 vasp.4.6.27 26Jun05 complex 
 executed on             LinuxIFC date 2012.08.31  13:48:41
 serial version


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


 INCAR:
 POTCAR:   PAW_PBE Pt 05Jan2001                   
 POTCAR:   PAW_PBE C 08Apr2002                    
 POTCAR:   PAW_PBE Pt 05Jan2001                   
   VRHFIN =Pt: s1d9                                                             
   LEXCH  = PE                                                                  
   EATOM  =   729.1171 eV,   53.5886 Ry                                         
                                                                                
   TITEL  = PAW_PBE Pt 05Jan2001                                                
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    2.330    partial core radius                                     
   POMASS =  195.080; ZVAL   =   10.000    mass and valenz                      
   RCORE  =    2.500    outmost cutoff radius                                   
   RWIGS  =    2.750; RWIGS  =    1.455    wigner-seitz radius (au A)           
   ENMAX  =  230.283; ENMIN  =  172.712 eV                                      
   RCLOC  =    1.896    cutoff for local pot                                    
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  358.966                                                            
   DEXC   =    -.039                                                            
   RMAX   =    3.038    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.590    radius for radial grids                                 
   QCUT   =   -4.114; QGAM   =    8.228    optimization parameters              
                                                                                
   Description                                                                  
     l     E      TYP  RCUT    TYP  RCUT                                        
     2   .000     23  2.500                                                     
     2   .000     23  2.500                                                     
     0   .000     23  2.500                                                     
     0   .000     23  2.500                                                     
     1  -.200     23  2.500                                                     
     1  1.500     23  2.500                                                     
     3   .000      7   .000                                                     
  local pseudopotential read in
  partial core-charges 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 C 08Apr2002                    
   VRHFIN =C: s2p2                                                              
   LEXCH  = PE                                                                  
   EATOM  =   147.1560 eV,   10.8157 Ry                                         
                                                                                
   TITEL  = PAW_PBE C 08Apr2002                                                 
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        0    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =     .000    partial core radius                                     
   POMASS =   12.011; ZVAL   =    4.000    mass and valenz                      
   RCORE  =    1.500    outmost cutoff radius                                   
   RWIGS  =    1.630; RWIGS  =     .863    wigner-seitz radius (au A)           
   ENMAX  =  400.000; ENMIN  =  300.000 eV                                      
   ICORE  =        2    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  644.873                                                            
   DEXC   =     .000                                                            
   RMAX   =    2.266    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.501    radius for radial grids                                 
   RDEPT  =    1.300    core radius for aug-charge                              
   QCUT   =   -5.516; QGAM   =   11.032    optimization parameters              
                                                                                
   Description                                                                  
     l     E      TYP  RCUT    TYP  RCUT                                        
     0   .000     23  1.200                                                     
     0   .000     23  1.200                                                     
     1   .000     23  1.500                                                     
     1  2.500     23  1.500                                                     
     2   .000      7  1.500                                                     
  local pseudopotential read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8
 
 Optimization of the real space projectors (new method)

 maximal supplied QI-value         = 15.12
 optimisation between [QCUT,QGAM] = [ 11.34, 28.57] = [ 36.00,228.61] Ry 
 Optimized for a Real-space Cutoff    1.41 Angstroem

   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 
   2     11    11.338     3.643    0.65E-05    0.36E-05    0.31E-06
   2     11    11.338    46.462    0.12E-03    0.24E-03    0.79E-05
   0     12    11.338    13.796    0.17E-04    0.31E-05    0.19E-06
   0     12    11.338    57.669    0.53E-04    0.56E-04    0.54E-05
   1     12    11.338     7.440    0.21E-04    0.40E-05    0.38E-06
   1     12    11.338    10.255    0.89E-04    0.25E-04    0.14E-05
 Optimization of the real space projectors (new method)

 maximal supplied QI-value         = 25.13
 optimisation between [QCUT,QGAM] = [ 11.31, 28.40] = [ 35.82,225.87] Ry 
 Optimized for a Real-space Cutoff    0.93 Angstroem

   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 
   0      8    11.310     5.582    0.36E-04    0.13E-04    0.14E-07
   0      8    11.310    69.432    0.28E-03    0.21E-03    0.12E-06
   1      7    11.310     2.780    0.37E-04    0.49E-04    0.24E-07
   1      7    11.310     4.549    0.27E-03    0.38E-03    0.88E-07
 PAW_PBE Pt 05Jan2001                   :
 energy of atom  1       EATOM= -729.1171
 kinetic energy error for atom=    0.0039 (will be added to EATOM!!)
 PAW_PBE C 08Apr2002                    :
 energy of atom  2       EATOM= -147.1560
 kinetic energy error for atom=    0.0076 (will be added to EATOM!!)
 
 EXHCAR: internal setup
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 
 POSCAR: g55ptB                                  
  positions in direct lattice
  velocities in cartesian coordinates
 


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


 ion  position               nearest neighbor table
   1  0.433  0.567  0.612-  39 2.10  15 2.10
   2  0.000  1.000  0.497-  51 1.43  27 1.43  31 1.43
   3  1.000  0.200  0.497-  27 1.43  47 1.43  28 1.43
   4  1.000  0.400  0.498-  29 1.42  48 1.43  28 1.43
   5  1.000  0.600  0.498-  29 1.42  49 1.42  30 1.43
   6  0.000  0.800  0.497-  30 1.42  31 1.43  50 1.43
   7  0.200  1.000  0.497-  36 1.42  31 1.43  32 1.43
   8  0.200  0.200  0.498-  33 1.42  32 1.43  27 1.43
   9  0.199  0.400  0.501-  34 1.42  28 1.42  33 1.44
  10  0.199  0.600  0.501-  34 1.42  29 1.43  35 1.43
  11  0.200  0.800  0.499-  35 1.42  36 1.43  30 1.43
  12  0.400  0.000  0.498-  41 1.42  37 1.42  36 1.43
  13  0.400  0.200  0.499-  37 1.42  32 1.42  38 1.43
  14  0.399  0.398  0.505-  38 1.42  33 1.42  39 1.45
  15  0.399  0.601  0.514-  40 1.45  34 1.45  39 1.47   1 2.10
  16  0.400  0.801  0.501-  40 1.42  41 1.43  35 1.43
  17  0.600  0.000  0.498-  41 1.42  42 1.43  46 1.43
  18  0.600  0.200  0.498-  42 1.42  37 1.43  43 1.43
  19  0.600  0.400  0.501-  43 1.42  44 1.43  38 1.43
  20  0.602  0.601  0.505-  44 1.42  45 1.42  39 1.45
  21  0.600  0.801  0.501-  40 1.42  46 1.42  45 1.44
  22  0.800  0.000  0.497-  51 1.43  47 1.43  46 1.43
  23  0.800  0.200  0.497-  42 1.43  48 1.43  47 1.43
  24  0.800  0.400  0.498-  48 1.42  49 1.43  43 1.43
  25  0.800  0.600  0.499-  49 1.42  50 1.42  44 1.43
  26  0.800  0.800  0.498-  45 1.42  50 1.43  51 1.43
  27  0.067  0.133  0.497-   3 1.43   2 1.43   8 1.43
  28  0.066  0.333  0.498-   9 1.42   4 1.43   3 1.43
  29  0.066  0.533  0.499-   5 1.42   4 1.42  10 1.43
  30  0.067  0.733  0.498-   6 1.42   5 1.43  11 1.43
  31  0.067  0.933  0.497-   6 1.43   7 1.43   2 1.43
  32  0.267  0.133  0.498-  13 1.42   7 1.43   8 1.43
  33  0.267  0.333  0.501-  14 1.42   8 1.42   9 1.44
  34  0.264  0.532  0.505-  10 1.42   9 1.42  15 1.45
  35  0.267  0.733  0.501-  11 1.42  10 1.43  16 1.43
  36  0.267  0.933  0.498-   7 1.42  12 1.43  11 1.43
  37  0.467  0.133  0.498-  13 1.42  12 1.42  18 1.43
  38  0.466  0.333  0.501-  14 1.42  13 1.43  19 1.43
  39  0.468  0.532  0.514-  14 1.45  20 1.45  15 1.47   1 2.10
  40  0.468  0.736  0.505-  16 1.42  21 1.42  15 1.45
  41  0.467  0.934  0.499-  12 1.42  17 1.42  16 1.43
  42  0.667  0.134  0.497-  18 1.42  23 1.43  17 1.43
  43  0.667  0.333  0.499-  19 1.42  24 1.43  18 1.43
  44  0.667  0.534  0.501-  20 1.42  25 1.43  19 1.43
  45  0.667  0.733  0.501-  20 1.42  26 1.42  21 1.44
  46  0.667  0.934  0.498-  21 1.42  17 1.43  22 1.43
  47  0.867  0.133  0.497-   3 1.43  22 1.43  23 1.43
  48  0.866  0.333  0.497-  24 1.42  23 1.43   4 1.43
  49  0.867  0.533  0.498-  25 1.42   5 1.42  24 1.43
  50  0.867  0.733  0.498-  25 1.42   6 1.43  26 1.43
  51  0.867  0.933  0.497-  22 1.43   2 1.43  26 1.43
 
  LATTYP: Found a base centered orthorhombic cell.
 ALAT       =    12.3539557218
 B/A-ratio  =     1.7314959661
 C/A-ratio  =     1.6161265227
  
  Lattice vectors:
  
 A1 = (  12.3509878876,   0.0017176000,   0.0000000000)
 A2 = (  -6.1740131035,  10.6971236687,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,  19.9655555021)
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

Analysis of symmetry for initial positions (statically):

 Routine SETGRP: Setting up the symmetry group for a 
 base centered orthorhombic supercell.


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of  8 trial point group operations.


The static configuration has the point symmetry C_1h.
 The point group associated with its full space group is C_2v.

Analysis of symmetry for dynamics (positions and initial velocities):

 Subroutine DYNSYM returns: Found  4 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of  4 trial space group operations
 (whereof  2 operations were pure point group operations)
 and found also     1 'primitive' translations


The dynamic configuration has the point symmetry C_1h.
 The point group associated with its full space group is C_2v.

Analysis of constrained symmetry for selective dynamics:

 Subroutine DYNSYM returns: Found  4 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of  4 trial space group operations
 (whereof  2 operations were pure point group operations)
 and found also     1 'primitive' translations


The constrained configuration has the point symmetry C_1h.
 The point group associated with its full space group is C_2v.

Analysis of magnetic symmetry:

 Subroutine MAGSYM returns: Found  4 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of  4 trial space group operations
 (whereof  2 operations were pure point group operations)
 and found also     1 'primitive' translations


The magnetic configuration has the point symmetry C_1h.
 The point group associated with its full space group is C_2v.
 
 
 KPOINTS: K-Points                                

Automatic generation of k-mesh.
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found      9 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.200000  0.000000  0.000000      4.000000
  0.400000  0.000000  0.000000      4.000000
  0.200000  0.200000  0.000000      2.000000
  0.400000  0.200000  0.000000      4.000000
 -0.400000  0.200000  0.000000      4.000000
 -0.200000  0.200000  0.000000      2.000000
  0.400000  0.400000  0.000000      2.000000
 -0.400000  0.400000  0.000000      2.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.016192  0.009345  0.000000      4.000000
  0.032383  0.018691  0.000000      4.000000
  0.016189  0.028040  0.000000      2.000000
  0.032381  0.037386  0.000000      4.000000
 -0.032386  0.000004  0.000000      4.000000
 -0.016194  0.009350  0.000000      2.000000
  0.032378  0.056081  0.000000      2.000000
 -0.032389  0.018700  0.000000      2.000000
 
 TETIRR: Found     39 inequivalent tetrahedra from      150


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




 Dimension of arrays:
   k-Points           NKPTS =      9   number of bands    NBANDS=    157
   number of dos      NEDOS =    301   number of ions     NIONS =     51
   non local maximal  LDIM  =      6   non local SUM 2l+1 LMDIM =     18
   total plane-waves  NPLWV = ******
   max r-space proj   IRMAX =   5439   max aug-charges    IRDMAX=  12798
   dimension x,y,z NGX =    90 NGY =   90 NGZ =  150
   dimension x,y,z NGXF=   140 NGYF=  140 NGZF=  224
   support grid    NGXF=   140 NGYF=  140 NGZF=  224
   ions per type =               1  50
 NGX,Y,Z   is equivalent  to a cutoff of  12.11, 12.11, 12.49 a.u.
 NGXF,Y,Z  is equivalent  to a cutoff of  18.84, 18.84, 18.65 a.u.


 I would recommend the setting:
   dimension x,y,z NGX =    90 NGY =   90 NGZ =  146
 SYSTEM =  g55pt                                   
 POSCAR =  g55ptB                                  

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

 Electronic Relaxation 1
   ENCUT  =  500.0 eV  36.75 Ry    6.06 a.u.  22.52 22.52 36.40*2*pi/ulx,y,z
   ENINI  =  500.0     initial cutoff
   ENAUG  =  644.9 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  2; NELMDL=  0     # of ELM steps 
   EDIFF  = 0.1E-03   stopping-criterion for ELM
   LREAL  =      T    real-space projection
   LCOMPAT=      F    compatible to vasp.4.4
   LREAL_COMPAT= F    compatible to vasp.4.5.1-3
   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   =   -0.00040  -0.00040
 Ionic relaxation
   EDIFFG = -.1E-01   stopping-criterion for IOM
   NSW    =    200    number of steps for IOM
   NBLOCK =      1;   KBLOCK =    200    inner block; outer block 
   IBRION =      2    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      1    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      4    stress and relaxation
   IWAVPR =     11    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  =   0.50    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=  -0.349E-26a.u.
   NPACO  =    256;   APACO  = 16.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS = 195.08 12.01
  Ionic Valenz
   ZVAL   =  10.00  4.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00 -1.00
   NELECT =     210.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =  10.00;   EMAX   =-10.00  energy-range for DOS
   ISMEAR =    -5;   SIGMA  =   0.20  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     38    algorithm
   LDIAG  =      T    sub-space diagonalisation
   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

 Intra band minimization:
   WEIMIN = 0.0010     energy-eigenvalue tresh-hold
   EBREAK =  0.16E-06  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.10     timestep for ELM

  volume/ion in A,a.u.               =      51.73       349.07
  Fermi-wavevector in a.u.,eV,Ry     =   0.704238  6.747830  0.495952

 Second variation
   LSECVAR=     F    do a second variation
 
 Write flags
   LWAVE  =      T    write WAVECAR
   LCHARG =      T    write CHGCAR
   LVTOT  =      F    write LOCPOT, local potential
   LELF   =      F    write electronic localiz. function (ELF)
   LORBIT =     11    0 simple, 1 ext, 2 COOP (PROOUT)


 Dipole corrections
   IDIPOL =      0    1-x, 2-y, 3-z
   LDIPOL =      F    correct potential



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


 conjugate gradient relaxation of ions
   using selective dynamics as specified on POSCAR
 charge density will be updated during run
 spin polarized calculation
 Variant of blocked Davidson
 Davidson routine will perform the subspace rotation
 performe sub-space diagonalisation
    after iterative eigenvector-optimisation
 modified Broyden-mixing scheme, WC =      100.0
 initial mixing is a Kerker type mixing with AMIX =  0.4000 and BMIX =      1.0000
 Hartree-type preconditioning will be used
 using additional bands           52
 real space projection scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces 
   (improved forces if not selfconsistent)
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Fermi weights with tetrahedron method with Bloechl corrections


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


  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.350987888  0.001717600  0.000000000     0.080958685  0.046726578  0.000000000
    -6.174013103 10.697123669  0.000000000    -0.000012999  0.093475571  0.000000000
     0.000000000  0.000000000 19.965555502     0.000000000  0.000000000  0.050086260

  length of vectors
    12.350988007 12.350987515 19.965555502     0.093475568  0.093475572  0.050086260


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.348735212  0.007032636  0.000000000     0.080953371  0.046677069  0.000000000
    -6.168283810 10.697830314  0.000000000    -0.000053218  0.093446214  0.000000000
     0.000000000  0.000000000 19.962926049     0.000000000  0.000000000  0.050092857

