2.00000
     20       1.9811      2.00000
     21       3.2564     -0.09758
     22       3.6237      0.00000
     23       5.9960      0.00000
     24       6.4947      0.00000

 k-point   378 :      -0.4000    0.1200    0.4286
  band No.  band energies     occupation 
      1     -40.3102      2.00000
      2     -40.3091      2.00000
      3     -40.3017      2.00000
      4     -40.2981      2.00000
      5     -40.2950      2.00000
      6     -40.2934      2.00000
      7      -6.7547      2.00000
      8      -6.6914      2.00000
      9      -6.5827      2.00000
     10      -6.4581      2.00000
     11      -6.3565      2.00000
     12      -6.2302      2.00000
     13      -6.0464      2.00000
     14      -5.9958      2.00000
     15      -5.9324      2.00000
     16      -5.8442      2.00000
     17      -2.5601      2.00000
     18      -1.8235      2.00000
     19       0.6666      2.00000
     20       1.5172      2.00000
     21       4.2644      0.00000
     22       4.4883      0.00000
     23       6.6026      0.00000
     24       7.1141      0.00000

 k-point   379 :      -0.3600    0.1200    0.4286
  band No.  band energies     occupation 
      1     -40.3091      2.00000
      2     -40.3073      2.00000
      3     -40.3015      2.00000
      4     -40.2971      2.00000
      5     -40.2943      2.00000
      6     -40.2930      2.00000
      7      -6.7267      2.00000
      8      -6.6477      2.00000
      9      -6.5412      2.00000
     10      -6.4322      2.00000
     11      -6.3430      2.00000
     12      -6.2878      2.00000
     13      -6.1098      2.00000
     14      -6.0099      2.00000
     15      -5.9538      2.00000
     16      -5.8746      2.00000
     17      -3.1371      2.00000
     18      -2.3359      2.00000
     19       0.1704      2.00000
     20       1.0355      2.00000
     21       5.2708      0.00000
     22       5.4946      0.00000
     23       6.3093      0.00000
     24       7.1091      0.00000

 k-point   380 :      -0.3200    0.1200    0.4286
  band No.  band energies     occupation 
      1     -40.3087      2.00000
      2     -40.3052      2.00000
      3     -40.3007      2.00000
      4     -40.2961      2.00000
      5     -40.2937      2.00000
      6     -40.2926      2.00000
      7      -6.7002      2.00000
      8      -6.6057      2.00000
      9      -6.4991      2.00000
     10      -6.4019      2.00000
     11      -6.3643      2.00000
     12      -6.3050      2.00000
     13      -6.1688      2.00000
     14      -6.0417      2.00000
     15      -5.9787      2.00000
     16      -5.8934      2.00000
     17      -3.6448      2.00000
     18      -2.7887      2.00000
     19      -0.2638      2.00000
     20       0.5901      2.00000
     21       5.7980      0.00000
     22       6.4160      0.00000
     23       6.6001      0.00000
     24       6.8788      0.00000

 k-point   381 :      -0.2800    0.1200    0.4286
  band No.  band energies     occupation 
      1     -40.3087      2.00000
      2     -40.3030      2.00000
      3     -40.2992      2.00000
      4     -40.2952      2.00000
      5     -40.2930      2.00000
      6     -40.2923      2.00000
      7      -6.6819      2.00000
      8      -6.5723      2.00000
      9      -6.4646      2.00000
     10      -6.4118      2.00000
     11      -6.3516      2.00000
     12      -6.3006      2.00000
     13      -6.2102      2.00000
     14      -6.0980      2.00000
     15      -5.9959      2.00000
     16      -5.8994      2.00000
     17      -4.0811      2.00000
     18      -3.1805      2.00000
     19      -0.6358      2.00000
     20       0.1950      2.00000
     21       5.4995      0.00000
     22       6.6087      0.00000
     23       7.4384      0.00000
     24       7.6618      0.00000

 k-point   382 :       0.1600    0.1600    0.4286
  band No.  band energies     occupation 
      1     -40.3086      2.00000
      2     -40.3048      2.00000
      3     -40.3008      2.00000
      4     -40.2959      2.00000
      5     -40.2939      2.00000
      6     -40.2926      2.00000
      7      -6.6787      2.00000
      8      -6.5903      2.00000
      9      -6.5020      2.00000
     10      -6.3932      2.00000
     11      -6.3685      2.00000
     12      -6.3089      2.00000
     13      -6.2086      2.00000
     14      -6.0391      2.00000
     15      -5.9775      2.00000
     16      -5.8992      2.00000
     17      -3.6783      2.00000
     18      -2.8213      2.00000
     19      -0.2929      2.00000
     20       0.5591      2.00000
     21       5.7950      0.00000
     22       6.6984      0.00000
     23       6.9422      0.00000
     24       7.0665      0.00000

 k-point   383 :       0.2000    0.1600    0.4286
  band No.  band energies     occupation 
      1     -40.3089      2.00000
      2     -40.3065      2.00000
      3     -40.3018      2.00000
      4     -40.2968      2.00000
      5     -40.2948      2.00000
      6     -40.2929      2.00000
      7      -6.6885      2.00000
      8      -6.6159      2.00000
      9      -6.5392      2.00000
     10      -6.4002      2.00000
     11      -6.3544      2.00000
     12      -6.3201      2.00000
     13      -6.1739      2.00000
     14      -6.0053      2.00000
     15      -5.9625      2.00000
     16      -5.8815      2.00000
     17      -3.2040      2.00000
     18      -2.4003      2.00000
     19       0.1124      2.00000
     20       0.9784      2.00000
     21       5.8119      0.00000
     22       6.1250      0.00000
     23       6.2020      0.00000
     24       6.7348      0.00000