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: K-Points                                
   0.00000000  0.00000000  0.00000000       0.040
   0.01619174  0.00934532  0.00000000       0.160
   0.03238347  0.01869063  0.00000000       0.160
   0.01618914  0.02804043  0.00000000       0.080
   0.03238087  0.03738575  0.00000000       0.160
  -0.03238607  0.00000448  0.00000000       0.160
  -0.01619434  0.00934980  0.00000000       0.080
   0.03237827  0.05608086  0.00000000       0.080
  -0.03238867  0.01869960  0.00000000       0.080
 
 k-points in reciprocal lattice and weights: K-Points                                
   0.00000000  0.00000000  0.00000000       0.040
   0.20000000  0.00000000  0.00000000       0.160
   0.40000000  0.00000000  0.00000000       0.160
   0.20000000  0.20000000  0.00000000       0.080
   0.40000000  0.20000000  0.00000000       0.160
  -0.40000000  0.20000000  0.00000000       0.160
  -0.20000000  0.20000000  0.00000000       0.080
   0.40000000  0.40000000  0.00000000       0.080
  -0.40000000  0.40000000  0.00000000       0.080
 
 position of ions in fractional coordinates (direct lattice) 
   0.43333334  0.56666669  0.61237702
   0.00003179  0.99996821  0.49650957
   0.99992231  0.19991194  0.49672303
   0.99980550  0.39997551  0.49803972
   0.99990109  0.59999818  0.49799581
   0.00020483  0.80000348  0.49749483
   0.19999654  0.99979517  0.49749483
   0.19993070  0.19981609  0.49801212
   0.19949516  0.39992221  0.50106712
   0.19933057  0.59981301  0.50147286
   0.20012449  0.79987552  0.49880505
   0.40000185  0.00009891  0.49799581
   0.39981627  0.19951217  0.49879530
   0.39911080  0.39764902  0.50536789
   0.39899442  0.60100561  0.51388742
   0.40018702  0.80066945  0.50147286
   0.60002452  0.00019450  0.49803972
   0.59995138  0.19997934  0.49808409
   0.60013451  0.39986552  0.50090383
   0.60235101  0.60088923  0.50536789
   0.60007782  0.80050485  0.50106712
   0.80008807  0.00007769  0.49672303
   0.79994670  0.20005332  0.49707503
   0.80002068  0.40004865  0.49808409
   0.80048785  0.60018376  0.49879530
   0.80018393  0.80006932  0.49801212
   0.06657861  0.13325565  0.49672303
   0.06648275  0.33326404  0.49801212
   0.06617884  0.53314962  0.49879530
   0.06664600  0.73328471  0.49808409
   0.06671999  0.93328002  0.49707503
   0.26664218  0.13313884  0.49803972
   0.26658889  0.33282850  0.50106712
   0.26431570  0.53244415  0.50536789
   0.26653219  0.73346784  0.50090383
   0.26671532  0.93335400  0.49808409
   0.46666482  0.13323443  0.49799581
   0.46647966  0.33266391  0.50147286
   0.46767225  0.53232778  0.51388742
   0.46755588  0.73568433  0.50536789
   0.46685041  0.93382117  0.49879530
   0.66667015  0.13353817  0.49749483
   0.66654220  0.33345783  0.49880505
   0.66733612  0.53352037  0.50147286
   0.66717153  0.73341114  0.50106712
   0.66673599  0.93351725  0.49801212
   0.86663488  0.13336513  0.49650957
   0.86646185  0.33332988  0.49749483
   0.86676558  0.53333521  0.49799581
   0.86686118  0.73335785  0.49803972
   0.86674436  0.93342140  0.49672303
 
 position of ions in cartesian coordinates  (Angst):
   1.85348722  6.06244798 12.22644744
  -6.17342411 10.69678361  9.91308941
  11.11576944  2.14020022  9.91735115
   9.87913157  4.28030471  9.94363969
   8.64536968  6.41997213  9.94276304
  -4.93670214  8.55773647  9.93276067
  -3.70259367 10.69527614  9.93276067
   1.23567452  2.13780078  9.94308871
  -0.00516261  4.27836001 10.00408349
  -1.24132395  6.41661632 10.01218431
  -2.46670676  8.55671111  9.95891992
   4.93980739  0.00174506  9.94276304
   3.70633512  2.13489307  9.95872531
   2.47432235  4.25438629 10.08995073
   1.21735877  6.42971663 10.26004772
  -0.00063862  8.56554745 10.01218431
   7.40969477  0.00311123  9.94363969
   6.17531720  2.14023415  9.94452562
   4.94347912  4.27844170 10.00082321
   3.72973200  6.42882102 10.08995073
   2.46922643  8.56413007 10.00408349
   9.88139848  0.00220525  9.91735115
   8.64500015  2.14136907  9.92437913
   7.41114012  4.28074399  9.94452562
   6.18127327  6.42161486  9.95872531
   4.94342358  8.55981480  9.94308871
  -0.00041058  1.42556656  9.91735115
  -1.23644887  3.56508084  9.94308871
  -2.47429875  5.70328110  9.95872531
  -3.70416542  7.84415165  9.94452562
  -4.93802535  9.98352641  9.92437913
   2.47129342  1.42466059  9.94363969
   1.23774856  3.56076557 10.00408349
  -0.02275719  5.69607494 10.08995073
  -1.23650413  7.84645395 10.00082321
  -2.46834211  9.98466133  9.94452562
   4.94118042  1.42602675  9.94276304
   3.70761324  3.55934820 10.01218431
   2.48961567  5.69517933 10.26004772
   1.23265227  7.87050936 10.08995073
   0.00063960  9.99000242  9.95872531
   7.40956857  1.42961935  9.93276067
   6.17368157  3.56818453  9.95891992
   4.94829857  5.70827964 10.01218431
   3.71213742  7.84653564 10.00408349
   2.47130038  9.98709470  9.94308871
   9.88039882  1.42811187  9.91308941
   8.64367676  3.56715917  9.93276067
   7.41259264  5.70664144  9.94276304
   6.17883094  7.84630853  9.94363969
   4.94219316  9.98641287  9.91735115
 


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


 k-point  1 :  0.00000.00000.0000  plane waves:  66969
 k-point  2 :  0.20000.00000.0000  plane waves:  67036
 k-point  3 :  0.40000.00000.0000  plane waves:  66963
 k-point  4 :  0.20000.20000.0000  plane waves:  66967
 k-point  5 :  0.40000.20000.0000  plane waves:  66934
 k-point  6 :  -.40000.20000.0000  plane waves:  66966
 k-point  7 :  -.20000.20000.0000  plane waves:  67033
 k-point  8 :  0.40000.40000.0000  plane waves:  66930
 k-point  9 :  -.40000.40000.0000  plane waves:  66963

 maximum number of plane-waves:  67036
 maximal index in each direction: 
   IXMAX= 22   IYMAX= 22   IZMAX= 36
   IXMIN=-22   IYMIN=-22   IZMIN=-36

 NGX is ok and might be reduce to  90
 NGY is ok and might be reduce to  90
 NGZ is ok and might be reduce to 146
 For storing wavefunctions 3028.27 MBYTES are necessary
 For predicting wavefunctions  762.77 MBYTES are necessary
Broyden mixing: mesh for mixing (old mesh)
   NGX = 45   NGY = 45   NGZ = 73
  (NGX  =140   NGY  =140   NGZ  =224)
 gives a total of 147825 points
 charge density for first step will be calculated from the start-wavefunctions


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


 Maximum index for non-local projection operator         5223
 Maximum index for augmentation-charges        12226 (set IRDMAX)


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


 initial charge from wavefunction
 First call to EWALD:  gamma=   0.128
 Maximum number of real-space cells 3x 3x 2
 Maximum number of reciprocal cells 3x 3x 4

    FEWALD:  VPU time    0.02: CPU time    0.01


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


    POTLOK:  VPU time    9.00: CPU time    9.00
    SETDIJ:  VPU time    0.32: CPU time    0.33
    EDDAV :  VPU time 1842.01: CPU time  947.82
 BZINTS: Fermi energy: -2.896216;210.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.47: CPU time   57.79
    MIXING:  VPU time    0.14: CPU time    0.15
    ------------------------------------------
      LOOP:  VPU time 1966.01: CPU time 1015.12

 eigenvalue-minimisations  :  6138
 total energy-change (2. order) :-0.4619928E+03  (-0.3803105E+02)
 number of electron  210.0000059 magnetization    0.0000000
 augmentation part     8.0420906 magnetization   -0.0000008

 Broyden mixing:
  rms(total) = 0.45897E-01    rms(broyden)= 0.45878E-01
  rms(prec ) = 0.50227E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        92.65872319
  Ewald energy   TEWEN  =     33882.93633798
  -1/2 Hartree   DENC   =    -40804.18789701
  -V(xc)+E(xc)   XCENC  =       721.08952638
  PAW double counting   =      4050.19179273    -4087.19865590
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2404.01691132
  atomic energy  EATOM  =      8086.53425045
  ---------------------------------------------------
  free energy    TOTEN  =      -461.99283350 eV

  energy without entropy =     -461.99283350  energy(sigma->0) =     -461.99283350


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




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


    POTLOK:  VPU time    8.93: CPU time    8.92
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 2003.55: CPU time 1032.84
 BZINTS: Fermi energy: -2.900041;210.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  113.55: CPU time   57.59
    MIXING:  VPU time    0.16: CPU time    0.16
    ------------------------------------------
      LOOP:  VPU time 2126.60: CPU time 1099.87

 eigenvalue-minimisations  :  6900
 total energy-change (2. order) :-0.1150320E+01  (-0.1153357E+01)
 number of electron  210.0000059 magnetization    0.0000000
 augmentation part     8.0612478 magnetization    0.0000012

 Broyden mixing:
  rms(total) = 0.26301E-01    rms(broyden)= 0.26271E-01
  rms(prec ) = 0.28817E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7003
  0.7003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        92.65872319
  Ewald energy   TEWEN  =     33882.93633798
  -1/2 Hartree   DENC   =    -40802.34296093
  -V(xc)+E(xc)   XCENC  =       720.98162074
  PAW double counting   =      4052.74361782    -4089.45703798
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2407.19770496
  atomic energy  EATOM  =      8086.53425045
  ---------------------------------------------------
  free energy    TOTEN  =      -463.14315368 eV

  energy without entropy =     -463.14315368  energy(sigma->0) =     -463.14315368


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




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


    POTLOK:  VPU time    8.85: CPU time    8.86
    SETDIJ:  VPU time    0.33: CPU time    0.32
    EDDAV :  VPU time 2348.03: CPU time 1214.05
 BZINTS: Fermi energy: -2.910753;210.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.04: CPU time   57.66
    MIXING:  VPU time    0.17: CPU time    0.17
    ------------------------------------------
      LOOP:  VPU time 2471.48: CPU time 1281.10

 eigenvalue-minimisations  :  8400
 total energy-change (2. order) :-0.3661091E-01  (-0.3814173E-01)
 number of electron  210.0000059 magnetization    0.0000000
 augmentation part     8.0712526 magnetization    0.0000002

 Broyden mixing:
  rms(total) = 0.17707E-01    rms(broyden)= 0.17704E-01
  rms(prec ) = 0.18871E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0520
  1.0520  1.0520

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        92.65872319
  Ewald energy   TEWEN  =     33882.93633798
  -1/2 Hartree   DENC   =    -40803.83523774
  -V(xc)+E(xc)   XCENC  =       721.04096829
  PAW double counting   =      4057.37630930    -4094.04392386
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2405.84719220
  atomic energy  EATOM  =      8086.53425045
  ---------------------------------------------------
  free energy    TOTEN  =      -463.17976459 eV

  energy without entropy =     -463.17976459  energy(sigma->0) =     -463.17976459


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




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


    POTLOK:  VPU time    8.85: CPU time    8.84
    SETDIJ:  VPU time    0.31: CPU time    0.31
    EDDAV :  VPU time 2032.10: CPU time 1045.52
 BZINTS: Fermi energy: -2.910505;210.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  114.39: CPU time   57.65
    MIXING:  VPU time    0.18: CPU time    0.18
    ------------------------------------------
      LOOP:  VPU time 2155.89: CPU time 1112.54

 eigenvalue-minimisations  :  7030
 total energy-change (2. order) :-0.1604646E-03  (-0.7930629E-03)
 number of electron  210.0000059 magnetization    0.0000000
 augmentation part     8.0677388 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.92553E-02    rms(broyden)= 0.92551E-02
  rms(prec ) = 0.99131E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3171
  2.1774  0.9808  0.7931

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        92.65872319
  Ewald energy   TEWEN  =     33882.93633798
  -1/2 Hartree   DENC   =    -40805.53703799
  -V(xc)+E(xc)   XCENC  =       721.10667267
  PAW double counting   =      4062.79143186    -4099.40995331
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2404.26034990
  atomic energy  EATOM  =      8086.53425045
  ---------------------------------------------------
  free energy    TOTEN  =      -463.17992506 eV

  energy without entropy =     -463.17992506  energy(sigma->0) =     -463.17992506


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




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


    POTLOK:  VPU time    8.88: CPU time    8.87
    SETDIJ:  VPU time    0.32: CPU time    0.32
    EDDAV :  VPU time 2046.71: CPU time 1052.52
 BZINTS: Fermi energy: -2.904424;210.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time  116.39: CPU time   58.72
    MIXING:  VPU time    0.20: CPU time    0.20
    ------------------------------------------
      LOOP:  VPU time 2172.56: CPU time 1120.66

 eigenvalue-minimisations  :  7030
 total energy-change (2. order) : 0.1632574E-03  (-0.9392679E-04)
 number of electron  210.0000059 magnetization    0.0000000
 augmentation part     8.0679344 magnetization   -0.0000002

 Broyden mixing:
  rms(total) = 0.17716E-02    rms(broyden)= 0.17698E-02
  rms(prec ) = 0.20927E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2714
  2.3437  1.0104  1.0104  0.7211

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        92.65872319
  Ewald energy   TEWEN  =     33882.93633798
  -1/2 Hartree   DENC   =    -40807.30052462
  -V(xc)+E(xc)   XCENC  =       721.16875288
  PAW double counting   =      4068.25626367    -4104.81519982
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2402.61836552
  atomic energy  EATOM  =      8086.53425045
  ---------------------------------------------------
  free energy    TOTEN  =      -463.17976180 eV

  energy without entropy =     -463.17976180  energy(sigma->0) =     -463.17976180


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




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


    POTLOK:  VPU time    9.01: CPU time    9.01
    SETDIJ:  VPU time    0.33: CPU time    0.33
    EDDAV :  VPU time 1509.79: CPU time  777.83
 BZINTS: Fermi energy: -2.867110;210.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1519.19: CPU time  787.20

 eigenvalue-minimisations  :  4672
 total energy-change (2. order) :-0.1394559E-04  (-0.4588279E-05)
 number of electron  210.0000059 magnetization    0.0000000
 augmentation part     8.0679344 magnetization   -0.0000002

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        92.65872319
  Ewald energy   TEWEN  =     33882.93633798
  -1/2 Hartree   DENC   =    -40807.47429709
  -V(xc)+E(xc)   XCENC  =       721.17013694
  PAW double counting   =      4068.63200130    -4105.17920034
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2402.45772817
  atomic energy  EATOM  =      8086.53425045
  ---------------------------------------------------
  free energy    TOTEN  =      -463.17977574 eV

  energy without entropy =     -463.17977574  energy(sigma->0) =     -463.17977574


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.6991
  (the norm of the test charge is              1.0000)
       1 -57.8815       2 -58.0689       3 -58.0608       4 -58.0657       5 -58.0619
       6 -58.0648       7 -58.0648       8 -58.0684       9 -58.0987      10 -58.0711
      11 -58.0744      12 -58.0619      13 -58.0683      14 -58.2025      15 -58.6730
      16 -58.0711      17 -58.0657      18 -58.0643      19 -58.0700      20 -58.2025
      21 -58.0988      22 -58.0608      23 -58.0625      24 -58.0643      25 -58.0683
      26 -58.0684      27 -58.0607      28 -58.0683      29 -58.0682      30 -58.0643
      31 -58.0624      32 -58.0656      33 -58.0987      34 -58.2025      35 -58.0699
      36 -58.0642      37 -58.0618      38 -58.0710      39 -58.6730      40 -58.2025
      41 -58.0682      42 -58.0647      43 -58.0743      44 -58.0710      45 -58.0987
      46 -58.0683      47 -58.0688      48 -58.0647      49 -58.0618      50 -58.0657
      51 -58.0607
 
 
 