 k-point   384 :       0.2400    0.1600    0.4286
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.3082      2.00000
      3     -40.3022      2.00000
      4     -40.2977      2.00000
      5     -40.2957      2.00000
      6     -40.2932      2.00000
      7      -6.7055      2.00000
      8      -6.6526      2.00000
      9      -6.5684      2.00000
     10      -6.4240      2.00000
     11      -6.3514      2.00000
     12      -6.2961      2.00000
     13      -6.1166      2.00000
     14      -5.9988      2.00000
     15      -5.9504      2.00000
     16      -5.8503      2.00000
     17      -2.6606      2.00000
     18      -1.9191      2.00000
     19       0.5797      2.00000
     20       1.4453      2.00000
     21       4.8606      0.00000
     22       5.1456      0.00000
     23       6.2857      0.00000
     24       6.4662      0.00000

 k-point   385 :       0.2800    0.1600    0.4286
  band No.  band energies     occupation 
      1     -40.3107      2.00000
      2     -40.3096      2.00000
      3     -40.3023      2.00000
      4     -40.2986      2.00000
      5     -40.2962      2.00000
      6     -40.2937      2.00000
      7      -6.7244      2.00000
      8      -6.6914      2.00000
      9      -6.5910      2.00000
     10      -6.4458      2.00000
     11      -6.3740      2.00000
     12      -6.2395      2.00000
     13      -6.0497      2.00000
     14      -6.0019      2.00000
     15      -5.9463      2.00000
     16      -5.8221      2.00000
     17      -2.0505      2.00000
     18      -1.3796      2.00000
     19       1.1051      2.00000
     20       1.9405      2.07723
     21       3.8902      0.00000
     22       4.1683      0.00000
     23       5.9850      0.00000
     24       6.4145      0.00000

 k-point   386 :       0.3200    0.1600    0.4286
  band No.  band energies     occupation 
      1     -40.3119      2.00000
      2     -40.3105      2.00000
      3     -40.3022      2.00000
      4     -40.2993      2.00000
      5     -40.2966      2.00000
      6     -40.2942      2.00000
      7      -6.7424      2.00000
      8      -6.7237      2.00000
      9      -6.6080      2.00000
     10      -6.4613      2.00000
     11      -6.3989      2.00000
     12      -6.1796      2.00000
     13      -6.0066      2.00000
     14      -5.9825      2.00000
     15      -5.9510      2.00000
     16      -5.8073      2.00000
     17      -1.3759      2.00000
     18      -0.7846      2.00000
     19       1.6645      2.00000
     20       2.3502      2.02912
     21       2.9524     -0.06562
     22       3.3968      0.00000
     23       5.4714      0.00000
     24       6.0875      0.00000

 k-point   387 :       0.3600    0.1600    0.4286
  band No.  band energies     occupation 
      1     -40.3127      2.00000
      2     -40.3111      2.00000
      3     -40.3022      2.00000
      4     -40.2998      2.00000
      5     -40.2966      2.00000
      6     -40.2946      2.00000
      7      -6.7582      2.00000
      8      -6.7444      2.00000
      9      -6.6194      2.00000
     10      -6.4688      2.00000
     11      -6.4213      2.00000
     12      -6.1259      2.00000
     13      -6.0086      2.00000
     14      -5.9670      2.00000
     15      -5.9195      2.00000
     16      -5.8093      2.00000
     17      -0.6396      2.00000
     18      -0.1379      2.00000
     19       1.8262      2.00000
     20       1.9931      2.00283
     21       2.5823      0.51771
     22       3.4074      0.00000
     23       4.7338      0.00000
     24       5.5126      0.00000

 k-point   388 :       0.4000    0.1600    0.4286
  band No.  band energies     occupation 
      1     -40.3131      2.00000
      2     -40.3115      2.00000
      3     -40.3022      2.00000
      4     -40.3000      2.00000
      5     -40.2965      2.00000
      6     -40.2949      2.00000
      7      -6.7681      2.00000
      8      -6.7535      2.00000
      9      -6.6251      2.00000
     10      -6.4697      2.00000
     11      -6.4360      2.00000
     12      -6.0900      2.00000
     13      -6.0050      2.00000
     14      -5.9865      2.00000
     15      -5.8703      2.00000
     16      -5.8278      2.00000
     17       0.1514      2.00000
     18       0.5481      2.00000
     19       1.0117      2.00000
     20       1.3100      2.00000
     21       3.1799     -0.11825
     22       3.7191      0.00000
     23       4.1662      0.00000
     24       4.8666      0.00000

 k-point   389 :       0.4400    0.1600    0.4286
  band No.  band energies     occupation 
      1     -40.3131      2.00000
      2     -40.3115      2.00000
      3     -40.3022      2.00000
      4     -40.3000      2.00000
      5     -40.2964      2.00000
      6     -40.2949      2.00000
      7      -6.7680      2.00000
      8      -6.7535      2.00000
      9      -6.6251      2.00000
     10      -6.4698      2.00000
     11      -6.4360      2.00000
     12      -6.0900      2.00000
     13      -6.0052      2.00000
     14      -5.9865      2.00000
     15      -5.8704      2.00000
     16      -5.8278      2.00000
     17       0.1477      2.00000
     18       0.5544      2.00000
     19       1.0239      2.00000
     20       1.2996      2.00000
     21       3.0842     -0.18477
     22       3.9088      0.00000
     23       4.1063      0.00000
     24       4.8273      0.00000