 E-fermi :  -2.8671     XC(G=0):  -2.3345     alpha+bet : -1.9785
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.1468      1.00000
      2     -21.3053      1.00000
      3     -21.2038      1.00000
      4     -21.1915      1.00000
      5     -21.1905      1.00000
      6     -21.1708      1.00000
      7     -21.1700      1.00000
      8     -19.4497      1.00000
      9     -19.3698      1.00000
     10     -19.3671      1.00000
     11     -19.3580      1.00000
     12     -19.3378      1.00000
     13     -19.3355      1.00000
     14     -18.5441      1.00000
     15     -18.4812      1.00000
     16     -18.4773      1.00000
     17     -18.4500      1.00000
     18     -18.4480      1.00000
     19     -18.4372      1.00000
     20     -16.4119      1.00000
     21     -16.3280      1.00000
     22     -16.3212      1.00000
     23     -16.3153      1.00000
     24     -16.3004      1.00000
     25     -16.2979      1.00000
     26     -15.3838      1.00000
     27     -15.3372      1.00000
     28     -15.3041      1.00000
     29     -15.3003      1.00000
     30     -15.2966      1.00000
     31     -15.2836      1.00000
     32     -14.0345      1.00000
     33     -13.9976      1.00000
     34     -13.9725      1.00000
     35     -13.9683      1.00000
     36     -13.9556      1.00000
     37     -13.9442      1.00000
     38     -11.7570      1.00000
     39     -11.6422      1.00000
     40     -11.6038      1.00000
     41     -11.5936      1.00000
     42     -11.5904      1.00000
     43     -11.5866      1.00000
     44     -11.5032      1.00000
     45     -11.5031      1.00000
     46     -11.4829      1.00000
     47     -11.4633      1.00000
     48     -11.4590      1.00000
     49     -11.4572      1.00000
     50     -10.4121      1.00000
     51     -10.1537      1.00000
     52     -10.1328      1.00000
     53     -10.1133      1.00000
     54     -10.1092      1.00000
     55     -10.0926      1.00000
     56     -10.0649      1.00000
     57      -9.5603      1.00000
     58      -9.2122      1.00000
     59      -9.1678      1.00000
     60      -9.1276      1.00000
     61      -9.1082      1.00000
     62      -9.1068      1.00000
     63      -8.9307      1.00000
     64      -8.8550      1.00000
     65      -8.8532      1.00000
     66      -8.8410      1.00000
     67      -8.8333      1.00000
     68      -8.8079      1.00000
     69      -8.8056      1.00000
     70      -8.8023      1.00000
     71      -8.7989      1.00000
     72      -8.7821      1.00000
     73      -8.7609      1.00000
     74      -8.7578      1.00000
     75      -7.5302      1.00000
     76      -7.3243      1.00000
     77      -7.2641      1.00000
     78      -7.2292      1.00000
     79      -7.1801      1.00000
     80      -7.1753      1.00000
     81      -7.1518      1.00000
     82      -7.1498      1.00000
     83      -6.9987      1.00000
     84      -6.9918      1.00000
     85      -6.9908      1.00000
     86      -6.9803      1.00000
     87      -6.4135      1.00000
     88      -6.3792      1.00000
     89      -6.1665      1.00000
     90      -6.1342      1.00000
     91      -6.1005      1.00000
     92      -6.0971      1.00000
     93      -5.7267      1.00000
     94      -5.6792      1.00000
     95      -5.0833      1.00000
     96      -4.7034      1.00000
     97      -4.3203      1.00000
     98      -4.2654      1.00000
     99      -4.1406      1.00000
    100      -4.1339      1.00000
    101      -4.0559      1.00000
    102      -3.9298      1.00000
    103      -3.5986      1.00000
    104      -3.5108      1.00000
    105      -3.4926      1.00000
    106      -2.3391      0.00000
    107      -1.3533      0.00000
    108      -1.3283      0.00000
    109      -1.3217      0.00000
    110      -1.3203      0.00000
    111      -1.2436      0.00000
    112      -1.2037      0.00000
    113       0.3365      0.00000
    114       0.4233      0.00000
    115       0.4705      0.00000
    116       0.5015      0.00000
    117       0.5204      0.00000
    118       0.5208      0.00000
    119       0.7417      0.00000
    120       1.3397      0.00000
    121       1.3679      0.00000
    122       1.3810      0.00000
    123       1.6505      0.00000
    124       1.8698      0.00000
    125       1.8847      0.00000
    126       1.8974      0.00000
    127       2.0746      0.00000
    128       2.1122      0.00000
    129       2.2202      0.00000
    130       2.2248      0.00000
    131       2.2297      0.00000
    132       2.2381      0.00000
    133       2.2441      0.00000
    134       2.3589      0.00000
    135       2.4335      0.00000
    136       2.4759      0.00000
    137       2.6040      0.00000
    138       2.6317      0.00000
    139       2.6673      0.00000
    140       2.8284      0.00000
    141       2.9209      0.00000
    142       2.9274      0.00000
    143       3.0056      0.00000
    144       3.0105      0.00000
    145       3.0263      0.00000
    146       3.0316      0.00000
    147       3.4185      0.00000
    148       3.4517      0.00000
    149       3.5874      0.00000
    150       3.8813      0.00000
    151       3.8935      0.00000
    152       3.9156      0.00000
    153       3.9242      0.00000
    154       3.9663      0.00000
    155       4.0194      0.00000
    156       4.0655      0.00000
    157       4.2038      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.1097      1.00000
      2     -21.5497      1.00000
      3     -21.3700      1.00000
      4     -21.3375      1.00000
      5     -20.9996      1.00000
      6     -20.9642      1.00000
      7     -20.7905      1.00000
      8     -19.8976      1.00000
      9     -19.8592      1.00000
     10     -19.3492      1.00000
     11     -19.3178      1.00000
     12     -19.1525      1.00000
     13     -18.8285      1.00000
     14     -18.7920      1.00000
     15     -18.7806      1.00000
     16     -18.7674      1.00000
     17     -18.1040      1.00000
     18     -18.0774      1.00000
     19     -17.7572      1.00000
     20     -16.8183      1.00000
     21     -16.7623      1.00000
     22     -16.6920      1.00000
     23     -16.6721      1.00000
     24     -16.2155      1.00000
     25     -16.1908      1.00000
     26     -15.3663      1.00000
     27     -15.3335      1.00000
     28     -15.0131      1.00000
     29     -14.9709      1.00000
     30     -14.9118      1.00000
     31     -14.8337      1.00000
     32     -14.8046      1.00000
     33     -14.4457      1.00000
     34     -14.4270      1.00000
     35     -13.4830      1.00000
     36     -13.4573      1.00000
     37     -12.9791      1.00000
     38     -12.3756      1.00000
     39     -12.3207      1.00000
     40     -12.1960      1.00000
     41     -12.1775      1.00000
     42     -11.8859      1.00000
     43     -11.8466      1.00000
     44     -11.4753      1.00000
     45     -11.4192      1.00000
     46     -11.0095      1.00000
     47     -10.9665      1.00000
     48     -10.7827      1.00000
     49     -10.7462      1.00000
     50     -10.6849      1.00000
     51     -10.6388      1.00000
     52     -10.3084      1.00000
     53      -9.9019      1.00000
     54      -9.9003      1.00000
     55      -9.8539      1.00000
     56      -9.6935      1.00000
     57      -9.4806      1.00000
     58      -9.4446      1.00000
     59      -9.3853      1.00000
     60      -9.3575      1.00000
     61      -9.3188      1.00000
     62      -9.2688      1.00000
     63      -9.0642      1.00000
     64      -9.0483      1.00000
     65      -9.0040      1.00000
     66      -8.9539      1.00000
     67      -8.8893      1.00000
     68      -8.8545      1.00000
     69      -8.8424      1.00000
     70      -8.6841      1.00000
     71      -8.6170      1.00000
     72      -8.3747      1.00000
     73      -8.3422      1.00000
     74      -7.8595      1.00000
     75      -7.8183      1.00000
     76      -7.6418      1.00000
     77      -7.6063      1.00000
     78      -7.5063      1.00000
     79      -7.4987      1.00000
     80      -7.1544      1.00000
     81      -7.1332      1.00000
     82      -7.0963      1.00000
     83      -7.0536      1.00000
     84      -6.8623      1.00000
     85      -6.7701      1.00000
     86      -6.6338      1.00000
     87      -6.5409      1.00000
     88      -6.4300      1.00000
     89      -6.3718      1.00000
     90      -5.9185      1.00000
     91      -5.8956      1.00000
     92      -5.8748      1.00000
     93      -5.7582      1.00000
     94      -5.5469      1.00000
     95      -5.1412      1.00000
     96      -4.8170      1.00000
     97      -4.5279      1.00000
     98      -4.4371      1.00000
     99      -4.2583      1.00000
    100      -4.1757      1.00000
    101      -4.0562      1.00000
    102      -3.8910      1.00000
    103      -3.5682      1.00000
    104      -3.4935      1.00000
    105      -3.4652      1.00000
    106      -2.3546      0.00000
    107      -1.4951      0.00000
    108      -1.4307      0.00000
    109      -1.0687      0.00000
    110      -1.0528      0.00000
    111      -1.0207      0.00000
    112      -0.9877      0.00000
    113      -0.3660      0.00000
    114       0.0085      0.00000
    115       0.0350      0.00000
    116       0.7552      0.00000
    117       0.8541      0.00000
    118       0.9451      0.00000
    119       1.0971      0.00000
    120       1.2840      0.00000
    121       1.3415      0.00000
    122       1.4316      0.00000
    123       1.4618      0.00000
    124       1.5299      0.00000
    125       1.6947      0.00000
    126       1.7488      0.00000
    127       1.9387      0.00000
    128       1.9563      0.00000
    129       2.0764      0.00000
    130       2.1508      0.00000
    131       2.3055      0.00000
    132       2.3106      0.00000
    133       2.3348      0.00000
    134       2.4238      0.00000
    135       2.5568      0.00000
    136       2.7137      0.00000
    137       2.7565      0.00000
    138       2.7666      0.00000
    139       2.8083      0.00000
    140       2.9429      0.00000
    141       2.9709      0.00000
    142       3.0512      0.00000
    143       3.0973      0.00000
    144       3.1170      0.00000
    145       3.2700      0.00000
    146       3.2785      0.00000
    147       3.4142      0.00000
    148       3.4646      0.00000
    149       3.5405      0.00000
    150       3.6111      0.00000
    151       3.6434      0.00000
    152       3.7657      0.00000
    153       3.9147      0.00000
    154       3.9878      0.00000
    155       4.0492      0.00000
    156       4.0577      0.00000
    157       4.1178      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0004      1.00000
      2     -21.8039      1.00000
      3     -21.4458      1.00000
      4     -21.4121      1.00000
      5     -20.7063      1.00000
      6     -20.6679      1.00000
      7     -20.3445      1.00000
      8     -20.3059      1.00000
      9     -20.2949      1.00000
     10     -19.7649      1.00000
     11     -19.2452      1.00000
     12     -19.2106      1.00000
     13     -19.0471      1.00000
     14     -19.0263      1.00000
     15     -18.1861      1.00000
     16     -18.1426      1.00000
     17     -17.6716      1.00000
     18     -17.6393      1.00000
     19     -17.4977      1.00000
     20     -17.4584      1.00000
     21     -17.1832      1.00000
     22     -17.1575      1.00000
     23     -17.0823      1.00000
     24     -16.2103      1.00000
     25     -16.1878      1.00000
     26     -15.6937      1.00000
     27     -15.1660      1.00000
     28     -15.1362      1.00000
     29     -14.8482      1.00000
     30     -14.8220      1.00000
     31     -14.6163      1.00000
     32     -14.5812      1.00000
     33     -14.0309      1.00000
     34     -13.9930      1.00000
     35     -13.1887      1.00000
     36     -13.1406      1.00000
     37     -12.9381      1.00000
     38     -12.9090      1.00000
     39     -12.7142      1.00000
     40     -12.6991      1.00000
     41     -12.3781      1.00000
     42     -12.3476      1.00000
     43     -11.9469      1.00000
     44     -11.3431      1.00000
     45     -11.2757      1.00000
     46     -11.0742      1.00000
     47     -11.0226      1.00000
     48     -10.8967      1.00000
     49     -10.4572      1.00000
     50     -10.4061      1.00000
     51     -10.2293      1.00000
     52     -10.0627      1.00000
     53     -10.0533      1.00000
     54      -9.9356      1.00000
     55      -9.8589      1.00000
     56      -9.8506      1.00000
     57      -9.5574      1.00000
     58      -9.5197      1.00000
     59      -9.4717      1.00000
     60      -9.4419      1.00000
     61      -9.4251      1.00000
     62      -9.3895      1.00000
     63      -9.1093      1.00000
     64      -9.0943      1.00000
     65      -9.0602      1.00000
     66      -8.7984      1.00000
     67      -8.7067      1.00000
     68      -8.6214      1.00000
     69      -8.5484      1.00000
     70      -8.3539      1.00000
     71      -8.2737      1.00000
     72      -8.1434      1.00000
     73      -8.1284      1.00000
     74      -8.0850      1.00000
     75      -8.0264      1.00000
     76      -8.0054      1.00000
     77      -7.9982      1.00000
     78      -7.9746      1.00000
     79      -7.5442      1.00000
     80      -7.1473      1.00000
     81      -7.1108      1.00000
     82      -7.0942      1.00000
     83      -7.0019      1.00000
     84      -6.9663      1.00000
     85      -6.7335      1.00000
     86      -6.7273      1.00000
     87      -6.3821      1.00000
     88      -6.3150      1.00000
     89      -6.0560      1.00000
     90      -5.9952      1.00000
     91      -5.8170      1.00000
     92      -5.5992      1.00000
     93      -5.4707      1.00000
     94      -5.2986      1.00000
     95      -5.1358      1.00000
     96      -5.0682      1.00000
     97      -4.9734      1.00000
     98      -4.9702      1.00000
     99      -4.3839      1.00000
    100      -4.1421      1.00000
    101      -4.0917      1.00000
    102      -3.8396      1.00000
    103      -3.6102      1.00000
    104      -3.4159      1.00000
    105      -3.3908      1.00000
    106      -2.3689      0.00000
    107      -1.5906      0.00000
    108      -1.4961      0.00000
    109      -0.8817      0.00000
    110      -0.7594      0.00000
    111      -0.7445      0.00000
    112      -0.3973      0.00000
    113      -0.3805      0.00000
    114      -0.3643      0.00000
    115      -0.3471      0.00000
    116       0.4066      0.00000
    117       0.4737      0.00000
    118       0.8156      0.00000
    119       1.1091      0.00000
    120       1.1361      0.00000
    121       1.3737      0.00000
    122       1.4780      0.00000
    123       1.5135      0.00000
    124       1.6533      0.00000
    125       1.7802      0.00000
    126       1.8073      0.00000
    127       1.8409      0.00000
    128       1.9212      0.00000
    129       2.1035      0.00000
    130       2.1243      0.00000
    131       2.1669      0.00000
    132       2.4362      0.00000
    133       2.4841      0.00000
    134       2.5934      0.00000
    135       2.6559      0.00000
    136       2.6941      0.00000
    137       2.7422      0.00000
    138       2.8861      0.00000
    139       2.9448      0.00000
    140       3.0162      0.00000
    141       3.1159      0.00000
    142       3.2143      0.00000
    143       3.2309      0.00000
    144       3.4186      0.00000
    145       3.4293      0.00000
    146       3.4464      0.00000
    147       3.5111      0.00000
    148       3.5853      0.00000
    149       3.6622      0.00000
    150       3.6896      0.00000
    151       3.7158      0.00000
    152       3.7815      0.00000
    153       3.8419      0.00000
    154       3.9100      0.00000
    155       3.9678      0.00000
    156       3.9748      0.00000
    157       4.1440      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0362      1.00000
      2     -21.6757      1.00000
      3     -21.6339      1.00000
      4     -21.1041      1.00000
      5     -21.0839      1.00000
      6     -20.5579      1.00000
      7     -20.5164      1.00000
      8     -20.3535      1.00000
      9     -19.8037      1.00000
     10     -19.8029      1.00000
     11     -19.4479      1.00000
     12     -19.4282      1.00000
     13     -18.7257      1.00000
     14     -18.7241      1.00000
     15     -18.3724      1.00000
     16     -18.3612      1.00000
     17     -18.1949      1.00000
     18     -17.4255      1.00000
     19     -17.3642      1.00000
     20     -17.3488      1.00000
     21     -17.3271      1.00000
     22     -16.8570      1.00000
     23     -16.8431      1.00000
     24     -16.6944      1.00000
     25     -15.7303      1.00000
     26     -15.6800      1.00000
     27     -15.3230      1.00000
     28     -15.3092      1.00000
     29     -15.0471      1.00000
     30     -14.5990      1.00000
     31     -14.5667      1.00000
     32     -14.3220      1.00000
     33     -14.2858      1.00000
     34     -13.9071      1.00000
     35     -13.9047      1.00000
     36     -12.8813      1.00000
     37     -12.8249      1.00000
     38     -12.7889      1.00000
     39     -12.7660      1.00000
     40     -12.4549      1.00000
     41     -12.4517      1.00000
     42     -12.0689      1.00000
     43     -12.0518      1.00000
     44     -11.4262      1.00000
     45     -11.3792      1.00000
     46     -11.3126      1.00000
     47     -10.7162      1.00000
     48     -10.6639      1.00000
     49     -10.4035      1.00000
     50     -10.3769      1.00000
     51     -10.2489      1.00000
     52     -10.2426      1.00000
     53     -10.1885      1.00000
     54     -10.1815      1.00000
     55     -10.0938      1.00000
     56      -9.8155      1.00000
     57      -9.6523      1.00000
     58      -9.3576      1.00000
     59      -9.2993      1.00000
     60      -9.2625      1.00000
     61      -9.1537      1.00000
     62      -9.1371      1.00000
     63      -9.1160      1.00000
     64      -9.0741      1.00000
     65      -9.0393      1.00000
     66      -8.9369      1.00000
     67      -8.9020      1.00000
     68      -8.8554      1.00000
     69      -8.6115      1.00000
     70      -8.5999      1.00000
     71      -8.4778      1.00000
     72      -8.3521      1.00000
     73      -8.1986      1.00000
     74      -7.9603      1.00000
     75      -7.9199      1.00000
     76      -7.6816      1.00000
     77      -7.6097      1.00000
     78      -7.5731      1.00000
     79      -7.5720      1.00000
     80      -7.4612      1.00000
     81      -7.4482      1.00000
     82      -7.2084      1.00000
     83      -7.1484      1.00000
     84      -6.6849      1.00000
     85      -6.6582      1.00000
     86      -6.5640      1.00000
     87      -6.4290      1.00000
     88      -6.1899      1.00000
     89      -6.1181      1.00000
     90      -6.0625      1.00000
     91      -5.9705      1.00000
     92      -5.8014      1.00000
     93      -5.4236      1.00000
     94      -5.2417      1.00000
     95      -5.2056      1.00000
     96      -5.1178      1.00000
     97      -4.9742      1.00000
     98      -4.5205      1.00000
     99      -4.4634      1.00000
    100      -4.1342      1.00000
    101      -4.0944      1.00000
    102      -3.9729      1.00000
    103      -3.6003      1.00000
    104      -3.5460      1.00000
    105      -3.1022      1.00000
    106      -2.4597      0.00000
    107      -1.8305      0.00000
    108      -1.0240      0.00000
    109      -0.9657      0.00000
    110      -0.9341      0.00000
    111      -0.6842      0.00000
    112      -0.6808      0.00000
    113      -0.5473      0.00000
    114      -0.5466      0.00000
    115       0.4263      0.00000
    116       0.4358      0.00000
    117       0.5291      0.00000
    118       0.7866      0.00000
    119       1.0085      0.00000
    120       1.0832      0.00000
    121       1.2420      0.00000
    122       1.2732      0.00000
    123       1.6018      0.00000
    124       1.6490      0.00000
    125       1.6862      0.00000
    126       1.8198      0.00000
    127       2.0092      0.00000
    128       2.0341      0.00000
    129       2.0520      0.00000
    130       2.2308      0.00000
    131       2.2713      0.00000
    132       2.3701      0.00000
    133       2.5043      0.00000
    134       2.5552      0.00000
    135       2.6650      0.00000
    136       2.7540      0.00000
    137       2.7941      0.00000
    138       2.8442      0.00000
    139       2.8481      0.00000
    140       3.0753      0.00000
    141       3.1044      0.00000
    142       3.1392      0.00000
    143       3.1650      0.00000
    144       3.2292      0.00000
    145       3.2848      0.00000
    146       3.3885      0.00000
    147       3.4296      0.00000
    148       3.5422      0.00000
    149       3.5798      0.00000
    150       3.6967      0.00000
    151       3.7422      0.00000
    152       3.8294      0.00000
    153       3.9214      0.00000
    154       3.9413      0.00000
    155       3.9660      0.00000
    156       3.9815      0.00000
    157       4.1091      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9166      1.00000
      2     -21.8523      1.00000
      3     -21.6879      1.00000
      4     -21.1321      1.00000
      5     -20.7805      1.00000
      6     -20.7394      1.00000
      7     -20.2319      1.00000
      8     -20.1865      1.00000
      9     -20.0339      1.00000
     10     -20.0025      1.00000
     11     -19.6821      1.00000
     12     -19.6284      1.00000
     13     -18.6110      1.00000
     14     -18.5512      1.00000
     15     -18.0977      1.00000
     16     -18.0319      1.00000
     17     -17.8958      1.00000
     18     -17.8648      1.00000
     19     -17.5690      1.00000
     20     -17.5175      1.00000
     21     -17.0034      1.00000
     22     -16.9693      1.00000
     23     -16.9102      1.00000
     24     -16.8676      1.00000
     25     -15.8332      1.00000
     26     -15.6361      1.00000
     27     -15.5979      1.00000
     28     -15.5657      1.00000
     29     -14.9879      1.00000
     30     -14.3079      1.00000
     31     -14.2602      1.00000
     32     -14.0321      1.00000
     33     -13.7068      1.00000
     34     -13.6947      1.00000
     35     -13.5702      1.00000
     36     -13.5406      1.00000
     37     -13.3665      1.00000
     38     -13.3056      1.00000
     39     -13.0970      1.00000
     40     -12.3602      1.00000
     41     -11.9573      1.00000
     42     -11.8729      1.00000
     43     -11.8155      1.00000
     44     -11.7592      1.00000
     45     -11.4337      1.00000
     46     -11.3974      1.00000
     47     -10.9138      1.00000
     48     -10.8588      1.00000
     49     -10.5588      1.00000
     50     -10.4748      1.00000
     51     -10.1880      1.00000
     52      -9.9664      1.00000
     53      -9.9443      1.00000
     54      -9.9051      1.00000
     55      -9.7639      1.00000
     56      -9.7614      1.00000
     57      -9.7165      1.00000
     58      -9.5652      1.00000
     59      -9.5396      1.00000
     60      -9.5158      1.00000
     61      -9.5007      1.00000
     62      -9.2085      1.00000
     63      -9.1152      1.00000
     64      -8.8619      1.00000
     65      -8.8169      1.00000
     66      -8.7792      1.00000
     67      -8.6717      1.00000
     68      -8.6111      1.00000
     69      -8.4746      1.00000
     70      -8.4409      1.00000
     71      -8.3342      1.00000
     72      -8.2846      1.00000
     73      -8.2362      1.00000
     74      -8.2039      1.00000
     75      -8.1184      1.00000
     76      -7.9773      1.00000
     77      -7.8444      1.00000
     78      -7.7720      1.00000
     79      -7.6548      1.00000
     80      -7.5144      1.00000
     81      -7.3650      1.00000
     82      -7.2818      1.00000
     83      -6.7774      1.00000
     84      -6.6831      1.00000
     85      -6.6275      1.00000
     86      -6.5502      1.00000
     87      -6.3241      1.00000
     88      -6.2393      1.00000
     89      -6.1704      1.00000
     90      -5.9989      1.00000
     91      -5.7474      1.00000
     92      -5.5801      1.00000
     93      -5.5418      1.00000
     94      -5.3492      1.00000
     95      -5.1864      1.00000
     96      -5.0089      1.00000
     97      -4.9767      1.00000
     98      -4.9705      1.00000
     99      -4.5572      1.00000
    100      -4.1358      1.00000
    101      -4.0867      1.00000
    102      -3.9649      1.00000
    103      -3.6218      1.00000
    104      -3.5743      1.00000
    105      -2.9305      1.00000
    106      -2.4587      0.00000
    107      -2.0203      0.00000
    108      -0.9640      0.00000
    109      -0.9342      0.00000
    110      -0.9079      0.00000
    111      -0.8830      0.00000
    112      -0.2477      0.00000
    113      -0.2310      0.00000
    114      -0.0737      0.00000
    115      -0.0652      0.00000
    116       0.1929      0.00000
    117       0.2585      0.00000
    118       0.7363      0.00000
    119       0.8287      0.00000
    120       0.8848      0.00000
    121       1.0433      0.00000
    122       1.2896      0.00000
    123       1.5539      0.00000
    124       1.6555      0.00000
    125       1.7629      0.00000
    126       1.9471      0.00000
    127       2.0563      0.00000
    128       2.0740      0.00000
    129       2.1530      0.00000
    130       2.2938      0.00000
    131       2.3375      0.00000
    132       2.4832      0.00000
    133       2.5130      0.00000
    134       2.7035      0.00000
    135       2.7325      0.00000
    136       2.9480      0.00000
    137       2.9539      0.00000
    138       2.9862      0.00000
    139       3.0535      0.00000
    140       3.0892      0.00000
    141       3.1403      0.00000
    142       3.1541      0.00000
    143       3.1805      0.00000
    144       3.2570      0.00000
    145       3.3911      0.00000
    146       3.4079      0.00000
    147       3.4273      0.00000
    148       3.4514      0.00000
    149       3.5354      0.00000
    150       3.5828      0.00000
    151       3.6053      0.00000
    152       3.6436      0.00000
    153       3.6766      0.00000
    154       3.8166      0.00000
    155       3.8911      0.00000
    156       3.9263      0.00000
    157       4.0025      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0357      1.00000
      2     -21.6828      1.00000
      3     -21.6268      1.00000
      4     -21.1145      1.00000
      5     -21.0737      1.00000
      6     -20.5641      1.00000
      7     -20.5094      1.00000
      8     -20.3520      1.00000
      9     -19.8261      1.00000
     10     -19.7845      1.00000
     11     -19.4552      1.00000
     12     -19.4180      1.00000
     13     -18.7486      1.00000
     14     -18.7041      1.00000
     15     -18.3924      1.00000
     16     -18.3454      1.00000
     17     -18.1933      1.00000
     18     -17.4135      1.00000
     19     -17.3658      1.00000
     20     -17.3419      1.00000
     21     -17.3174      1.00000
     22     -16.8837      1.00000
     23     -16.8271      1.00000
     24     -16.7134      1.00000
     25     -15.7606      1.00000
     26     -15.6462      1.00000
     27     -15.3448      1.00000
     28     -15.3036      1.00000
     29     -15.0093      1.00000
     30     -14.6316      1.00000
     31     -14.5628      1.00000
     32     -14.3175      1.00000
     33     -14.2751      1.00000
     34     -13.9070      1.00000
     35     -13.8943      1.00000
     36     -12.9350      1.00000
     37     -12.8278      1.00000
     38     -12.7700      1.00000
     39     -12.7531      1.00000
     40     -12.4782      1.00000
     41     -12.4305      1.00000
     42     -12.0745      1.00000
     43     -12.0541      1.00000
     44     -11.3966      1.00000
     45     -11.3633      1.00000
     46     -11.3006      1.00000
     47     -10.6939      1.00000
     48     -10.6753      1.00000
     49     -10.4841      1.00000
     50     -10.3381      1.00000
     51     -10.3130      1.00000
     52     -10.2404      1.00000
     53     -10.2035      1.00000
     54     -10.1497      1.00000
     55     -10.0917      1.00000
     56      -9.8116      1.00000
     57      -9.6475      1.00000
     58      -9.3746      1.00000
     59      -9.2954      1.00000
     60      -9.2230      1.00000
     61      -9.1726      1.00000
     62      -9.1460      1.00000
     63      -9.1145      1.00000
     64      -9.0782      1.00000
     65      -9.0257      1.00000
     66      -8.9138      1.00000
     67      -8.8680      1.00000
     68      -8.8499      1.00000
     69      -8.6183      1.00000
     70      -8.6053      1.00000
     71      -8.4891      1.00000
     72      -8.3403      1.00000
     73      -8.2319      1.00000
     74      -7.9508      1.00000
     75      -7.9220      1.00000
     76      -7.7272      1.00000
     77      -7.6151      1.00000
     78      -7.5738      1.00000
     79      -7.5201      1.00000
     80      -7.4709      1.00000
     81      -7.4284      1.00000
     82      -7.2378      1.00000
     83      -7.1158      1.00000
     84      -6.7172      1.00000
     85      -6.6593      1.00000
     86      -6.5787      1.00000
     87      -6.3778      1.00000
     88      -6.1734      1.00000
     89      -6.1186      1.00000
     90      -6.0598      1.00000
     91      -5.9470      1.00000
     92      -5.8637      1.00000
     93      -5.5649      1.00000
     94      -5.3460      1.00000
     95      -5.1328      1.00000
     96      -4.9739      1.00000
     97      -4.8386      1.00000
     98      -4.5793      1.00000
     99      -4.4981      1.00000
    100      -4.1653      1.00000
    101      -4.0378      1.00000
    102      -3.9059      1.00000
    103      -3.6483      1.00000
    104      -3.5809      1.00000
    105      -3.2415      1.00000
    106      -2.2820      0.00000
    107      -1.8806      0.00000
    108      -1.0420      0.00000
    109      -0.9655      0.00000
    110      -0.9333      0.00000
    111      -0.6867      0.00000
    112      -0.6572      0.00000
    113      -0.5551      0.00000
    114      -0.5442      0.00000
    115       0.3399      0.00000
    116       0.4667      0.00000
    117       0.5171      0.00000
    118       0.8009      0.00000
    119       1.0703      0.00000
    120       1.1083      0.00000
    121       1.1674      0.00000
    122       1.3202      0.00000
    123       1.5965      0.00000
    124       1.6270      0.00000
    125       1.6823      0.00000
    126       1.8237      0.00000
    127       2.0167      0.00000
    128       2.0270      0.00000
    129       2.0460      0.00000
    130       2.2410      0.00000
    131       2.3057      0.00000
    132       2.3758      0.00000
    133       2.4991      0.00000
    134       2.5223      0.00000
    135       2.6711      0.00000
    136       2.7649      0.00000
    137       2.8043      0.00000
    138       2.8246      0.00000
    139       2.8665      0.00000
    140       3.0505      0.00000
    141       3.0978      0.00000
    142       3.1358      0.00000
    143       3.1701      0.00000
    144       3.2295      0.00000
    145       3.2873      0.00000
    146       3.3979      0.00000
    147       3.4521      0.00000
    148       3.5319      0.00000
    149       3.5640      0.00000
    150       3.7097      0.00000
    151       3.7436      0.00000
    152       3.8183      0.00000
    153       3.9316      0.00000
    154       3.9388      0.00000
    155       3.9709      0.00000
    156       4.0097      0.00000
    157       4.0944      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1096      1.00000
      2     -21.5515      1.00000
      3     -21.3650      1.00000
      4     -21.3404      1.00000
      5     -20.9986      1.00000
      6     -20.9675      1.00000
      7     -20.7882      1.00000
      8     -19.8951      1.00000
      9     -19.8614      1.00000
     10     -19.3513      1.00000
     11     -19.3215      1.00000
     12     -19.1455      1.00000
     13     -18.8360      1.00000
     14     -18.7958      1.00000
     15     -18.7751      1.00000
     16     -18.7643      1.00000
     17     -18.1051      1.00000
     18     -18.0816      1.00000
     19     -17.7477      1.00000
     20     -16.8051      1.00000
     21     -16.7604      1.00000
     22     -16.6959      1.00000
     23     -16.6772      1.00000
     24     -16.2332      1.00000
     25     -16.1990      1.00000
     26     -15.3502      1.00000
     27     -15.3284      1.00000
     28     -14.9752      1.00000
     29     -14.9640      1.00000
     30     -14.9442      1.00000
     31     -14.8525      1.00000
     32     -14.8056      1.00000
     33     -14.4452      1.00000
     34     -14.4237      1.00000
     35     -13.4798      1.00000
     36     -13.4514      1.00000
     37     -12.9838      1.00000
     38     -12.4155      1.00000
     39     -12.3191      1.00000
     40     -12.1964      1.00000
     41     -12.1832      1.00000
     42     -11.8497      1.00000
     43     -11.8315      1.00000
     44     -11.4613      1.00000
     45     -11.4157      1.00000
     46     -11.0576      1.00000
     47     -10.9664      1.00000
     48     -10.7670      1.00000
     49     -10.7433      1.00000
     50     -10.6684      1.00000
     51     -10.6267      1.00000
     52     -10.3365      1.00000
     53      -9.9830      1.00000
     54      -9.8926      1.00000
     55      -9.8346      1.00000
     56      -9.6646      1.00000
     57      -9.4392      1.00000
     58      -9.4348      1.00000
     59      -9.4027      1.00000
     60      -9.3745      1.00000
     61      -9.3060      1.00000
     62      -9.2638      1.00000
     63      -9.0784      1.00000
     64      -9.0403      1.00000
     65      -8.9937      1.00000
     66      -8.9812      1.00000
     67      -8.8699      1.00000
     68      -8.8628      1.00000
     69      -8.8482      1.00000
     70      -8.6834      1.00000
     71      -8.6150      1.00000
     72      -8.3410      1.00000
     73      -8.3370      1.00000
     74      -7.9143      1.00000
     75      -7.8098      1.00000
     76      -7.6516      1.00000
     77      -7.5664      1.00000
     78      -7.5357      1.00000
     79      -7.4896      1.00000
     80      -7.2359      1.00000
     81      -7.0617      1.00000
     82      -7.0411      1.00000
     83      -7.0047      1.00000
     84      -6.9635      1.00000
     85      -6.7493      1.00000
     86      -6.6442      1.00000
     87      -6.5153      1.00000
     88      -6.4565      1.00000
     89      -6.3733      1.00000
     90      -5.9492      1.00000
     91      -5.8701      1.00000
     92      -5.8423      1.00000
     93      -5.7137      1.00000
     94      -5.6740      1.00000
     95      -5.1351      1.00000
     96      -4.6978      1.00000
     97      -4.5906      1.00000
     98      -4.4280      1.00000
     99      -4.2416      1.00000
    100      -4.2212      1.00000
    101      -3.8958      1.00000
    102      -3.8598      1.00000
    103      -3.7667      1.00000
    104      -3.5153      1.00000
    105      -3.4708      1.00000
    106      -2.2820      0.00000
    107      -1.4959      0.00000
    108      -1.4385      0.00000
    109      -1.0851      0.00000
    110      -1.0584      0.00000
    111      -1.0486      0.00000
    112      -0.9557      0.00000
    113      -0.3418      0.00000
    114      -0.0076      0.00000
    115       0.0183      0.00000
    116       0.7368      0.00000
    117       0.8720      0.00000
    118       0.9160      0.00000
    119       1.1672      0.00000
    120       1.2886      0.00000
    121       1.3814      0.00000
    122       1.3842      0.00000
    123       1.4203      0.00000
    124       1.5322      0.00000
    125       1.6981      0.00000
    126       1.7454      0.00000
    127       1.9228      0.00000
    128       1.9572      0.00000
    129       2.1208      0.00000
    130       2.1362      0.00000
    131       2.3079      0.00000
    132       2.3241      0.00000
    133       2.3434      0.00000
    134       2.4211      0.00000
    135       2.5619      0.00000
    136       2.7140      0.00000
    137       2.7529      0.00000
    138       2.7643      0.00000
    139       2.7844      0.00000
    140       2.9187      0.00000
    141       2.9577      0.00000
    142       3.0676      0.00000
    143       3.1249      0.00000
    144       3.1696      0.00000
    145       3.2514      0.00000
    146       3.2782      0.00000
    147       3.3935      0.00000
    148       3.4295      0.00000
    149       3.5452      0.00000
    150       3.6192      0.00000
    151       3.6398      0.00000
    152       3.7572      0.00000
    153       3.9360      0.00000
    154       3.9461      0.00000
    155       4.0442      0.00000
    156       4.0705      0.00000
    157       4.1911      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9118      1.00000
      2     -21.8591      1.00000
      3     -21.6860      1.00000
      4     -21.1329      1.00000
      5     -20.7694      1.00000
      6     -20.7499      1.00000
      7     -20.2208      1.00000
      8     -20.1982      1.00000
      9     -20.0185      1.00000
     10     -20.0166      1.00000
     11     -19.6750      1.00000
     12     -19.6362      1.00000
     13     -18.6114      1.00000
     14     -18.5599      1.00000
     15     -18.0657      1.00000
     16     -18.0497      1.00000
     17     -17.8852      1.00000
     18     -17.8803      1.00000
     19     -17.5474      1.00000
     20     -17.5324      1.00000
     21     -17.0074      1.00000
     22     -16.9796      1.00000
     23     -16.8900      1.00000
     24     -16.8745      1.00000
     25     -15.8670      1.00000
     26     -15.6048      1.00000
     27     -15.5996      1.00000
     28     -15.5869      1.00000
     29     -14.9604      1.00000
     30     -14.2920      1.00000
     31     -14.2738      1.00000
     32     -14.0059      1.00000
     33     -13.7396      1.00000
     34     -13.7023      1.00000
     35     -13.5663      1.00000
     36     -13.5562      1.00000
     37     -13.3426      1.00000
     38     -13.3126      1.00000
     39     -13.1021      1.00000
     40     -12.3862      1.00000
     41     -11.9125      1.00000
     42     -11.8902      1.00000
     43     -11.7899      1.00000
     44     -11.7585      1.00000
     45     -11.4257      1.00000
     46     -11.4167      1.00000
     47     -10.9106      1.00000
     48     -10.8792      1.00000
     49     -10.5381      1.00000
     50     -10.4745      1.00000
     51     -10.2225      1.00000
     52      -9.9514      1.00000
     53      -9.9394      1.00000
     54      -9.9217      1.00000
     55      -9.7805      1.00000
     56      -9.7365      1.00000
     57      -9.7170      1.00000
     58      -9.5784      1.00000
     59      -9.5388      1.00000
     60      -9.5203      1.00000
     61      -9.5040      1.00000
     62      -9.2028      1.00000
     63      -9.1163      1.00000
     64      -8.8508      1.00000
     65      -8.8077      1.00000
     66      -8.7482      1.00000
     67      -8.7085      1.00000
     68      -8.5986      1.00000
     69      -8.4557      1.00000
     70      -8.4451      1.00000
     71      -8.3148      1.00000
     72      -8.2931      1.00000
     73      -8.2106      1.00000
     74      -8.2054      1.00000
     75      -8.0881      1.00000
     76      -8.0477      1.00000
     77      -7.8402      1.00000
     78      -7.8046      1.00000
     79      -7.7031      1.00000
     80      -7.4426      1.00000
     81      -7.3691      1.00000
     82      -7.2515      1.00000
     83      -6.8311      1.00000
     84      -6.7134      1.00000
     85      -6.6364      1.00000
     86      -6.3886      1.00000
     87      -6.3069      1.00000
     88      -6.2682      1.00000
     89      -6.2013      1.00000
     90      -6.1308      1.00000
     91      -5.7542      1.00000
     92      -5.5588      1.00000
     93      -5.5207      1.00000
     94      -5.3683      1.00000
     95      -5.1676      1.00000
     96      -4.9872      1.00000
     97      -4.9809      1.00000
     98      -4.9462      1.00000
     99      -4.5111      1.00000
    100      -4.1379      1.00000
    101      -4.0665      1.00000
    102      -3.9855      1.00000
    103      -3.6379      1.00000
    104      -3.5960      1.00000
    105      -3.0587      1.00000
    106      -2.2022      0.00000
    107      -2.1552      0.00000
    108      -0.9347      0.00000
    109      -0.9234      0.00000
    110      -0.9155      0.00000
    111      -0.9035      0.00000
    112      -0.2471      0.00000
    113      -0.2398      0.00000
    114      -0.0956      0.00000
    115      -0.0721      0.00000
    116       0.2279      0.00000
    117       0.2372      0.00000
    118       0.7156      0.00000
    119       0.8178      0.00000
    120       0.9419      0.00000
    121       1.0206      0.00000
    122       1.2697      0.00000
    123       1.5818      0.00000
    124       1.6301      0.00000
    125       1.7695      0.00000
    126       1.9511      0.00000
    127       2.0540      0.00000
    128       2.0676      0.00000
    129       2.1445      0.00000
    130       2.3013      0.00000
    131       2.3722      0.00000
    132       2.4851      0.00000
    133       2.5129      0.00000
    134       2.6979      0.00000
    135       2.8227      0.00000
    136       2.9167      0.00000
    137       2.9513      0.00000
    138       2.9797      0.00000
    139       3.0191      0.00000
    140       3.0852      0.00000
    141       3.1182      0.00000
    142       3.1665      0.00000
    143       3.1812      0.00000