 k-point   390 :       0.4800    0.1600    0.4286
  band No.  band energies     occupation 
      1     -40.3127      2.00000
      2     -40.3112      2.00000
      3     -40.3022      2.00000
      4     -40.2998      2.00000
      5     -40.2966      2.00000
      6     -40.2946      2.00000
      7      -6.7580      2.00000
      8      -6.7444      2.00000
      9      -6.6194      2.00000
     10      -6.4688      2.00000
     11      -6.4213      2.00000
     12      -6.1258      2.00000
     13      -6.0088      2.00000
     14      -5.9671      2.00000
     15      -5.9196      2.00000
     16      -5.8093      2.00000
     17      -0.6414      2.00000
     18      -0.1325      2.00000
     19       1.8886      2.00000
     20       1.9783      2.00000
     21       2.4406      1.42763
     22       3.5063      0.00000
     23       4.8151      0.00000
     24       5.4214      0.00000

 k-point   391 :      -0.4800    0.1600    0.4286
  band No.  band energies     occupation 
      1     -40.3118      2.00000
      2     -40.3106      2.00000
      3     -40.3022      2.00000
      4     -40.2993      2.00000
      5     -40.2965      2.00000
      6     -40.2942      2.00000
      7      -6.7423      2.00000
      8      -6.7236      2.00000
      9      -6.6079      2.00000
     10      -6.4614      2.00000
     11      -6.3989      2.00000
     12      -6.1795      2.00000
     13      -6.0067      2.00000
     14      -5.9828      2.00000
     15      -5.9510      2.00000
     16      -5.8072      2.00000
     17      -1.3768      2.00000
     18      -0.7805      2.00000
     19       1.6867      2.00000
     20       2.2916      2.01541
     21       2.9254     -0.07445
     22       3.4518      0.00000
     23       5.6909      0.00000
     24       5.9136      0.00000

 k-point   392 :      -0.4400    0.1600    0.4286
  band No.  band energies     occupation 
      1     -40.3107      2.00000
      2     -40.3096      2.00000
      3     -40.3023      2.00000
      4     -40.2986      2.00000
      5     -40.2962      2.00000
      6     -40.2937      2.00000
      7      -6.7243      2.00000
      8      -6.6912      2.00000
      9      -6.5909      2.00000
     10      -6.4459      2.00000
     11      -6.3740      2.00000
     12      -6.2395      2.00000
     13      -6.0499      2.00000
     14      -6.0022      2.00000
     15      -5.9464      2.00000
     16      -5.8221      2.00000
     17      -2.0509      2.00000
     18      -1.3766      2.00000
     19       1.1066      2.00000
     20       1.9248      2.05613
     21       3.9056      0.00000
     22       4.1506      0.00000
     23       6.1894      0.00000
     24       6.3528      0.00000

 k-point   393 :      -0.4000    0.1600    0.4286
  band No.  band energies     occupation 
      1     -40.3096      2.00000
      2     -40.3082      2.00000
      3     -40.3022      2.00000
      4     -40.2977      2.00000
      5     -40.2956      2.00000
      6     -40.2933      2.00000
      7      -6.7055      2.00000
      8      -6.6523      2.00000
      9      -6.5683      2.00000
     10      -6.4241      2.00000
     11      -6.3514      2.00000
     12      -6.2961      2.00000
     13      -6.1167      2.00000
     14      -5.9989      2.00000
     15      -5.9505      2.00000
     16      -5.8502      2.00000
     17      -2.6609      2.00000
     18      -1.9171      2.00000
     19       0.5783      2.00000
     20       1.4407      2.00000
     21       4.9138      0.00000
     22       5.0654      0.00000
     23       6.3909      0.00000
     24       6.5682      0.00000

 k-point   394 :      -0.3600    0.1600    0.4286
  band No.  band energies     occupation 
      1     -40.3089      2.00000
      2     -40.3065      2.00000
      3     -40.3018      2.00000
      4     -40.2968      2.00000
      5     -40.2948      2.00000
      6     -40.2929      2.00000
      7      -6.6885      2.00000
      8      -6.6156      2.00000
      9      -6.5392      2.00000
     10      -6.4003      2.00000
     11      -6.3543      2.00000
     12      -6.3201      2.00000
     13      -6.1740      2.00000
     14      -6.0054      2.00000
     15      -5.9627      2.00000
     16      -5.8815      2.00000
     17      -3.2041      2.00000
     18      -2.3993      2.00000
     19       0.1113      2.00000
     20       0.9772      2.00000
     21       5.8522      0.00000
     22       6.0355      0.00000
     23       6.2526      0.00000
     24       6.7857      0.00000

 k-point   395 :       0.2000    0.2000    0.4286
  band No.  band energies     occupation 
      1     -40.3094      2.00000
      2     -40.3079      2.00000
      3     -40.3025      2.00000
      4     -40.2974      2.00000
      5     -40.2961      2.00000
      6     -40.2932      2.00000
      7      -6.6849      2.00000
      8      -6.6326      2.00000
      9      -6.5660      2.00000
     10      -6.4142      2.00000
     11      -6.3417      2.00000
     12      -6.3176      2.00000
     13      -6.1585      2.00000
     14      -5.9974      2.00000
     15      -5.9573      2.00000
     16      -5.8521      2.00000
     17      -2.6940      2.00000
     18      -1.9489      2.00000
     19       0.5494      2.00000
     20       1.4162      2.00000
     21       5.3333      0.00000
     22       5.5509      0.00000
     23       5.8945      0.00000
     24       6.1996      0.00000