    144       3.2748      0.00000
    145       3.3694      0.00000
    146       3.3998      0.00000
    147       3.4325      0.00000
    148       3.4690      0.00000
    149       3.4995      0.00000
    150       3.5916      0.00000
    151       3.6071      0.00000
    152       3.6286      0.00000
    153       3.6540      0.00000
    154       3.8228      0.00000
    155       3.9428      0.00000
    156       3.9784      0.00000
    157       4.2166      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9992      1.00000
      2     -21.8063      1.00000
      3     -21.4417      1.00000
      4     -21.4152      1.00000
      5     -20.7038      1.00000
      6     -20.6707      1.00000
      7     -20.3339      1.00000
      8     -20.3088      1.00000
      9     -20.3011      1.00000
     10     -19.7640      1.00000
     11     -19.2429      1.00000
     12     -19.2132      1.00000
     13     -19.0495      1.00000
     14     -19.0325      1.00000
     15     -18.1758      1.00000
     16     -18.1433      1.00000
     17     -17.6704      1.00000
     18     -17.6443      1.00000
     19     -17.4918      1.00000
     20     -17.4568      1.00000
     21     -17.1848      1.00000
     22     -17.1606      1.00000
     23     -17.0691      1.00000
     24     -16.2323      1.00000
     25     -16.1941      1.00000
     26     -15.7116      1.00000
     27     -15.1539      1.00000
     28     -15.1317      1.00000
     29     -14.8432      1.00000
     30     -14.8180      1.00000
     31     -14.5809      1.00000
     32     -14.5716      1.00000
     33     -14.0615      1.00000
     34     -13.9921      1.00000
     35     -13.2195      1.00000
     36     -13.1389      1.00000
     37     -12.9282      1.00000
     38     -12.9014      1.00000
     39     -12.7313      1.00000
     40     -12.7087      1.00000
     41     -12.3618      1.00000
     42     -12.3381      1.00000
     43     -11.9499      1.00000
     44     -11.3200      1.00000
     45     -11.2695      1.00000
     46     -11.0529      1.00000
     47     -11.0144      1.00000
     48     -10.9080      1.00000
     49     -10.5305      1.00000
     50     -10.4072      1.00000
     51     -10.2260      1.00000
     52     -10.0546      1.00000
     53     -10.0540      1.00000
     54      -9.9441      1.00000
     55      -9.8685      1.00000
     56      -9.8320      1.00000
     57      -9.5811      1.00000
     58      -9.4913      1.00000
     59      -9.4603      1.00000
     60      -9.4466      1.00000
     61      -9.4404      1.00000
     62      -9.3883      1.00000
     63      -9.1137      1.00000
     64      -9.0920      1.00000
     65      -9.0620      1.00000
     66      -8.7416      1.00000
     67      -8.7057      1.00000
     68      -8.6557      1.00000
     69      -8.5277      1.00000
     70      -8.3346      1.00000
     71      -8.2839      1.00000
     72      -8.1755      1.00000
     73      -8.1343      1.00000
     74      -8.0436      1.00000
     75      -8.0329      1.00000
     76      -7.9994      1.00000
     77      -7.9800      1.00000
     78      -7.9715      1.00000
     79      -7.5671      1.00000
     80      -7.3247      1.00000
     81      -7.0968      1.00000
     82      -7.0174      1.00000
     83      -6.9469      1.00000
     84      -6.8865      1.00000
     85      -6.7501      1.00000
     86      -6.6999      1.00000
     87      -6.3592      1.00000
     88      -6.3463      1.00000
     89      -6.2423      1.00000
     90      -6.0191      1.00000
     91      -5.6968      1.00000
     92      -5.6149      1.00000
     93      -5.4672      1.00000
     94      -5.3829      1.00000
     95      -5.0786      1.00000
     96      -5.0373      1.00000
     97      -4.9782      1.00000
     98      -4.9488      1.00000
     99      -4.2210      1.00000
    100      -4.2116      1.00000
    101      -4.0071      1.00000
    102      -3.8682      1.00000
    103      -3.6722      1.00000
    104      -3.5667      1.00000
    105      -3.4165      1.00000
    106      -2.2358      0.00000
    107      -1.5831      0.00000
    108      -1.5283      0.00000
    109      -0.8543      0.00000
    110      -0.7721      0.00000
    111      -0.7521      0.00000
    112      -0.4020      0.00000
    113      -0.4006      0.00000
    114      -0.3636      0.00000
    115      -0.3501      0.00000
    116       0.4125      0.00000
    117       0.4694      0.00000
    118       0.8078      0.00000
    119       1.1211      0.00000
    120       1.1381      0.00000
    121       1.3038      0.00000
    122       1.4888      0.00000
    123       1.5064      0.00000
    124       1.6737      0.00000
    125       1.7671      0.00000
    126       1.8174      0.00000
    127       1.8442      0.00000
    128       1.9720      0.00000
    129       2.0415      0.00000
    130       2.1277      0.00000
    131       2.2666      0.00000
    132       2.4697      0.00000
    133       2.4839      0.00000
    134       2.5812      0.00000
    135       2.6540      0.00000
    136       2.6867      0.00000
    137       2.7460      0.00000
    138       2.8937      0.00000
    139       2.9083      0.00000
    140       3.0139      0.00000
    141       3.1068      0.00000
    142       3.2022      0.00000
    143       3.2320      0.00000
    144       3.3966      0.00000
    145       3.4242      0.00000
    146       3.4372      0.00000
    147       3.5382      0.00000
    148       3.6045      0.00000
    149       3.6543      0.00000
    150       3.6952      0.00000
    151       3.7179      0.00000
    152       3.7733      0.00000
    153       3.8144      0.00000
    154       3.9067      0.00000
    155       3.9142      0.00000
    156       3.9622      0.00000
    157       3.9870      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.1468      1.00000
      2     -21.3053      1.00000
      3     -21.2038      1.00000
      4     -21.1915      1.00000
      5     -21.1905      1.00000
      6     -21.1708      1.00000
      7     -21.1700      1.00000
      8     -19.4497      1.00000
      9     -19.3698      1.00000
     10     -19.3671      1.00000
     11     -19.3580      1.00000
     12     -19.3378      1.00000
     13     -19.3355      1.00000
     14     -18.5441      1.00000
     15     -18.4812      1.00000
     16     -18.4773      1.00000
     17     -18.4500      1.00000
     18     -18.4480      1.00000
     19     -18.4372      1.00000
     20     -16.4119      1.00000
     21     -16.3280      1.00000
     22     -16.3212      1.00000
     23     -16.3153      1.00000
     24     -16.3004      1.00000
     25     -16.2979      1.00000
     26     -15.3838      1.00000
     27     -15.3372      1.00000
     28     -15.3041      1.00000
     29     -15.3003      1.00000
     30     -15.2966      1.00000
     31     -15.2836      1.00000
     32     -14.0345      1.00000
     33     -13.9976      1.00000
     34     -13.9725      1.00000
     35     -13.9683      1.00000
     36     -13.9556      1.00000
     37     -13.9442      1.00000
     38     -11.7570      1.00000
     39     -11.6422      1.00000
     40     -11.6038      1.00000
     41     -11.5936      1.00000
     42     -11.5904      1.00000
     43     -11.5866      1.00000
     44     -11.5032      1.00000
     45     -11.5031      1.00000
     46     -11.4829      1.00000
     47     -11.4633      1.00000
     48     -11.4590      1.00000
     49     -11.4572      1.00000
     50     -10.4121      1.00000
     51     -10.1537      1.00000
     52     -10.1328      1.00000
     53     -10.1133      1.00000
     54     -10.1092      1.00000
     55     -10.0926      1.00000
     56     -10.0649      1.00000
     57      -9.5603      1.00000
     58      -9.2122      1.00000
     59      -9.1678      1.00000
     60      -9.1276      1.00000
     61      -9.1082      1.00000
     62      -9.1068      1.00000
     63      -8.9307      1.00000
     64      -8.8550      1.00000
     65      -8.8532      1.00000
     66      -8.8410      1.00000
     67      -8.8333      1.00000
     68      -8.8079      1.00000
     69      -8.8056      1.00000
     70      -8.8023      1.00000
     71      -8.7989      1.00000
     72      -8.7821      1.00000
     73      -8.7609      1.00000
     74      -8.7578      1.00000
     75      -7.5302      1.00000
     76      -7.3243      1.00000
     77      -7.2641      1.00000
     78      -7.2292      1.00000
     79      -7.1801      1.00000
     80      -7.1753      1.00000
     81      -7.1518      1.00000
     82      -7.1498      1.00000
     83      -6.9987      1.00000
     84      -6.9918      1.00000
     85      -6.9908      1.00000
     86      -6.9803      1.00000
     87      -6.4135      1.00000
     88      -6.3792      1.00000
     89      -6.1665      1.00000
     90      -6.1342      1.00000
     91      -6.1005      1.00000
     92      -6.0971      1.00000
     93      -5.7267      1.00000
     94      -5.6792      1.00000
     95      -5.0833      1.00000
     96      -4.7034      1.00000
     97      -4.3203      1.00000
     98      -4.2654      1.00000
     99      -4.1406      1.00000
    100      -4.1339      1.00000
    101      -4.0559      1.00000
    102      -3.9298      1.00000
    103      -3.5986      1.00000
    104      -3.5108      1.00000
    105      -3.4926      1.00000
    106      -2.3391      0.00000
    107      -1.3533      0.00000
    108      -1.3283      0.00000
    109      -1.3217      0.00000
    110      -1.3203      0.00000
    111      -1.2436      0.00000
    112      -1.2037      0.00000
    113       0.3365      0.00000
    114       0.4233      0.00000
    115       0.4705      0.00000
    116       0.5015      0.00000
    117       0.5204      0.00000
    118       0.5208      0.00000
    119       0.7417      0.00000
    120       1.3397      0.00000
    121       1.3679      0.00000
    122       1.3810      0.00000
    123       1.6504      0.00000
    124       1.8698      0.00000
    125       1.8847      0.00000
    126       1.8974      0.00000
    127       2.0746      0.00000
    128       2.1122      0.00000
    129       2.2202      0.00000
    130       2.2248      0.00000
    131       2.2297      0.00000
    132       2.2381      0.00000
    133       2.2441      0.00000
    134       2.3589      0.00000
    135       2.4335      0.00000
    136       2.4759      0.00000
    137       2.6040      0.00000
    138       2.6317      0.00000
    139       2.6673      0.00000
    140       2.8283      0.00000
    141       2.9208      0.00000
    142       2.9273      0.00000
    143       3.0055      0.00000
    144       3.0104      0.00000
    145       3.0262      0.00000
    146       3.0314      0.00000
    147       3.4184      0.00000
    148       3.4517      0.00000
    149       3.5874      0.00000
    150       3.8813      0.00000
    151       3.8934      0.00000
    152       3.9156      0.00000
    153       3.9242      0.00000
    154       3.9663      0.00000
    155       4.0194      0.00000
    156       4.0654      0.00000
    157       4.2037      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.1097      1.00000
      2     -21.5497      1.00000
      3     -21.3700      1.00000
      4     -21.3375      1.00000
      5     -20.9996      1.00000
      6     -20.9642      1.00000
      7     -20.7905      1.00000
      8     -19.8976      1.00000
      9     -19.8592      1.00000
     10     -19.3492      1.00000
     11     -19.3178      1.00000
     12     -19.1525      1.00000
     13     -18.8285      1.00000
     14     -18.7920      1.00000
     15     -18.7806      1.00000
     16     -18.7674      1.00000
     17     -18.1040      1.00000
     18     -18.0774      1.00000
     19     -17.7572      1.00000
     20     -16.8183      1.00000
     21     -16.7623      1.00000
     22     -16.6920      1.00000
     23     -16.6721      1.00000
     24     -16.2155      1.00000
     25     -16.1908      1.00000
     26     -15.3663      1.00000
     27     -15.3335      1.00000
     28     -15.0131      1.00000
     29     -14.9709      1.00000
     30     -14.9118      1.00000
     31     -14.8337      1.00000
     32     -14.8046      1.00000
     33     -14.4457      1.00000
     34     -14.4270      1.00000
     35     -13.4830      1.00000
     36     -13.4573      1.00000
     37     -12.9791      1.00000
     38     -12.3756      1.00000
     39     -12.3207      1.00000
     40     -12.1960      1.00000
     41     -12.1775      1.00000
     42     -11.8859      1.00000
     43     -11.8466      1.00000
     44     -11.4753      1.00000
     45     -11.4192      1.00000
     46     -11.0095      1.00000
     47     -10.9665      1.00000
     48     -10.7827      1.00000
     49     -10.7462      1.00000
     50     -10.6849      1.00000
     51     -10.6388      1.00000
     52     -10.3084      1.00000
     53      -9.9019      1.00000
     54      -9.9003      1.00000
     55      -9.8539      1.00000
     56      -9.6935      1.00000
     57      -9.4806      1.00000
     58      -9.4446      1.00000
     59      -9.3853      1.00000
     60      -9.3575      1.00000
     61      -9.3188      1.00000
     62      -9.2688      1.00000
     63      -9.0642      1.00000
     64      -9.0483      1.00000
     65      -9.0040      1.00000
     66      -8.9539      1.00000
     67      -8.8893      1.00000
     68      -8.8545      1.00000
     69      -8.8424      1.00000
     70      -8.6841      1.00000
     71      -8.6170      1.00000
     72      -8.3747      1.00000
     73      -8.3422      1.00000
     74      -7.8595      1.00000
     75      -7.8183      1.00000
     76      -7.6418      1.00000
     77      -7.6063      1.00000
     78      -7.5063      1.00000
     79      -7.4987      1.00000
     80      -7.1544      1.00000
     81      -7.1332      1.00000
     82      -7.0963      1.00000
     83      -7.0536      1.00000
     84      -6.8623      1.00000
     85      -6.7701      1.00000
     86      -6.6338      1.00000
     87      -6.5409      1.00000
     88      -6.4300      1.00000
     89      -6.3718      1.00000
     90      -5.9185      1.00000
     91      -5.8956      1.00000
     92      -5.8748      1.00000
     93      -5.7582      1.00000
     94      -5.5469      1.00000
     95      -5.1412      1.00000
     96      -4.8170      1.00000
     97      -4.5279      1.00000
     98      -4.4371      1.00000
     99      -4.2583      1.00000
    100      -4.1757      1.00000
    101      -4.0562      1.00000
    102      -3.8910      1.00000
    103      -3.5682      1.00000
    104      -3.4935      1.00000
    105      -3.4652      1.00000
    106      -2.3546      0.00000
    107      -1.4951      0.00000
    108      -1.4307      0.00000
    109      -1.0687      0.00000
    110      -1.0528      0.00000
    111      -1.0207      0.00000
    112      -0.9877      0.00000
    113      -0.3660      0.00000
    114       0.0085      0.00000
    115       0.0350      0.00000
    116       0.7552      0.00000
    117       0.8541      0.00000
    118       0.9451      0.00000
    119       1.0971      0.00000
    120       1.2840      0.00000
    121       1.3415      0.00000
    122       1.4316      0.00000
    123       1.4618      0.00000
    124       1.5299      0.00000
    125       1.6946      0.00000
    126       1.7488      0.00000
    127       1.9387      0.00000
    128       1.9563      0.00000
    129       2.0764      0.00000
    130       2.1508      0.00000
    131       2.3055      0.00000
    132       2.3106      0.00000
    133       2.3348      0.00000
    134       2.4237      0.00000
    135       2.5568      0.00000
    136       2.7137      0.00000
    137       2.7564      0.00000
    138       2.7665      0.00000
    139       2.8083      0.00000
    140       2.9428      0.00000
    141       2.9709      0.00000
    142       3.0512      0.00000
    143       3.0972      0.00000
    144       3.1170      0.00000
    145       3.2698      0.00000
    146       3.2784      0.00000
    147       3.4141      0.00000
    148       3.4646      0.00000
    149       3.5404      0.00000
    150       3.6110      0.00000
    151       3.6434      0.00000
    152       3.7656      0.00000
    153       3.9147      0.00000
    154       3.9878      0.00000
    155       4.0491      0.00000
    156       4.0576      0.00000
    157       4.1178      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.0004      1.00000
      2     -21.8039      1.00000
      3     -21.4458      1.00000
      4     -21.4121      1.00000
      5     -20.7063      1.00000
      6     -20.6679      1.00000
      7     -20.3445      1.00000
      8     -20.3059      1.00000
      9     -20.2949      1.00000
     10     -19.7649      1.00000
     11     -19.2452      1.00000
     12     -19.2106      1.00000
     13     -19.0471      1.00000
     14     -19.0263      1.00000
     15     -18.1861      1.00000
     16     -18.1426      1.00000
     17     -17.6716      1.00000
     18     -17.6393      1.00000
     19     -17.4977      1.00000
     20     -17.4584      1.00000
     21     -17.1832      1.00000
     22     -17.1575      1.00000
     23     -17.0823      1.00000
     24     -16.2103      1.00000
     25     -16.1878      1.00000
     26     -15.6937      1.00000
     27     -15.1660      1.00000
     28     -15.1362      1.00000
     29     -14.8482      1.00000
     30     -14.8220      1.00000
     31     -14.6163      1.00000
     32     -14.5812      1.00000
     33     -14.0309      1.00000
     34     -13.9930      1.00000
     35     -13.1887      1.00000
     36     -13.1406      1.00000
     37     -12.9381      1.00000
     38     -12.9090      1.00000
     39     -12.7142      1.00000
     40     -12.6991      1.00000
     41     -12.3781      1.00000
     42     -12.3476      1.00000
     43     -11.9469      1.00000
     44     -11.3431      1.00000
     45     -11.2757      1.00000
     46     -11.0742      1.00000
     47     -11.0226      1.00000
     48     -10.8967      1.00000
     49     -10.4572      1.00000
     50     -10.4061      1.00000
     51     -10.2293      1.00000
     52     -10.0627      1.00000
     53     -10.0533      1.00000
     54      -9.9356      1.00000
     55      -9.8589      1.00000
     56      -9.8506      1.00000
     57      -9.5574      1.00000
     58      -9.5197      1.00000
     59      -9.4717      1.00000
     60      -9.4419      1.00000
     61      -9.4251      1.00000
     62      -9.3895      1.00000
     63      -9.1093      1.00000
     64      -9.0943      1.00000
     65      -9.0602      1.00000
     66      -8.7984      1.00000
     67      -8.7067      1.00000
     68      -8.6214      1.00000
     69      -8.5484      1.00000
     70      -8.3539      1.00000
     71      -8.2737      1.00000
     72      -8.1434      1.00000
     73      -8.1284      1.00000
     74      -8.0850      1.00000
     75      -8.0264      1.00000
     76      -8.0054      1.00000
     77      -7.9982      1.00000
     78      -7.9746      1.00000
     79      -7.5442      1.00000
     80      -7.1473      1.00000
     81      -7.1108      1.00000
     82      -7.0942      1.00000
     83      -7.0019      1.00000
     84      -6.9663      1.00000
     85      -6.7335      1.00000
     86      -6.7273      1.00000
     87      -6.3821      1.00000
     88      -6.3150      1.00000
     89      -6.0560      1.00000
     90      -5.9952      1.00000
     91      -5.8170      1.00000
     92      -5.5992      1.00000
     93      -5.4707      1.00000
     94      -5.2986      1.00000
     95      -5.1358      1.00000
     96      -5.0682      1.00000
     97      -4.9734      1.00000
     98      -4.9702      1.00000
     99      -4.3839      1.00000
    100      -4.1421      1.00000
    101      -4.0917      1.00000
    102      -3.8396      1.00000
    103      -3.6102      1.00000
    104      -3.4159      1.00000
    105      -3.3908      1.00000
    106      -2.3689      0.00000
    107      -1.5906      0.00000
    108      -1.4961      0.00000
    109      -0.8817      0.00000
    110      -0.7594      0.00000
    111      -0.7445      0.00000
    112      -0.3973      0.00000
    113      -0.3805      0.00000
    114      -0.3643      0.00000
    115      -0.3471      0.00000
    116       0.4066      0.00000
    117       0.4737      0.00000
    118       0.8155      0.00000
    119       1.1091      0.00000
    120       1.1361      0.00000
    121       1.3737      0.00000
    122       1.4780      0.00000
    123       1.5135      0.00000
    124       1.6533      0.00000
    125       1.7802      0.00000
    126       1.8073      0.00000
    127       1.8409      0.00000
    128       1.9212      0.00000
    129       2.1035      0.00000
    130       2.1242      0.00000
    131       2.1669      0.00000
    132       2.4362      0.00000
    133       2.4841      0.00000
    134       2.5934      0.00000
    135       2.6558      0.00000
    136       2.6940      0.00000
    137       2.7422      0.00000
    138       2.8860      0.00000
    139       2.9448      0.00000
    140       3.0162      0.00000
    141       3.1159      0.00000
    142       3.2143      0.00000
    143       3.2309      0.00000
    144       3.4186      0.00000
    145       3.4293      0.00000
    146       3.4464      0.00000
    147       3.5112      0.00000
    148       3.5855      0.00000
    149       3.6622      0.00000
    150       3.6895      0.00000
    151       3.7157      0.00000
    152       3.7815      0.00000
    153       3.8416      0.00000
    154       3.9100      0.00000
    155       3.9682      0.00000
    156       3.9746      0.00000
    157       4.1441      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0362      1.00000
      2     -21.6757      1.00000
      3     -21.6339      1.00000
      4     -21.1041      1.00000
      5     -21.0839      1.00000
      6     -20.5579      1.00000
      7     -20.5164      1.00000
      8     -20.3535      1.00000
      9     -19.8037      1.00000
     10     -19.8029      1.00000
     11     -19.4479      1.00000
     12     -19.4282      1.00000
     13     -18.7257      1.00000
     14     -18.7241      1.00000
     15     -18.3724      1.00000
     16     -18.3612      1.00000
     17     -18.1949      1.00000
     18     -17.4255      1.00000
     19     -17.3642      1.00000
     20     -17.3488      1.00000
     21     -17.3271      1.00000
     22     -16.8570      1.00000
     23     -16.8431      1.00000
     24     -16.6944      1.00000
     25     -15.7303      1.00000
     26     -15.6800      1.00000
     27     -15.3230      1.00000
     28     -15.3092      1.00000
     29     -15.0471      1.00000
     30     -14.5990      1.00000
     31     -14.5667      1.00000
     32     -14.3220      1.00000
     33     -14.2858      1.00000
     34     -13.9071      1.00000
     35     -13.9047      1.00000
     36     -12.8813      1.00000
     37     -12.8249      1.00000
     38     -12.7889      1.00000
     39     -12.7660      1.00000
     40     -12.4549      1.00000
     41     -12.4517      1.00000
     42     -12.0689      1.00000
     43     -12.0518      1.00000
     44     -11.4262      1.00000
     45     -11.3792      1.00000
     46     -11.3126      1.00000
     47     -10.7162      1.00000
     48     -10.6639      1.00000
     49     -10.4035      1.00000
     50     -10.3769      1.00000
     51     -10.2489      1.00000
     52     -10.2426      1.00000
     53     -10.1885      1.00000
     54     -10.1815      1.00000
     55     -10.0938      1.00000
     56      -9.8155      1.00000
     57      -9.6523      1.00000
     58      -9.3576      1.00000
     59      -9.2993      1.00000
     60      -9.2625      1.00000
     61      -9.1537      1.00000
     62      -9.1371      1.00000
     63      -9.1160      1.00000
     64      -9.0741      1.00000
     65      -9.0393      1.00000
     66      -8.9369      1.00000
     67      -8.9020      1.00000
     68      -8.8554      1.00000
     69      -8.6115      1.00000
     70      -8.5999      1.00000
     71      -8.4778      1.00000
     72      -8.3521      1.00000
     73      -8.1986      1.00000
     74      -7.9603      1.00000
     75      -7.9199      1.00000
     76      -7.6816      1.00000
     77      -7.6097      1.00000
     78      -7.5731      1.00000
     79      -7.5720      1.00000
     80      -7.4612      1.00000
     81      -7.4482      1.00000
     82      -7.2084      1.00000
     83      -7.1484      1.00000
     84      -6.6849      1.00000
     85      -6.6582      1.00000
     86      -6.5640      1.00000
     87      -6.4290      1.00000
     88      -6.1899      1.00000
     89      -6.1181      1.00000
     90      -6.0625      1.00000
     91      -5.9705      1.00000
     92      -5.8014      1.00000
     93      -5.4236      1.00000
     94      -5.2417      1.00000
     95      -5.2056      1.00000
     96      -5.1178      1.00000
     97      -4.9742      1.00000
     98      -4.5205      1.00000
     99      -4.4634      1.00000
    100      -4.1342      1.00000
    101      -4.0944      1.00000
    102      -3.9729      1.00000
    103      -3.6003      1.00000
    104      -3.5460      1.00000
    105      -3.1022      1.00000
    106      -2.4597      0.00000
    107      -1.8305      0.00000
    108      -1.0240      0.00000
    109      -0.9657      0.00000
    110      -0.9341      0.00000
    111      -0.6842      0.00000
    112      -0.6808      0.00000
    113      -0.5473      0.00000
    114      -0.5466      0.00000
    115       0.4263      0.00000
    116       0.4358      0.00000
    117       0.5291      0.00000
    118       0.7866      0.00000
    119       1.0085      0.00000
    120       1.0832      0.00000
    121       1.2420      0.00000
    122       1.2732      0.00000
    123       1.6017      0.00000
    124       1.6490      0.00000
    125       1.6862      0.00000
    126       1.8197      0.00000
    127       2.0092      0.00000
    128       2.0341      0.00000
    129       2.0520      0.00000
    130       2.2308      0.00000
    131       2.2712      0.00000
    132       2.3700      0.00000
    133       2.5042      0.00000
    134       2.5552      0.00000
    135       2.6649      0.00000
    136       2.7540      0.00000
    137       2.7941      0.00000
    138       2.8442      0.00000
    139       2.8481      0.00000
    140       3.0752      0.00000
    141       3.1043      0.00000
    142       3.1391      0.00000
    143       3.1649      0.00000
    144       3.2292      0.00000
    145       3.2847      0.00000
    146       3.3885      0.00000
    147       3.4296      0.00000
    148       3.5422      0.00000
    149       3.5797      0.00000
    150       3.6966      0.00000
    151       3.7422      0.00000
    152       3.8293      0.00000
    153       3.9213      0.00000
    154       3.9412      0.00000
    155       3.9659      0.00000
    156       3.9814      0.00000
    157       4.1089      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9166      1.00000
      2     -21.8523      1.00000
      3     -21.6879      1.00000
      4     -21.1321      1.00000
      5     -20.7805      1.00000
      6     -20.7394      1.00000
      7     -20.2319      1.00000
      8     -20.1865      1.00000
      9     -20.0339      1.00000
     10     -20.0025      1.00000
     11     -19.6821      1.00000
     12     -19.6284      1.00000
     13     -18.6110      1.00000
     14     -18.5512      1.00000
     15     -18.0977      1.00000
     16     -18.0319      1.00000
     17     -17.8958      1.00000
     18     -17.8648      1.00000
     19     -17.5690      1.00000
     20     -17.5175      1.00000
     21     -17.0034      1.00000
     22     -16.9693      1.00000
     23     -16.9102      1.00000
     24     -16.8676      1.00000
     25     -15.8332      1.00000
     26     -15.6361      1.00000
     27     -15.5979      1.00000
     28     -15.5657      1.00000
     29     -14.9879      1.00000
     30     -14.3079      1.00000
     31     -14.2602      1.00000
     32     -14.0321      1.00000
     33     -13.7068      1.00000
     34     -13.6947      1.00000
     35     -13.5702      1.00000
     36     -13.5406      1.00000
     37     -13.3665      1.00000
     38     -13.3056      1.00000
     39     -13.0970      1.00000
     40     -12.3602      1.00000
     41     -11.9573      1.00000
     42     -11.8729      1.00000
     43     -11.8155      1.00000
     44     -11.7592      1.00000
     45     -11.4337      1.00000
     46     -11.3974      1.00000
     47     -10.9138      1.00000
     48     -10.8588      1.00000
     49     -10.5588      1.00000
     50     -10.4748      1.00000
     51     -10.1880      1.00000
     52      -9.9664      1.00000
     53      -9.9443      1.00000
     54      -9.9051      1.00000
     55      -9.7639      1.00000
     56      -9.7614      1.00000
     57      -9.7165      1.00000
     58      -9.5652      1.00000
     59      -9.5396      1.00000
     60      -9.5158      1.00000
     61      -9.5007      1.00000
     62      -9.2085      1.00000
     63      -9.1152      1.00000
     64      -8.8619      1.00000
     65      -8.8169      1.00000
     66      -8.7792      1.00000
     67      -8.6717      1.00000
     68      -8.6111      1.00000
     69      -8.4746      1.00000
     70      -8.4409      1.00000
     71      -8.3342      1.00000
     72      -8.2846      1.00000
     73      -8.2362      1.00000
     74      -8.2039      1.00000
     75      -8.1184      1.00000
     76      -7.9773      1.00000
     77      -7.8444      1.00000
     78      -7.7720      1.00000
     79      -7.6548      1.00000
     80      -7.5144      1.00000
     81      -7.3650      1.00000
     82      -7.2818      1.00000
     83      -6.7774      1.00000
     84      -6.6831      1.00000
     85      -6.6275      1.00000
     86      -6.5502      1.00000
     87      -6.3241      1.00000
     88      -6.2393      1.00000
     89      -6.1704      1.00000
     90      -5.9989      1.00000
     91      -5.7474      1.00000
     92      -5.5801      1.00000
     93      -5.5418      1.00000
     94      -5.3492      1.00000
     95      -5.1864      1.00000
     96      -5.0089      1.00000
     97      -4.9767      1.00000
     98      -4.9705      1.00000
     99      -4.5572      1.00000
    100      -4.1358      1.00000
    101      -4.0867      1.00000
    102      -3.9649      1.00000
    103      -3.6218      1.00000
    104      -3.5743      1.00000
    105      -2.9305      1.00000
    106      -2.4587      0.00000
    107      -2.0203      0.00000
    108      -0.9640      0.00000
    109      -0.9342      0.00000
    110      -0.9079      0.00000
    111      -0.8830      0.00000
    112      -0.2477      0.00000
    113      -0.2310      0.00000
    114      -0.0737      0.00000
    115      -0.0652      0.00000
    116       0.1929      0.00000
    117       0.2585      0.00000
    118       0.7363      0.00000
    119       0.8287      0.00000
    120       0.8848      0.00000
    121       1.0433      0.00000
    122       1.2896      0.00000
    123       1.5539      0.00000
    124       1.6555      0.00000
    125       1.7629      0.00000
    126       1.9471      0.00000
    127       2.0562      0.00000
    128       2.0739      0.00000
    129       2.1530      0.00000
    130       2.2937      0.00000
    131       2.3375      0.00000
    132       2.4832      0.00000
    133       2.5130      0.00000
    134       2.7035      0.00000
    135       2.7325      0.00000
    136       2.9479      0.00000
    137       2.9539      0.00000
    138       2.9862      0.00000
    139       3.0534      0.00000
    140       3.0891      0.00000
    141       3.1403      0.00000
    142       3.1541      0.00000
    143       3.1805      0.00000
    144       3.2570      0.00000
    145       3.3910      0.00000
    146       3.4078      0.00000
    147       3.4273      0.00000
    148       3.4514      0.00000
    149       3.5354      0.00000
    150       3.5827      0.00000
    151       3.6052      0.00000
    152       3.6435      0.00000
    153       3.6766      0.00000
    154       3.8166      0.00000
    155       3.8911      0.00000
    156       3.9263      0.00000
    157       4.0025      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0357      1.00000
      2     -21.6828      1.00000
      3     -21.6268      1.00000
      4     -21.1145      1.00000
      5     -21.0737      1.00000
      6     -20.5641      1.00000
      7     -20.5094      1.00000
      8     -20.3520      1.00000
      9     -19.8261      1.00000
     10     -19.7845      1.00000
     11     -19.4552      1.00000
     12     -19.4180      1.00000
     13     -18.7486      1.00000
     14     -18.7041      1.00000
     15     -18.3924      1.00000
     16     -18.3454      1.00000
     17     -18.1933      1.00000
     18     -17.4135      1.00000
     19     -17.3658      1.00000
     20     -17.3419      1.00000
     21     -17.3174      1.00000
     22     -16.8837      1.00000
     23     -16.8271      1.00000
     24     -16.7134      1.00000
     25     -15.7606      1.00000
     26     -15.6462      1.00000
     27     -15.3448      1.00000
     28     -15.3036      1.00000
     29     -15.0093      1.00000
     30     -14.6316      1.00000
     31     -14.5628      1.00000
     32     -14.3175      1.00000
     33     -14.2751      1.00000
     34     -13.9070      1.00000
     35     -13.8943      1.00000
     36     -12.9350      1.00000
     37     -12.8278      1.00000
     38     -12.7700      1.00000
     39     -12.7531      1.00000
     40     -12.4782      1.00000
     41     -12.4305      1.00000
     42     -12.0745      1.00000
     43     -12.0541      1.00000
     44     -11.3966      1.00000
     45     -11.3633      1.00000
     46     -11.3006      1.00000
     47     -10.6939      1.00000
     48     -10.6753      1.00000
     49     -10.4841      1.00000
     50     -10.3381      1.00000
     51     -10.3130      1.00000
     52     -10.2404      1.00000
     53     -10.2035      1.00000
     54     -10.1497      1.00000
     55     -10.0917      1.00000
     56      -9.8116      1.00000
     57      -9.6475      1.00000
     58      -9.3746      1.00000
     59      -9.2954      1.00000
     60      -9.2230      1.00000
     61      -9.1726      1.00000
     62      -9.1460      1.00000
     63      -9.1145      1.00000
     64      -9.0782      1.00000
     65      -9.0257      1.00000
     66      -8.9138      1.00000
     67      -8.8680      1.00000
     68      -8.8499      1.00000
     69      -8.6183      1.00000
     70      -8.6053      1.00000
     71      -8.4891      1.00000
     72      -8.3403      1.00000
     73      -8.2319      1.00000
     74      -7.9508      1.00000
     75      -7.9220      1.00000
     76      -7.7272      1.00000
     77      -7.6151      1.00000
     78      -7.5738      1.00000
     79      -7.5201      1.00000
     80      -7.4709      1.00000
     81      -7.4284      1.00000
     82      -7.2378      1.00000
     83      -7.1158      1.00000
     84      -6.7172      1.00000
     85      -6.6593      1.00000
     86      -6.5787      1.00000
     87      -6.3778      1.00000
     88      -6.1734      1.00000
     89      -6.1186      1.00000
     90      -6.0598      1.00000
     91      -5.9470      1.00000
     92      -5.8637      1.00000
     93      -5.5649      1.00000
     94      -5.3460      1.00000
     95      -5.1328      1.00000
     96      -4.9739      1.00000
     97      -4.8386      1.00000
     98      -4.5793      1.00000
     99      -4.4981      1.00000
    100      -4.1653      1.00000
    101      -4.0378      1.00000
    102      -3.9059      1.00000
    103      -3.6483      1.00000
    104      -3.5809      1.00000
    105      -3.2415      1.00000
    106      -2.2820      0.00000
    107      -1.8806      0.00000
    108      -1.0420      0.00000
    109      -0.9655      0.00000
    110      -0.9333      0.00000
    111      -0.6867      0.00000
    112      -0.6572      0.00000
    113      -0.5551      0.00000
    114      -0.5442      0.00000
    115       0.3399      0.00000
    116       0.4667      0.00000
    117       0.5171      0.00000
    118       0.8009      0.00000
    119       1.0703      0.00000
    120       1.1083      0.00000
    121       1.1674      0.00000
    122       1.3202      0.00000
    123       1.5964      0.00000
    124       1.6270      0.00000
    125       1.6823      0.00000
    126       1.8236      0.00000
    127       2.0167      0.00000
    128       2.0270      0.00000
    129       2.0460      0.00000
    130       2.2410      0.00000
    131       2.3057      0.00000
    132       2.3757      0.00000
    133       2.4991      0.00000
    134       2.5223      0.00000
    135       2.6711      0.00000
    136       2.7649      0.00000
    137       2.8043      0.00000
    138       2.8246      0.00000
    139       2.8665      0.00000
    140       3.0504      0.00000
    141       3.0977      0.00000
    142       3.1358      0.00000
    143       3.1700      0.00000
    144       3.2294      0.00000
    145       3.2873      0.00000
    146       3.3979      0.00000
    147       3.4521      0.00000
    148       3.5319      0.00000
    149       3.5639      0.00000
    150       3.7096      0.00000
    151       3.7436      0.00000
    152       3.8183      0.00000
    153       3.9315      0.00000
    154       3.9388      0.00000
    155       3.9708      0.00000
    156       4.0077      0.00000
    157       4.0932      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1096      1.00000
      2     -21.5515      1.00000
      3     -21.3650      1.00000
      4     -21.3404      1.00000
      5     -20.9986      1.00000
      6     -20.9675      1.00000
      7     -20.7882      1.00000
      8     -19.8951      1.00000
      9     -19.8614      1.00000
     10     -19.3513      1.00000
     11     -19.3215      1.00000
     12     -19.1455      1.00000
     13     -18.8360      1.00000
     14     -18.7958      1.00000
     15     -18.7751      1.00000
     16     -18.7643      1.00000
     17     -18.1051      1.00000
     18     -18.0816      1.00000
     19     -17.7477      1.00000
     20     -16.8051      1.00000
     21     -16.7604      1.00000
     22     -16.6959      1.00000
     23     -16.6772      1.00000
     24     -16.2332      1.00000
     25     -16.1990      1.00000
     26     -15.3502      1.00000
     27     -15.3284      1.00000
     28     -14.9752      1.00000
     29     -14.9640      1.00000
     30     -14.9442      1.00000
     31     -14.8525      1.00000
     32     -14.8056      1.00000
     33     -14.4452      1.00000
     34     -14.4237      1.00000
     35     -13.4798      1.00000
     36     -13.4514      1.00000
     37     -12.9838      1.00000
     38     -12.4155      1.00000
     39     -12.3191      1.00000
     40     -12.1964      1.00000
     41     -12.1832      1.00000
     42     -11.8497      1.00000
     43     -11.8315      1.00000
     44     -11.4613      1.00000
     45     -11.4157      1.00000
     46     -11.0576      1.00000
     47     -10.9664      1.00000
     48     -10.7670      1.00000
     49     -10.7433      1.00000
     50     -10.6684      1.00000
     51     -10.6267      1.00000
     52     -10.3365      1.00000
     53      -9.9830      1.00000
     54      -9.8926      1.00000
     55      -9.8346      1.00000
     56      -9.6646      1.00000
     57      -9.4392      1.00000
     58      -9.4348      1.00000
     59      -9.4027      1.00000
     60      -9.3745      1.00000
     61      -9.3060      1.00000
     62      -9.2638      1.00000
     63      -9.0784      1.00000
     64      -9.0403      1.00000
     65      -8.9937      1.00000
     66      -8.9812      1.00000
     67      -8.8699      1.00000
     68      -8.8628      1.00000
     69      -8.8482      1.00000
     70      -8.6834      1.00000
     71      -8.6150      1.00000
     72      -8.3410      1.00000
     73      -8.3370      1.00000
     74      -7.9143      1.00000
     75      -7.8098      1.00000
     76      -7.6516      1.00000
     77      -7.5664      1.00000
     78      -7.5357      1.00000
     79      -7.4896      1.00000
     80      -7.2359      1.00000
     81      -7.0617      1.00000
     82      -7.0411      1.00000
     83      -7.0047      1.00000
     84      -6.9635      1.00000
     85      -6.7493      1.00000
     86      -6.6442      1.00000
     87      -6.5153      1.00000
     88      -6.4565      1.00000
     89      -6.3733      1.00000
     90      -5.9492      1.00000
     91      -5.8701      1.00000
     92      -5.8423      1.00000
     93      -5.7137      1.00000
     94      -5.6740      1.00000
     95      -5.1351      1.00000
     96      -4.6978      1.00000
     97      -4.5906      1.00000
     98      -4.4280      1.00000
     99      -4.2416      1.00000
    100      -4.2212      1.00000
    101      -3.8958      1.00000
    102      -3.8598      1.00000
    103      -3.7667      1.00000
    104      -3.5153      1.00000
    105      -3.4708      1.00000
    106      -2.2820      0.00000
    107      -1.4959      0.00000
    108      -1.4385      0.00000
    109      -1.0851      0.00000
    110      -1.0584      0.00000
    111      -1.0486      0.00000
    112      -0.9557      0.00000
    113      -0.3418      0.00000
    114      -0.0076      0.00000
    115       0.0183      0.00000
    116       0.7368      0.00000
    117       0.8720      0.00000
    118       0.9160      0.00000
    119       1.1672      0.00000
    120       1.2886      0.00000
    121       1.3814      0.00000
    122       1.3842      0.00000
    123       1.4203      0.00000
    124       1.5322      0.00000
    125       1.6980      0.00000
    126       1.7454      0.00000
    127       1.9228      0.00000
    128       1.9572      0.00000
    129       2.1208      0.00000
    130       2.1362      0.00000
    131       2.3079      0.00000
    132       2.3241      0.00000