 k-point   396 :       0.2400    0.2000    0.4286
  band No.  band energies     occupation 
      1     -40.3102      2.00000
      2     -40.3090      2.00000
      3     -40.3029      2.00000
      4     -40.2981      2.00000
      5     -40.2971      2.00000
      6     -40.2936      2.00000
      7      -6.6883      2.00000
      8      -6.6608      2.00000
      9      -6.5781      2.00000
     10      -6.4225      2.00000
     11      -6.3654      2.00000
     12      -6.2809      2.00000
     13      -6.1184      2.00000
     14      -6.0045      2.00000
     15      -5.9581      2.00000
     16      -5.8248      2.00000
     17      -2.1174      2.00000
     18      -1.4395      2.00000
     19       1.0485      2.00000
     20       1.8959      2.07573
     21       4.4775      0.00000
     22       4.8159      0.00000
     23       5.3456      0.00000
     24       5.8464      0.00000

 k-point   397 :       0.2800    0.2000    0.4286
  band No.  band energies     occupation 
      1     -40.3110      2.00000
      2     -40.3098      2.00000
      3     -40.3031      2.00000
      4     -40.2989      2.00000
      5     -40.2974      2.00000
      6     -40.2941      2.00000
      7      -6.7041      2.00000
      8      -6.6789      2.00000
      9      -6.5864      2.00000
     10      -6.4303      2.00000
     11      -6.3900      2.00000
     12      -6.2378      2.00000
     13      -6.0649      2.00000
     14      -6.0129      2.00000
     15      -5.9656      2.00000
     16      -5.8112      2.00000
     17      -1.4769      2.00000
     18      -0.8737      2.00000
     19       1.5989      2.00000
     20       2.3784      1.91651
     21       3.5698      0.00000
     22       3.9199      0.00000
     23       5.0784      0.00000
     24       5.5813      0.00000

 k-point   398 :       0.3200    0.2000    0.4286
  band No.  band energies     occupation 
      1     -40.3117      2.00000
      2     -40.3104      2.00000
      3     -40.3034      2.00000
      4     -40.2998      2.00000
      5     -40.2973      2.00000
      6     -40.2945      2.00000
      7      -6.7264      2.00000
      8      -6.6841      2.00000
      9      -6.5918      2.00000
     10      -6.4409      2.00000
     11      -6.4107      2.00000
     12      -6.1885      2.00000
     13      -6.0387      2.00000
     14      -6.0014      2.00000
     15      -5.9681      2.00000
     16      -5.8149      2.00000
     17      -0.7756      2.00000
     18      -0.2548      2.00000
     19       2.1015      2.00000
     20       2.5348      1.77547
     21       2.7762     -0.00255
     22       3.4272      0.00000
     23       4.8281      0.00000
     24       5.4434      0.00000

 k-point   399 :       0.3600    0.2000    0.4286
  band No.  band energies     occupation 
      1     -40.3122      2.00000
      2     -40.3107      2.00000
      3     -40.3037      2.00000
      4     -40.3004      2.00000
      5     -40.2971      2.00000
      6     -40.2949      2.00000
      7      -6.7416      2.00000
      8      -6.6867      2.00000
      9      -6.5936      2.00000
     10      -6.4519      2.00000
     11      -6.4231      2.00000
     12      -6.1401      2.00000
     13      -6.0503      2.00000
     14      -6.0074      2.00000
     15      -5.9232      2.00000
     16      -5.8363      2.00000
     17      -0.0186      2.00000
     18       0.4103      2.00000
     19       1.6522      2.00000
     20       1.8861      2.00000
     21       3.0562     -0.02240
     22       3.7360      0.00000
     23       4.4545      0.00000
     24       5.0240      0.00000

 k-point   400 :       0.4000    0.2000    0.4286
  band No.  band energies     occupation 
      1     -40.3123      2.00000
      2     -40.3108      2.00000
      3     -40.3038      2.00000
      4     -40.3005      2.00000
      5     -40.2969      2.00000
      6     -40.2951      2.00000
      7      -6.7468      2.00000
      8      -6.6877      2.00000
      9      -6.5937      2.00000
     10      -6.4568      2.00000
     11      -6.4271      2.00000
     12      -6.1117      2.00000
     13      -6.0654      2.00000
     14      -6.0136      2.00000
     15      -5.8753      2.00000
     16      -5.8723      2.00000
     17       0.6911      2.00000
     18       0.8639      2.00000
     19       1.0923      2.00000
     20       1.2359      2.00000
     21       3.5611     -0.00466
     22       3.8119      0.00000
     23       4.2826      0.00000
     24       4.7090      0.00000

 k-point   401 :       0.4400    0.2000    0.4286
  band No.  band energies     occupation 
      1     -40.3122      2.00000
      2     -40.3107      2.00000
      3     -40.3037      2.00000
      4     -40.3003      2.00000
      5     -40.2971      2.00000
      6     -40.2949      2.00000
      7      -6.7415      2.00000
      8      -6.6867      2.00000
      9      -6.5936      2.00000
     10      -6.4520      2.00000
     11      -6.4231      2.00000
     12      -6.1401      2.00000
     13      -6.0504      2.00000
     14      -6.0073      2.00000
     15      -5.9233      2.00000
     16      -5.8363      2.00000
     17      -0.0211      2.00000
     18       0.4149      2.00000
     19       1.6842      2.00000
     20       1.8681      2.00000
     21       2.9315     -0.10265
     22       3.8801      0.00000
     23       4.5999      0.00000
     24       4.9129      0.00000

 k-point   402 :       0.4800    0.2000    0.4286
  band No.  band energies     occupation 
      1     -40.3117      2.00000
      2     -40.3104      2.00000
      3     -40.3034      2.00000
      4     -40.2998      2.00000
      5     -40.2973      2.00000
      6     -40.2945      2.00000
      7      -6.7262      2.00000
      8      -6.6842      2.00000
      9      -6.5918      2.00000
     10      -6.4411      2.00000
     11      -6.4106      2.00000
     12      -6.1884      2.00000
     13      -6.0388      2.00000
     14      -6.0013      2.00000
     15      -5.9683      2.00000
     16      -5.8148      2.00000
     17      -0.7768      2.00000
     18      -0.2514      2.00000
     19       2.1841      2.00000
     20       2.4538      1.93414
     21       2.6781      0.07729
     22       3.5146      0.00000
     23       5.1050      0.00000
     24       5.1966      0.00000

 k-point   403 :      -0.4800    0.2000    0.4286
  band No.  band energies     occupation 
      1     -40.3110      2.00000
      2     -40.3099      2.00000
      3     -40.3032      2.00000
      4     -40.2989      2.00000
      5     -40.2974      2.00000
      6     -40.2941      2.00000
      7      -6.7039      2.00000
      8      -6.6791      2.00000
      9      -6.5863      2.00000
     10      -6.4305      2.00000
     11      -6.3900      2.00000
     12      -6.2377      2.00000
     13      -6.0649      2.00000
     14      -6.0130      2.00000
     15      -5.9656      2.00000
     16      -5.8111      2.00000
     17      -1.4774      2.00000
     18      -0.8715      2.00000
     19       1.6071      2.00000
     20       2.3509      1.97087
     21       3.5936      0.00000
     22       3.8838      0.00000
     23       5.2975      0.00000
     24       5.4111      0.00000

 k-point   404 :      -0.4400    0.2000    0.4286
  band No.  band energies     occupation 
      1     -40.3102      2.00000
      2     -40.3090      2.00000
      3     -40.3029      2.00000
      4     -40.2981      2.00000
      5     -40.2971      2.00000
      6     -40.2937      2.00000
      7      -6.6882      2.00000
      8      -6.6608      2.00000
      9      -6.5780      2.00000
     10      -6.4226      2.00000
     11      -6.3654      2.00000
     12      -6.2808      2.00000
     13      -6.1185      2.00000
     14      -6.0045      2.00000
     15      -5.9581      2.00000
     16      -5.8248      2.00000
     17      -2.1176      2.00000
     18      -1.4385      2.00000
     19       1.0488      2.00000
     20       1.8910      2.07387
     21       4.5668      0.00000
     22       4.6546      0.00000
     23       5.5419      0.00000
     24       5.7376      0.00000

 k-point   405 :       0.2400    0.2400    0.4286
  band No.  band energies     occupation 
      1     -40.3107      2.00000
      2     -40.3096      2.00000
      3     -40.3036      2.00000
      4     -40.2986      2.00000
      5     -40.2981      2.00000
      6     -40.2941      2.00000
      7      -6.6800      2.00000
      8      -6.6741      2.00000
      9      -6.5708      2.00000
     10      -6.4195      2.00000
     11      -6.3872      2.00000
     12      -6.2510      2.00000
     13      -6.1090      2.00000
     14      -6.0165      2.00000
     15      -5.9694      2.00000
     16      -5.8121      2.00000
     17      -1.5106      2.00000
     18      -0.9026      2.00000
     19       1.5770      2.00000
     20       2.3664      1.77433
     21       4.0252      0.00000
     22       4.3425      0.00000
     23       4.6245      0.00000
     24       5.0838      0.00000

 k-point   406 :       0.2800    0.2400    0.4286
  band No.  band energies     occupation 
      1     -40.3110      2.00000
      2     -40.3099      2.00000
      3     -40.3043      2.00000
      4     -40.2998      2.00000
      5     -40.2978      2.00000
      6     -40.2945      2.00000
      7      -6.6999      2.00000
      8      -6.6602      2.00000
      9      -6.5663      2.00000
     10      -6.4205      2.00000
     11      -6.3976      2.00000
     12      -6.2224      2.00000
     13      -6.0923      2.00000
     14      -6.0262      2.00000
     15      -5.9769      2.00000
     16      -5.8163      2.00000
     17      -0.8435      2.00000
     18      -0.3127      2.00000
     19       2.1335      2.00000
     20       2.7837      0.13597
     21       3.2788      0.00000
     22       3.7590      0.00000
     23       4.1781      0.00000
     24       4.7732      0.00000

 k-point   407 :       0.3200    0.2400    0.4286
  band No.  band energies     occupation 
      1     -40.3112      2.00000
      2     -40.3100      2.00000
      3     -40.3049      2.00000
      4     -40.3008      2.00000
      5     -40.2974      2.00000
      6     -40.2949      2.00000
      7      -6.7151      2.00000
      8      -6.6450      2.00000
      9      -6.5699      2.00000
     10      -6.4391      2.00000
     11      -6.3846      2.00000
     12      -6.1935      2.00000
     13      -6.0961      2.00000
     14      -6.0279      2.00000
     15      -5.9616      2.00000
     16      -5.8375      2.00000
     17      -0.1212      2.00000
     18       0.3260      2.00000
     19       2.2573      2.00000
     20       2.4943      1.67666
     21       3.0358      0.00000
     22       3.5560      0.00000
     23       4.0426      0.00000
     24       4.7273      0.00000

 k-point   408 :       0.3600    0.2400    0.4286
  band No.  band energies     occupation 
      1     -40.3114      2.00000
      2     -40.3100      2.00000
      3     -40.3053      2.00000
      4     -40.3014      2.00000
      5     -40.2971      2.00000
      6     -40.2953      2.00000
      7      -6.7231      2.00000
      8      -6.6333      2.00000
      9      -6.5761      2.00000
     10      -6.4515      2.00000
     11      -6.3755      2.00000
     12      -6.1596      2.00000
     13      -6.1234      2.00000
     14      -6.0297      2.00000
     15      -5.9217      2.00000
     16      -5.8719      2.00000
     17       0.6384      2.00000
     18       0.9893      2.00000
     19       1.5211      2.00000
     20       1.7944      2.00000
     21       3.5976      0.00000
     22       3.6920      0.00000
     23       4.0329      0.00000
     24       4.5870      0.00000