    133       2.3434      0.00000
    134       2.4210      0.00000
    135       2.5618      0.00000
    136       2.7139      0.00000
    137       2.7528      0.00000
    138       2.7642      0.00000
    139       2.7844      0.00000
    140       2.9187      0.00000
    141       2.9576      0.00000
    142       3.0676      0.00000
    143       3.1248      0.00000
    144       3.1695      0.00000
    145       3.2513      0.00000
    146       3.2782      0.00000
    147       3.3935      0.00000
    148       3.4295      0.00000
    149       3.5451      0.00000
    150       3.6192      0.00000
    151       3.6398      0.00000
    152       3.7571      0.00000
    153       3.9360      0.00000
    154       3.9461      0.00000
    155       4.0441      0.00000
    156       4.0704      0.00000
    157       4.1929      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9118      1.00000
      2     -21.8591      1.00000
      3     -21.6860      1.00000
      4     -21.1329      1.00000
      5     -20.7694      1.00000
      6     -20.7499      1.00000
      7     -20.2208      1.00000
      8     -20.1982      1.00000
      9     -20.0185      1.00000
     10     -20.0166      1.00000
     11     -19.6750      1.00000
     12     -19.6362      1.00000
     13     -18.6114      1.00000
     14     -18.5599      1.00000
     15     -18.0657      1.00000
     16     -18.0497      1.00000
     17     -17.8852      1.00000
     18     -17.8803      1.00000
     19     -17.5474      1.00000
     20     -17.5324      1.00000
     21     -17.0074      1.00000
     22     -16.9796      1.00000
     23     -16.8900      1.00000
     24     -16.8745      1.00000
     25     -15.8670      1.00000
     26     -15.6048      1.00000
     27     -15.5996      1.00000
     28     -15.5869      1.00000
     29     -14.9604      1.00000
     30     -14.2920      1.00000
     31     -14.2738      1.00000
     32     -14.0059      1.00000
     33     -13.7396      1.00000
     34     -13.7023      1.00000
     35     -13.5663      1.00000
     36     -13.5562      1.00000
     37     -13.3426      1.00000
     38     -13.3126      1.00000
     39     -13.1021      1.00000
     40     -12.3862      1.00000
     41     -11.9125      1.00000
     42     -11.8902      1.00000
     43     -11.7899      1.00000
     44     -11.7585      1.00000
     45     -11.4257      1.00000
     46     -11.4167      1.00000
     47     -10.9106      1.00000
     48     -10.8792      1.00000
     49     -10.5381      1.00000
     50     -10.4745      1.00000
     51     -10.2225      1.00000
     52      -9.9514      1.00000
     53      -9.9394      1.00000
     54      -9.9217      1.00000
     55      -9.7805      1.00000
     56      -9.7365      1.00000
     57      -9.7170      1.00000
     58      -9.5784      1.00000
     59      -9.5388      1.00000
     60      -9.5203      1.00000
     61      -9.5040      1.00000
     62      -9.2028      1.00000
     63      -9.1163      1.00000
     64      -8.8508      1.00000
     65      -8.8077      1.00000
     66      -8.7482      1.00000
     67      -8.7085      1.00000
     68      -8.5986      1.00000
     69      -8.4557      1.00000
     70      -8.4451      1.00000
     71      -8.3148      1.00000
     72      -8.2931      1.00000
     73      -8.2106      1.00000
     74      -8.2054      1.00000
     75      -8.0881      1.00000
     76      -8.0477      1.00000
     77      -7.8402      1.00000
     78      -7.8046      1.00000
     79      -7.7031      1.00000
     80      -7.4426      1.00000
     81      -7.3691      1.00000
     82      -7.2515      1.00000
     83      -6.8311      1.00000
     84      -6.7134      1.00000
     85      -6.6364      1.00000
     86      -6.3886      1.00000
     87      -6.3069      1.00000
     88      -6.2682      1.00000
     89      -6.2013      1.00000
     90      -6.1308      1.00000
     91      -5.7542      1.00000
     92      -5.5588      1.00000
     93      -5.5207      1.00000
     94      -5.3683      1.00000
     95      -5.1676      1.00000
     96      -4.9872      1.00000
     97      -4.9809      1.00000
     98      -4.9462      1.00000
     99      -4.5111      1.00000
    100      -4.1379      1.00000
    101      -4.0665      1.00000
    102      -3.9855      1.00000
    103      -3.6379      1.00000
    104      -3.5960      1.00000
    105      -3.0587      1.00000
    106      -2.2022      0.00000
    107      -2.1552      0.00000
    108      -0.9347      0.00000
    109      -0.9234      0.00000
    110      -0.9155      0.00000
    111      -0.9035      0.00000
    112      -0.2471      0.00000
    113      -0.2398      0.00000
    114      -0.0956      0.00000
    115      -0.0721      0.00000
    116       0.2279      0.00000
    117       0.2372      0.00000
    118       0.7156      0.00000
    119       0.8178      0.00000
    120       0.9419      0.00000
    121       1.0206      0.00000
    122       1.2697      0.00000
    123       1.5818      0.00000
    124       1.6301      0.00000
    125       1.7695      0.00000
    126       1.9511      0.00000
    127       2.0539      0.00000
    128       2.0676      0.00000
    129       2.1444      0.00000
    130       2.3012      0.00000
    131       2.3722      0.00000
    132       2.4851      0.00000
    133       2.5129      0.00000
    134       2.6979      0.00000
    135       2.8227      0.00000
    136       2.9167      0.00000
    137       2.9513      0.00000
    138       2.9797      0.00000
    139       3.0191      0.00000
    140       3.0851      0.00000
    141       3.1182      0.00000
    142       3.1664      0.00000
    143       3.1812      0.00000
    144       3.2747      0.00000
    145       3.3694      0.00000
    146       3.3997      0.00000
    147       3.4325      0.00000
    148       3.4689      0.00000
    149       3.4995      0.00000
    150       3.5915      0.00000
    151       3.6070      0.00000
    152       3.6285      0.00000
    153       3.6539      0.00000
    154       3.8230      0.00000
    155       3.9421      0.00000
    156       3.9754      0.00000
    157       4.2119      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9992      1.00000
      2     -21.8063      1.00000
      3     -21.4417      1.00000
      4     -21.4152      1.00000
      5     -20.7038      1.00000
      6     -20.6707      1.00000
      7     -20.3339      1.00000
      8     -20.3088      1.00000
      9     -20.3011      1.00000
     10     -19.7640      1.00000
     11     -19.2429      1.00000
     12     -19.2132      1.00000
     13     -19.0495      1.00000
     14     -19.0325      1.00000
     15     -18.1758      1.00000
     16     -18.1433      1.00000
     17     -17.6704      1.00000
     18     -17.6443      1.00000
     19     -17.4918      1.00000
     20     -17.4568      1.00000
     21     -17.1848      1.00000
     22     -17.1606      1.00000
     23     -17.0691      1.00000
     24     -16.2323      1.00000
     25     -16.1941      1.00000
     26     -15.7116      1.00000
     27     -15.1539      1.00000
     28     -15.1317      1.00000
     29     -14.8432      1.00000
     30     -14.8180      1.00000
     31     -14.5809      1.00000
     32     -14.5716      1.00000
     33     -14.0615      1.00000
     34     -13.9921      1.00000
     35     -13.2195      1.00000
     36     -13.1389      1.00000
     37     -12.9282      1.00000
     38     -12.9014      1.00000
     39     -12.7313      1.00000
     40     -12.7087      1.00000
     41     -12.3618      1.00000
     42     -12.3381      1.00000
     43     -11.9499      1.00000
     44     -11.3200      1.00000
     45     -11.2695      1.00000
     46     -11.0529      1.00000
     47     -11.0144      1.00000
     48     -10.9080      1.00000
     49     -10.5305      1.00000
     50     -10.4072      1.00000
     51     -10.2260      1.00000
     52     -10.0546      1.00000
     53     -10.0540      1.00000
     54      -9.9441      1.00000
     55      -9.8685      1.00000
     56      -9.8320      1.00000
     57      -9.5811      1.00000
     58      -9.4913      1.00000
     59      -9.4603      1.00000
     60      -9.4466      1.00000
     61      -9.4404      1.00000
     62      -9.3883      1.00000
     63      -9.1137      1.00000
     64      -9.0920      1.00000
     65      -9.0620      1.00000
     66      -8.7416      1.00000
     67      -8.7057      1.00000
     68      -8.6557      1.00000
     69      -8.5277      1.00000
     70      -8.3346      1.00000
     71      -8.2839      1.00000
     72      -8.1755      1.00000
     73      -8.1343      1.00000
     74      -8.0436      1.00000
     75      -8.0329      1.00000
     76      -7.9994      1.00000
     77      -7.9800      1.00000
     78      -7.9715      1.00000
     79      -7.5671      1.00000
     80      -7.3247      1.00000
     81      -7.0968      1.00000
     82      -7.0174      1.00000
     83      -6.9469      1.00000
     84      -6.8865      1.00000
     85      -6.7501      1.00000
     86      -6.6999      1.00000
     87      -6.3592      1.00000
     88      -6.3463      1.00000
     89      -6.2423      1.00000
     90      -6.0191      1.00000
     91      -5.6968      1.00000
     92      -5.6149      1.00000
     93      -5.4672      1.00000
     94      -5.3829      1.00000
     95      -5.0786      1.00000
     96      -5.0373      1.00000
     97      -4.9782      1.00000
     98      -4.9488      1.00000
     99      -4.2210      1.00000
    100      -4.2116      1.00000
    101      -4.0071      1.00000
    102      -3.8682      1.00000
    103      -3.6722      1.00000
    104      -3.5667      1.00000
    105      -3.4165      1.00000
    106      -2.2358      0.00000
    107      -1.5831      0.00000
    108      -1.5283      0.00000
    109      -0.8543      0.00000
    110      -0.7721      0.00000
    111      -0.7521      0.00000
    112      -0.4020      0.00000
    113      -0.4006      0.00000
    114      -0.3636      0.00000
    115      -0.3501      0.00000
    116       0.4125      0.00000
    117       0.4694      0.00000
    118       0.8078      0.00000
    119       1.1211      0.00000
    120       1.1381      0.00000
    121       1.3038      0.00000
    122       1.4888      0.00000
    123       1.5064      0.00000
    124       1.6737      0.00000
    125       1.7671      0.00000
    126       1.8173      0.00000
    127       1.8442      0.00000
    128       1.9719      0.00000
    129       2.0415      0.00000
    130       2.1276      0.00000
    131       2.2666      0.00000
    132       2.4696      0.00000
    133       2.4839      0.00000
    134       2.5812      0.00000
    135       2.6539      0.00000
    136       2.6866      0.00000
    137       2.7460      0.00000
    138       2.8937      0.00000
    139       2.9083      0.00000
    140       3.0138      0.00000
    141       3.1067      0.00000
    142       3.2022      0.00000
    143       3.2320      0.00000
    144       3.3966      0.00000
    145       3.4241      0.00000
    146       3.4371      0.00000
    147       3.5382      0.00000
    148       3.6045      0.00000
    149       3.6543      0.00000
    150       3.6951      0.00000
    151       3.7178      0.00000
    152       3.7733      0.00000
    153       3.8144      0.00000
    154       3.9067      0.00000
    155       3.9142      0.00000
    156       3.9621      0.00000
    157       3.9869      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   201.9321   -5.4086    2.9940   -0.8966   -0.1690   17.4791    0.2915   -0.5574    0.5508   -0.3591
x    -3.1415   -0.0291   -0.0382    0.0123    0.0420   -2.9987   -0.0155   -0.0036    0.0039    0.0014
x    -0.0957   -0.0030    0.0036   -0.0029    0.0018   -0.0239    0.0000    0.0000   -0.0002    0.0002
x    -0.0036   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   201.9321    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0035    0.0001    0.0017    0.0004    0.0005   -0.0953   -0.0297    0.0662   -0.0268
y     0.1045   -3.1652   -0.3996    0.0269   -1.2390   -0.4614
z   201.9321    1.0073   -0.0119    0.0008    0.0259    0.0789   -0.0029   -0.0003    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0835    0.0054   -0.0005    0.0003    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0010   -0.0002   -0.0002   -0.0001
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.3443
z    -0.4444    0.1645    0.0416    0.1375   -0.0889   -0.0010
 total charge-density along one line
x   210.0000   -8.3425    5.0144   -1.7403   -0.4164   19.4528   -0.9312    0.5354   -0.2050    0.0367
x    -2.7281   -0.0136   -0.0238    0.0180    0.0117   -2.2549   -0.0212   -0.0016    0.0040    0.0015
x    -0.0861   -0.0025    0.0040   -0.0041    0.0030   -0.0365    0.0000    0.0001   -0.0002    0.0001
x    -0.0057    0.0000   -0.0001    0.0001    0.0000    0.0013    0.0001    0.0000   -0.0001    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   210.0000   -8.3425    5.0144   -1.7403   -0.4164   19.4528   -0.9312    0.5354   -0.2050    0.0367
y    -2.7281   -0.0136   -0.0238    0.0180    0.0117   -2.2549   -0.0212   -0.0016    0.0040    0.0015
y    -0.0861   -0.0025    0.0040   -0.0041    0.0030   -0.0365    0.0000    0.0001   -0.0002    0.0001
y    -0.0057    0.0000   -0.0001    0.0001    0.0000    0.0013    0.0001    0.0000   -0.0001    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   210.0000 -204.7477  190.8014 -172.4506  153.9365 -137.4656  122.8806 -108.7950   94.0868  -78.7408
z    63.7316  -50.3093   39.2902  -30.7648   24.2615  -19.1331   14.8831  -11.2812    8.2883   -5.9138
z     4.1162   -2.7907    1.8118   -1.0798    0.5366   -0.1505   -0.1053    0.2636   -0.3583    0.4136
z    -0.4400    0.4392   -0.4131    0.3688   -0.3181    0.2710   -0.2321    0.2000   -0.1712    0.1435
z    -0.1172    0.0945   -0.0767    0.0634   -0.0532    0.0445   -0.0368    0.0303   -0.0252    0.0215
z    -0.0185    0.0156   -0.0128    0.0103   -0.0084    0.0069   -0.0056    0.0043   -0.0031    0.0021
z    -0.0014    0.0009   -0.0005    0.0001    0.0002   -0.0004    0.0005   -0.0004    0.0004   -0.0004
z     0.0004   -0.0003    0.0002    0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0002    0.0002
z    -0.0002    0.0002   -0.0001    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000   -0.0001
z     0.0001    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.764   0.000  -0.011   0.000   0.001   0.173   0.000   0.002
  0.000 -10.957   0.000   0.049   0.000   0.000   0.197   0.000
 -0.011   0.000 -11.077   0.000   0.006   0.002   0.000   0.212
  0.000   0.049   0.000 -11.014   0.000   0.000  -0.006   0.000
  0.001   0.000   0.006   0.000 -10.762   0.000   0.000  -0.001
  0.173   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.197   0.000  -0.006   0.000   0.000   0.176   0.000
  0.002   0.000   0.212   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.006   0.000   0.204   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.173   0.000   0.000   0.000
 -0.020   0.000   0.093   0.000   0.012   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.029   0.000  -0.001   0.000   0.000  -0.004   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.031   0.000   0.000   0.000   0.000
  0.000  -0.022   0.000   0.000   0.000   0.000   0.003   0.000
  0.000   0.000  -0.022   0.000   0.000   0.000   0.000   0.003
  0.000   0.000   0.000  -0.023   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.764   0.000  -0.011   0.000   0.001   0.173   0.000   0.002
  0.000 -10.957   0.000   0.049   0.000   0.000   0.197   0.000
 -0.011   0.000 -11.077   0.000   0.006   0.002   0.000   0.212
  0.000   0.049   0.000 -11.014   0.000   0.000  -0.006   0.000
  0.001   0.000   0.006   0.000 -10.762   0.000   0.000  -0.001
  0.173   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.197   0.000  -0.006   0.000   0.000   0.176   0.000
  0.002   0.000   0.212   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.006   0.000   0.204   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.173   0.000   0.000   0.000
 -0.020   0.000   0.093   0.000   0.012   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.029   0.000  -0.001   0.000   0.000  -0.004   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.031   0.000   0.000   0.000   0.000
  0.000  -0.022   0.000   0.000   0.000   0.000   0.003   0.000
  0.000   0.000  -0.022   0.000   0.000   0.000   0.000   0.003
  0.000   0.000   0.000  -0.023   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.937   0.000   0.063   0.000   0.004   0.097   0.000  -0.030   0.000  -0.009   0.095  -0.013   0.000   0.037   0.000   0.000
  0.000   1.880   0.000   0.110   0.000   0.000   0.217   0.000  -0.090   0.000   0.000   0.000   0.004   0.000   0.024   0.034
  0.063   0.000   1.727   0.000  -0.037  -0.015   0.000   0.307   0.000   0.008  -0.338   0.069   0.000  -0.089   0.000   0.000
  0.000   0.110   0.000   1.764   0.000   0.000  -0.090   0.000   0.316   0.000   0.000   0.000   0.025   0.000  -0.020  -0.001
  0.004   0.000  -0.037   0.000   1.944  -0.009   0.000   0.016   0.000   0.086  -0.086   0.004   0.000  -0.028   0.000   0.000
  0.097   0.000  -0.015   0.000  -0.009   0.035   0.000  -0.044   0.000   0.004  -0.080   0.032   0.000   0.026   0.000   0.000
  0.000   0.217   0.000  -0.090   0.000   0.000   0.158   0.000  -0.086   0.000   0.000   0.000  -0.050   0.000   0.029   0.006
 -0.030   0.000   0.307   0.000   0.016  -0.044   0.000   0.535   0.000   0.026   0.458  -0.287   0.000  -0.220   0.000   0.000
  0.000  -0.090   0.000   0.316   0.000   0.000  -0.086   0.000   0.258   0.000   0.000   0.000   0.029   0.000  -0.084  -0.003
 -0.009   0.000   0.008   0.000   0.086   0.004   0.000   0.026   0.000   0.041   0.053  -0.018   0.000  -0.014   0.000   0.000
  0.095   0.000  -0.338   0.000  -0.086  -0.080   0.000   0.458   0.000   0.053   0.943  -0.353   0.000  -0.218   0.000   0.000
 -0.013   0.000   0.069   0.000   0.004   0.032   0.000  -0.287   0.000  -0.018  -0.353   0.241   0.000   0.141   0.000   0.000
  0.000   0.004   0.000   0.025   0.000   0.000  -0.050   0.000   0.029   0.000   0.000   0.000   0.021   0.000  -0.011  -0.001
  0.037   0.000  -0.089   0.000  -0.028   0.026   0.000  -0.220   0.000  -0.014  -0.218   0.141   0.000   0.102   0.000   0.000
  0.000   0.024   0.000  -0.020   0.000   0.000   0.029   0.000  -0.084   0.000   0.000   0.000  -0.011   0.000   0.035   0.001
  0.000   0.034   0.000  -0.001   0.000   0.000   0.006   0.000  -0.003   0.000   0.000   0.000  -0.001   0.000   0.001   0.001
 -0.002   0.000   0.036   0.000   0.001  -0.002   0.000   0.022   0.000   0.001   0.009  -0.011   0.000  -0.009   0.000   0.000
  0.000  -0.001   0.000   0.035   0.000   0.000  -0.003   0.000   0.010   0.000   0.000   0.000   0.001   0.000  -0.002   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.453   0.117   8.190   8.761
  2        0.863   1.781   0.000   2.644
  3        0.863   1.781   0.000   2.644
  4        0.863   1.782   0.000   2.645
  5        0.864   1.785   0.000   2.649
  6        0.864   1.783   0.000   2.646
  7        0.864   1.782   0.000   2.646
  8        0.863   1.782   0.000   2.645
  9        0.863   1.780   0.000   2.643
 10        0.863   1.786   0.000   2.649
 11        0.864   1.782   0.000   2.645
 12        0.864   1.784   0.000   2.648
 13        0.864   1.784   0.000   2.648
 14        0.864   1.774   0.000   2.638
 15        0.849   1.752   0.000   2.600
 16        0.863   1.786   0.000   2.649
 17        0.863   1.782   0.000   2.646
 18        0.863   1.782   0.000   2.645
 19        0.862   1.781   0.000   2.643
 20        0.864   1.771   0.000   2.635
 21        0.863   1.780   0.000   2.643
 22        0.863   1.782   0.000   2.645
 23        0.863   1.782   0.000   2.645
 24        0.863   1.782   0.000   2.645
 25        0.864   1.784   0.000   2.648
 26        0.863   1.782   0.000   2.645
 27        0.863   1.782   0.000   2.645
 28        0.863   1.782   0.000   2.645
 29        0.864   1.784   0.000   2.648
 30        0.863   1.782   0.000   2.645
 31        0.863   1.782   0.000   2.645
 32        0.863   1.782   0.000   2.646
 33        0.863   1.780   0.000   2.643
 34        0.864   1.771   0.000   2.635
 35        0.862   1.781   0.000   2.643
 36        0.863   1.782   0.000   2.645
 37        0.864   1.784   0.000   2.648
 38        0.863   1.786   0.000   2.649
 39        0.849   1.752   0.000   2.600
 40        0.864   1.774   0.000   2.638
 41        0.864   1.784   0.000   2.648
 42        0.864   1.782   0.000   2.646
 43        0.864   1.782   0.000   2.645
 44        0.863   1.786   0.000   2.649
 45        0.863   1.780   0.000   2.643
 46        0.863   1.782   0.000   2.645
 47        0.863   1.781   0.000   2.644
 48        0.864   1.783   0.000   2.646
 49        0.864   1.785   0.000   2.649
 50        0.863   1.782   0.000   2.645
 51        0.863   1.781   0.000   2.644
------------------------------------------------
tot       43.595  89.137   8.190 140.923
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