 k-point   409 :       0.4000    0.2400    0.4286
  band No.  band energies     occupation 
      1     -40.3114      2.00000
      2     -40.3100      2.00000
      3     -40.3053      2.00000
      4     -40.3014      2.00000
      5     -40.2971      2.00000
      6     -40.2953      2.00000
      7      -6.7230      2.00000
      8      -6.6333      2.00000
      9      -6.5760      2.00000
     10      -6.4515      2.00000
     11      -6.3755      2.00000
     12      -6.1596      2.00000
     13      -6.1234      2.00000
     14      -6.0297      2.00000
     15      -5.9218      2.00000
     16      -5.8718      2.00000
     17       0.6366      2.00000
     18       0.9859      2.00000
     19       1.5589      2.00000
     20       1.7658      2.00000
     21       3.3736     -0.00175
     22       3.9820      0.00000
     23       4.1201      0.00000
     24       4.4537      0.00000

 k-point   410 :       0.4400    0.2400    0.4286
  band No.  band energies     occupation 
      1     -40.3112      2.00000
      2     -40.3100      2.00000
      3     -40.3050      2.00000
      4     -40.3008      2.00000
      5     -40.2974      2.00000
      6     -40.2950      2.00000
      7      -6.7150      2.00000
      8      -6.6451      2.00000
      9      -6.5699      2.00000
     10      -6.4392      2.00000
     11      -6.3846      2.00000
     12      -6.1935      2.00000
     13      -6.0961      2.00000
     14      -6.0278      2.00000
     15      -5.9617      2.00000
     16      -5.8375      2.00000
     17      -0.1225      2.00000
     18       0.3283      2.00000
     19       2.3425      2.00000
     20       2.4692      1.73758
     21       2.8344     -0.00135
     22       3.6731      0.00000
     23       4.2309      0.00000
     24       4.5736      0.00000

 k-point   411 :       0.4800    0.2400    0.4286
  band No.  band energies     occupation 
      1     -40.3110      2.00000
      2     -40.3099      2.00000
      3     -40.3043      2.00000
      4     -40.2998      2.00000
      5     -40.2978      2.00000
      6     -40.2945      2.00000
      7      -6.6998      2.00000
      8      -6.6603      2.00000
      9      -6.5662      2.00000
     10      -6.4206      2.00000
     11      -6.3976      2.00000
     12      -6.2224      2.00000
     13      -6.0923      2.00000
     14      -6.0262      2.00000
     15      -5.9769      2.00000
     16      -5.8163      2.00000
     17      -0.8439      2.00000
     18      -0.3115      2.00000
     19       2.1532      2.00000
     20       2.7319      0.33844
     21       3.3109      0.00000
     22       3.6720      0.00000
     23       4.4024      0.00000
     24       4.6401      0.00000

 k-point   412 :       0.2800    0.2800    0.4286
  band No.  band energies     occupation 
      1     -40.3108      2.00000
      2     -40.3097      2.00000
      3     -40.3055      2.00000
      4     -40.3011      2.00000
      5     -40.2975      2.00000
      6     -40.2950      2.00000
      7      -6.7013      2.00000
      8      -6.6411      2.00000
      9      -6.5535      2.00000
     10      -6.4101      2.00000
     11      -6.3902      2.00000
     12      -6.2028      2.00000
     13      -6.1302      2.00000
     14      -6.0368      2.00000
     15      -5.9725      2.00000
     16      -5.8375      2.00000
     17      -0.1558      2.00000
     18       0.2985      2.00000
     19       2.5942      2.00000
     20       2.9294     -0.15803
     21       3.0066      0.00000
     22       3.4502      0.00000
     23       3.5825      0.00000
     24       4.4370      0.00000

 k-point   413 :       0.3200    0.2800    0.4286
  band No.  band energies     occupation 
      1     -40.3105      2.00000
      2     -40.3094      2.00000
      3     -40.3065      2.00000
      4     -40.3021      2.00000
      5     -40.2970      2.00000
      6     -40.2954      2.00000
      7      -6.7038      2.00000
      8      -6.6195      2.00000
      9      -6.5624      2.00000
     10      -6.4081      2.00000
     11      -6.3549      2.00000
     12      -6.1972      2.00000
     13      -6.1673      2.00000
     14      -6.0388      2.00000
     15      -5.9517      2.00000
     16      -5.8707      2.00000
     17       0.5748      2.00000
     18       0.9458      2.00000
     19       2.1761      2.00000
     20       2.4257      1.93626
     21       3.0931     -0.03887
     22       3.3082      0.00000
     23       3.6293      0.00000
     24       4.8057      0.00000

 k-point   414 :       0.3600    0.2800    0.4286
  band No.  band energies     occupation 
      1     -40.3103      2.00000
      2     -40.3092      2.00000
      3     -40.3069      2.00000
      4     -40.3025      2.00000
      5     -40.2968      2.00000
      6     -40.2957      2.00000
      7      -6.7049      2.00000
      8      -6.6047      2.00000
      9      -6.5746      2.00000
     10      -6.4084      2.00000
     11      -6.3299      2.00000
     12      -6.2114      2.00000
     13      -6.1751      2.00000
     14      -6.0381      2.00000
     15      -5.9268      2.00000
     16      -5.8997      2.00000
     17       1.1967      2.00000
     18       1.3754      2.00000
     19       1.7185      2.00000
     20       1.8364      2.00000
     21       3.0180     -0.13921
     22       3.2903      0.00000
     23       4.2449      0.00000
     24       4.4952      0.00000

 k-point   415 :       0.4000    0.2800    0.4286
  band No.  band energies     occupation 
      1     -40.3105      2.00000
      2     -40.3094      2.00000
      3     -40.3065      2.00000
      4     -40.3021      2.00000
      5     -40.2970      2.00000
      6     -40.2954      2.00000
      7      -6.7038      2.00000
      8      -6.6195      2.00000
      9      -6.5624      2.00000
     10      -6.4081      2.00000
     11      -6.3549      2.00000
     12      -6.1971      2.00000
     13      -6.1674      2.00000
     14      -6.0388      2.00000
     15      -5.9517      2.00000
     16      -5.8707      2.00000
     17       0.5741      2.00000
     18       0.9455      2.00000
     19       2.2377      2.00000
     20       2.3723      1.99008
     21       2.9907     -0.02937
     22       3.3625      0.00000
     23       3.7059      0.00000
     24       4.7670      0.00000

 k-point   416 :       0.3200    0.3200    0.4286
  band No.  band energies     occupation 
      1     -40.3094      2.00000
      2     -40.3089      2.00000
      3     -40.3079      2.00000
      4     -40.3029      2.00000
      5     -40.2965      2.00000
      6     -40.2959      2.00000
      7      -6.6964      2.00000
      8      -6.5991      2.00000
      9      -6.5764      2.00000
     10      -6.3457      2.00000
     11      -6.3362      2.00000
     12      -6.2530      2.00000
     13      -6.1892      2.00000
     14      -6.0393      2.00000
     15      -5.9357      2.00000
     16      -5.9056      2.00000
     17       1.2657      2.00000
     18       1.5170      2.00000
     19       2.0962      2.00000
     20       2.2687      2.00000
     21       2.4890      1.06491
     22       2.6963      0.00000
     23       4.3005      0.00000
     24       4.9449      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
-18.192  -0.000  -0.000   0.001  -0.000 -18.223  -0.000  -0.000
 -0.000 -18.194   0.000   0.000   0.001  -0.000 -18.225   0.000
 -0.000   0.000 -18.192  -0.000   0.000  -0.000   0.000 -18.223
  0.001   0.000  -0.000 -18.194  -0.000   0.001   0.000  -0.000
 -0.000   0.001   0.000  -0.000 -18.192  -0.000   0.001   0.000
-18.223  -0.000  -0.000   0.001  -0.000 -18.235  -0.000  -0.000
 -0.000 -18.225   0.000   0.000   0.001  -0.000 -18.237   0.000
 -0.000   0.000 -18.223  -0.000   0.000  -0.000   0.000 -18.235
  0.001   0.000  -0.000 -18.225  -0.000   0.001   0.000  -0.000
 -0.000   0.001   0.000  -0.000 -18.223  -0.000   0.001   0.000
 -0.000  -0.000   0.001   0.000   0.000  -0.000  -0.000   0.001
 -0.000  -0.000   0.002   0.000   0.000  -0.000  -0.000   0.002
 -0.000  -0.007  -0.000   0.000   0.000  -0.000  -0.007  -0.000
  0.000   0.000  -0.008  -0.000  -0.000   0.000   0.000  -0.008
  0.000   0.000   0.000  -0.007  -0.000   0.000   0.000   0.000
 -0.000  -0.007  -0.000   0.000   0.000  -0.000  -0.007  -0.000
  0.000   0.000  -0.009  -0.000  -0.000   0.000   0.000  -0.009
  0.000   0.000   0.000  -0.007  -0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.095  -0.000  -0.000   0.090  -0.000  -0.981   0.000   0.000  -0.079   0.000   0.000   0.000  -0.000  -0.000   0.071   0.000
 -0.000   2.788   0.000   0.000   0.090   0.000  -0.734  -0.000  -0.000  -0.079   0.000  -0.000   0.027   0.000   0.000  -0.021
 -0.000   0.000   3.109  -0.000   0.000   0.000  -0.000  -1.030   0.000  -0.000  -0.131  -0.035   0.000   0.015  -0.000  -0.000
  0.090   0.000  -0.000   2.788   0.000  -0.079  -0.000   0.000  -0.734  -0.000   0.000   0.000   0.000   0.000   0.027  -0.000
 -0.000   0.090   0.000   0.000   3.095  -0.000  -0.079  -0.000  -0.000  -0.981  -0.000  -0.000   0.071   0.000   0.000  -0.008
 -0.981   0.000   0.000  -0.079  -0.000   0.858  -0.000  -0.000   0.068   0.000  -0.000  -0.000   0.000  -0.000  -0.068  -0.000
  0.000  -0.734  -0.000  -0.000  -0.079  -0.000   0.665   0.000   0.000   0.068   0.000   0.000  -0.006  -0.000  -0.000   0.004
  0.000  -0.000  -1.030   0.000  -0.000  -0.000   0.000   0.937  -0.000   0.000   0.140   0.021  -0.000   0.009   0.000   0.000
 -0.079  -0.000   0.000  -0.734  -0.000   0.068   0.000  -0.000   0.665   0.000  -0.000   0.000  -0.000  -0.000  -0.006   0.000
 -0.000  -0.079  -0.000  -0.000  -0.981   0.000   0.068   0.000   0.000   0.858   0.000   0.000  -0.068   0.000  -0.000   0.010
  0.000   0.000  -0.131   0.000  -0.000  -0.000   0.000   0.140  -0.000   0.000   2.699  -0.604   0.000   0.029   0.000   0.000
  0.000  -0.000  -0.035  -0.000  -0.000  -0.000   0.000   0.021   0.000   0.000  -0.604   0.222   0.000   0.010   0.000   0.000
 -0.000   0.027   0.000   0.000   0.071   0.000  -0.006  -0.000  -0.000  -0.068  -0.000   0.000   0.173  -0.000   0.000  -0.029
 -0.000   0.000   0.015   0.000   0.000  -0.000  -0.000   0.009  -0.000   0.000   0.029   0.010   0.000   0.200  -0.000  -0.000
  0.071   0.000  -0.000   0.027   0.000  -0.068  -0.000   0.000  -0.006  -0.000   0.000   0.000   0.000   0.000   0.173  -0.000
  0.000  -0.021  -0.000  -0.000  -0.008  -0.000   0.004   0.000   0.000   0.010   0.000  -0.000  -0.029  -0.000  -0.000   0.006
  0.000  -0.000  -0.028  -0.000  -0.000  -0.000   0.000   0.007   0.000   0.000  -0.005  -0.003  -0.000  -0.030   0.000   0.000
 -0.008  -0.000   0.000  -0.021  -0.000   0.010   0.000  -0.000   0.004   0.000  -0.000   0.000  -0.000   0.000  -0.029   0.000


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


    CHARGE:  cpu time    0.8034: real time    0.8072
    FORLOC:  cpu time    0.0027: real time    0.0027
    FORNL :  cpu time    1.9419: real time    1.9502
    STRESS:  cpu time    2.0889: real time    2.1002
    FORCOR:  cpu time    0.0333: real time    0.0335
    FORHAR:  cpu time    0.0088: real time    0.0089
    MIXING:  cpu time    0.0015: real time    0.0015
    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   227.42753   227.42753   227.42753
  Ewald    -878.30298  -878.30298 -1138.87947     0.00000     0.00000    -0.00000
  Hartree   523.31574   523.31574   271.28776     0.00000     0.00000    -0.00000
  E(xc)    -218.02032  -218.02036  -217.91430    -0.00003    -0.00000     0.00000
  Local      31.42495    31.42487   545.08211    -0.00007    -0.00000     0.00000
  n-local  -292.22770  -294.26914  -292.84389     2.16174     0.01481     0.05587
  augment   118.07997   118.08008   117.84146     0.00009     0.00000    -0.00000
  Kinetic   497.39651   481.18637   487.98487    17.10604    -0.27263    -0.03379
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.03209    -0.03209    -0.01392    -0.00000    -0.00000    -0.00000
  in kB      -0.57286    -0.57286    -0.24858    -0.00000    -0.00000    -0.00000
  external pressure =       -0.46 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      550.00
  volume of cell :       89.75
      direct lattice vectors                 reciprocal lattice vectors
     3.231404817  0.000000000  0.000000000     0.309462929  0.178668505  0.000000000
    -1.615702403  2.798478663  0.000000000    -0.000000000  0.357337011  0.000000000
     0.000000000  0.000000000  9.924846614     0.000000000  0.000000000  0.100757225

  length of vectors
     3.231404817  3.231404816  9.924846614     0.357337011  0.357337011  0.100757225


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.328E-05 -.255E-05 -.222E+03   0.649E-06 -.546E-06 0.223E+03   0.694E-17 -.416E-16 -.125E+01   -.882E-09 0.687E-09 0.746E-04
   -.455E-05 0.328E-05 0.222E+03   -.649E-06 0.546E-06 -.223E+03   0.000E+00 0.278E-16 0.125E+01   0.116E-08 -.846E-09 -.746E-04
   0.363E-05 -.304E-05 0.174E+03   0.435E-06 -.366E-06 -.174E+03   0.694E-17 -.694E-17 0.832E+00   0.605E-10 0.706E-10 0.118E-02
   -.472E-05 0.368E-05 -.174E+03   -.435E-06 0.366E-06 0.174E+03   -.347E-17 0.694E-17 -.832E+00   0.156E-09 -.195E-09 -.118E-02
 -----------------------------------------------------------------------------------------------
   -.237E-05 0.137E-05 0.182E-06   0.161E-13 0.188E-13 0.568E-13   0.104E-16 -.139E-16 0.111E-15   0.492E-09 -.284E-09 0.900E-11
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -0.00000      1.86565      3.73602        -0.000000      0.000000      0.001171
      1.61570      0.93283      1.22640         0.000000     -0.000000     -0.001171
     -0.00000      1.86565      8.71494        -0.000000      0.000000      0.001887
      1.61570      0.93283      6.17233         0.000000     -0.000000     -0.001887
 -----------------------------------------------------------------------------------
    total drift:                               -0.000002      0.000001      0.000000


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =        -4.63697997 eV

  energy  without entropy=       -4.63697997  energy(sigma->0) =       -4.63697997
 


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


    POTLOK:  cpu time    0.0334: real time    0.0337


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


     LOOP+:  cpu time  144.0415: real time  145.2881
    4ORBIT:  cpu time    0.0000: real time    0.0000
 BZINTS: Fermi energy:  2.600696; 40.000000 electrons
         Band energy:-613.746715;  BLOECHL correction: -0.044643

 total amount of memory used by VASP MPI-rank0   165866. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      53223. kBytes
   fftplans  :       3315. kBytes
   grid      :       5512. kBytes
   one-center:         15. kBytes
   wavefun   :      73801. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):      146.793
                            User time (sec):      145.932
                          System time (sec):        0.861
                         Elapsed time (sec):      148.553
  
                   Maximum memory used (kb):      294052.
                   Average memory used (kb):           0.
  
                          Minor page faults:       408671
                          Major page faults:           22
                 Voluntary context switches:         2236