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


    CHARGE:  VPU time  114.44: CPU time   57.81
    FORLOC:  VPU time    1.13: CPU time    1.12
    FORNL :  VPU time  435.27: CPU time  218.09
    STRESS:  VPU time 1329.10: CPU time  667.38
    FORCOR:  VPU time    7.46: CPU time    7.46
    FORHAR:  VPU time    1.99: CPU time    1.99
    MIXING:  VPU time    0.19: CPU time    0.18


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -463.179776 eV

  energy  without entropy=     -463.179776  energy(sigma->0) =     -463.179776
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     92.66     92.66     92.66
  Ewald    40653.85  40623.07 -47394.00    -26.66      0.00      0.00
  Hartree  40137.41  40124.06 -39453.20    -11.56      0.00      0.00
  E(xc)     -773.68   -773.81   -801.38     -0.11      0.00      0.00
  Local   -83067.60 -83028.40  84178.57     33.95      0.00      0.00
  n-local   -218.64   -215.33   -211.03      1.68      0.00      0.00
  augment     20.96     21.42     18.79      0.40      0.00      0.00
  Kinetic   3151.16   3159.88   3569.29     -0.12      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.05     -0.29     -0.29     -0.21      0.00      0.00
  in kB       -0.03     -0.18     -0.18     -0.13      0.00      0.00
  external pressure =       -0.13 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.350987888  0.001717600  0.000000000     0.080958685  0.046726578  0.000000000
    -6.174013103 10.697123669  0.000000000    -0.000012999  0.093475571  0.000000000
     0.000000000  0.000000000 19.965555502     0.000000000  0.000000000  0.050086260

  length of vectors
    12.350988007 12.350987515 19.965555502     0.093475568  0.093475572  0.050086260


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.841E-05 -.406E-04 -.112E+04   0.597E-05 -.295E-04 0.112E+04   -.635E-21 0.715E-21 0.490E+01   -.311E-08 -.119E-07 0.223E-01
   -.163E+01 0.942E+00 0.207E+02   0.162E+01 -.938E+00 -.208E+02   0.147E-02 -.849E-03 0.204E-01   -.553E-03 0.317E-03 0.301E-02
   0.520E+01 0.601E+01 0.234E+02   -.519E+01 -.603E+01 -.234E+02   -.111E-01 0.202E-01 -.417E-02   0.149E-03 0.204E-02 0.374E-02
   0.100E+02 0.521E+01 0.189E+02   -.101E+02 -.522E+01 -.189E+02   -.366E-02 0.169E-01 -.580E-01   0.257E-03 0.171E-02 0.372E-02
   0.400E+01 -.121E+01 0.176E+02   -.402E+01 0.124E+01 -.176E+02   0.138E-01 -.192E-01 0.320E-01   0.369E-03 0.343E-03 0.285E-02
   -.227E+01 -.245E+01 0.163E+02   0.228E+01 0.246E+01 -.163E+02   -.173E-01 -.863E-02 0.274E-01   -.554E-03 -.118E-02 0.282E-02
   0.987E+00 0.319E+01 0.163E+02   -.994E+00 -.321E+01 -.163E+02   -.118E-02 0.193E-01 0.274E-01   0.743E-03 0.107E-02 0.282E-02
   0.308E+01 0.167E+02 0.265E+02   -.310E+01 -.167E+02 -.265E+02   0.130E-01 0.422E-01 0.444E-01   0.299E-03 0.186E-02 0.415E-02
   0.192E+02 0.227E+02 0.355E+02   -.193E+02 -.229E+02 -.354E+02   0.372E-01 0.158E+00 -.132E+00   0.796E-03 0.288E-02 0.474E-02
   0.255E+02 -.526E+01 0.217E+02   -.257E+02 0.537E+01 -.217E+02   0.177E+00 -.103E+00 0.629E-01   0.505E-03 0.621E-03 0.392E-02
   0.889E+01 -.513E+01 0.146E+02   -.887E+01 0.512E+01 -.147E+02   -.270E-01 0.156E-01 0.456E-01   0.855E-03 -.497E-03 0.344E-02
   0.305E+01 -.286E+01 0.176E+02   -.308E+01 0.287E+01 -.176E+02   0.235E-01 -.238E-02 0.320E-01   -.114E-03 -.493E-03 0.284E-02
   -.548E+01 0.119E+02 0.199E+02   0.546E+01 -.120E+02 -.200E+02   0.748E-02 0.418E-01 0.326E-01   -.107E-03 0.256E-02 0.352E-02
   -.118E+02 0.326E+02 0.319E+02   0.118E+02 -.330E+02 -.324E+02   0.207E-01 0.465E+00 0.535E+00   -.431E-03 0.196E-02 0.524E-02
   0.343E+02 -.198E+02 0.347E+02   -.356E+02 0.205E+02 -.374E+02   0.129E+01 -.743E+00 0.275E+01   0.279E-03 -.163E-03 0.746E-02
   0.173E+02 -.194E+02 0.217E+02   -.175E+02 0.195E+02 -.217E+02   0.177E+00 -.102E+00 0.629E-01   -.287E-03 -.752E-03 0.392E-02
   0.512E+00 -.113E+02 0.189E+02   -.503E+00 0.113E+02 -.189E+02   -.165E-01 -.530E-02 -.580E-01   -.135E-02 -.108E-02 0.372E-02
   -.349E+01 0.104E+01 0.145E+02   0.350E+01 -.105E+01 -.145E+02   -.103E-01 0.929E-02 -.468E-01   -.207E-02 0.849E-03 0.295E-02
   -.162E+02 0.935E+01 0.156E+02   0.162E+02 -.936E+01 -.155E+02   -.302E-01 0.175E-01 -.157E+00   -.229E-02 0.132E-02 0.378E-02
   -.341E+02 -.605E+01 0.319E+02   0.345E+02 0.631E+01 -.324E+02   -.392E+00 -.250E+00 0.535E+00   -.191E-02 -.608E-03 0.524E-02
   -.101E+02 -.280E+02 0.355E+02   0.102E+02 0.281E+02 -.354E+02   -.119E+00 -.111E+00 -.132E+00   -.210E-02 -.213E-02 0.474E-02
   -.261E+01 -.750E+01 0.234E+02   0.262E+01 0.751E+01 -.234E+02   -.231E-01 -.482E-03 -.417E-02   -.169E-02 -.115E-02 0.374E-02
   0.806E+00 -.465E+00 0.166E+02   -.805E+00 0.465E+00 -.166E+02   -.775E-02 0.448E-02 -.355E-01   -.113E-02 0.653E-03 0.238E-02
   -.265E+01 0.250E+01 0.145E+02   0.266E+01 -.250E+01 -.145E+02   -.132E-01 0.427E-02 -.468E-01   -.177E-02 0.137E-02 0.295E-02
   -.131E+02 -.123E+01 0.199E+02   0.131E+02 0.126E+01 -.200E+02   -.324E-01 -.274E-01 0.326E-01   -.227E-02 -.119E-02 0.352E-02
   -.129E+02 -.110E+02 0.265E+02   0.130E+02 0.111E+02 -.265E+02   -.300E-01 -.324E-01 0.444E-01   -.146E-02 -.119E-02 0.415E-02
   0.261E+01 0.750E+01 0.234E+02   -.262E+01 -.751E+01 -.234E+02   0.231E-01 0.482E-03 -.417E-02   0.169E-02 0.115E-02 0.374E-02
   0.129E+02 0.110E+02 0.265E+02   -.130E+02 -.111E+02 -.265E+02   0.300E-01 0.324E-01 0.444E-01   0.146E-02 0.119E-02 0.415E-02
   0.131E+02 0.123E+01 0.199E+02   -.131E+02 -.126E+01 -.200E+02   0.324E-01 0.274E-01 0.326E-01   0.227E-02 0.119E-02 0.352E-02
   0.265E+01 -.250E+01 0.145E+02   -.266E+01 0.250E+01 -.145E+02   0.132E-01 -.427E-02 -.468E-01   0.177E-02 -.137E-02 0.295E-02
   -.806E+00 0.466E+00 0.166E+02   0.805E+00 -.464E+00 -.166E+02   0.775E-02 -.448E-02 -.355E-01   0.113E-02 -.653E-03 0.238E-02
   -.513E+00 0.113E+02 0.189E+02   0.503E+00 -.113E+02 -.189E+02   0.165E-01 0.530E-02 -.580E-01   0.135E-02 0.108E-02 0.372E-02
   0.101E+02 0.280E+02 0.355E+02   -.102E+02 -.281E+02 -.354E+02   0.119E+00 0.111E+00 -.132E+00   0.210E-02 0.213E-02 0.474E-02
   0.341E+02 0.605E+01 0.319E+02   -.345E+02 -.631E+01 -.324E+02   0.392E+00 0.250E+00 0.535E+00   0.191E-02 0.608E-03 0.524E-02
   0.162E+02 -.935E+01 0.156E+02   -.162E+02 0.936E+01 -.155E+02   0.302E-01 -.175E-01 -.157E+00   0.229E-02 -.132E-02 0.378E-02
   0.349E+01 -.104E+01 0.145E+02   -.350E+01 0.105E+01 -.145E+02   0.103E-01 -.929E-02 -.468E-01   0.207E-02 -.849E-03 0.295E-02
   -.305E+01 0.286E+01 0.176E+02   0.308E+01 -.287E+01 -.176E+02   -.235E-01 0.238E-02 0.320E-01   0.114E-03 0.493E-03 0.284E-02
   -.173E+02 0.194E+02 0.217E+02   0.175E+02 -.195E+02 -.217E+02   -.177E+00 0.102E+00 0.629E-01   0.287E-03 0.752E-03 0.392E-02
   -.343E+02 0.198E+02 0.347E+02   0.356E+02 -.205E+02 -.374E+02   -.129E+01 0.743E+00 0.275E+01   -.279E-03 0.163E-03 0.746E-02
   0.118E+02 -.326E+02 0.319E+02   -.118E+02 0.330E+02 -.324E+02   -.207E-01 -.465E+00 0.535E+00   0.431E-03 -.196E-02 0.524E-02
   0.548E+01 -.119E+02 0.199E+02   -.546E+01 0.120E+02 -.200E+02   -.748E-02 -.418E-01 0.326E-01   0.107E-03 -.256E-02 0.352E-02
   -.987E+00 -.319E+01 0.163E+02   0.994E+00 0.321E+01 -.163E+02   0.118E-02 -.193E-01 0.274E-01   -.743E-03 -.107E-02 0.282E-02
   -.889E+01 0.513E+01 0.146E+02   0.887E+01 -.512E+01 -.147E+02   0.270E-01 -.156E-01 0.456E-01   -.855E-03 0.497E-03 0.344E-02
   -.255E+02 0.526E+01 0.217E+02   0.257E+02 -.537E+01 -.217E+02   -.177E+00 0.103E+00 0.629E-01   -.505E-03 -.621E-03 0.392E-02
   -.192E+02 -.227E+02 0.355E+02   0.193E+02 0.229E+02 -.354E+02   -.372E-01 -.158E+00 -.132E+00   -.796E-03 -.288E-02 0.474E-02
   -.308E+01 -.167E+02 0.265E+02   0.310E+01 0.167E+02 -.265E+02   -.130E-01 -.422E-01 0.444E-01   -.299E-03 -.186E-02 0.415E-02
   0.163E+01 -.942E+00 0.207E+02   -.162E+01 0.938E+00 -.208E+02   -.147E-02 0.849E-03 0.204E-01   0.553E-03 -.317E-03 0.301E-02
   0.227E+01 0.245E+01 0.163E+02   -.228E+01 -.246E+01 -.163E+02   0.173E-01 0.863E-02 0.274E-01   0.554E-03 0.118E-02 0.282E-02
   -.400E+01 0.121E+01 0.176E+02   0.402E+01 -.124E+01 -.176E+02   -.138E-01 0.192E-01 0.320E-01   -.369E-03 -.343E-03 0.285E-02
   -.100E+02 -.521E+01 0.189E+02   0.101E+02 0.522E+01 -.189E+02   0.366E-02 -.169E-01 -.580E-01   -.257E-03 -.171E-02 0.372E-02
   -.520E+01 -.601E+01 0.234E+02   0.519E+01 0.603E+01 -.234E+02   0.111E-01 -.202E-01 -.417E-02   -.149E-03 -.204E-02 0.374E-02
 -----------------------------------------------------------------------------------------------
   -.181E-02 0.316E-03 -.123E+02   0.246E-12 -.409E-13 0.288E-12   -.179E-15 -.125E-15 0.121E+02   -.172E-07 -.117E-07 0.213E+00
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85349      6.06245     12.22645         0.000000      0.000000      0.007620
     -6.17342     10.69678      9.91309        -0.006502      0.003754     -0.003929
     11.11577      2.14020      9.91735        -0.008372      0.004449     -0.003539
      9.87913      4.28030      9.94364        -0.006929      0.005509     -0.000325
      8.64537      6.41997      9.94276        -0.007482      0.005488      0.000290
     -4.93670      8.55774      9.93276        -0.008542      0.003727     -0.004359
     -3.70259     10.69528      9.93276        -0.007498      0.005534     -0.004359
      1.23567      2.13780      9.94309        -0.009330      0.007293      0.003226
     -0.00516      4.27836     10.00408        -0.008403      0.001132      0.005709
     -1.24132      6.41662     10.01218        -0.007602      0.002645      0.003003
     -2.46671      8.55671      9.95892        -0.004793      0.002767     -0.002227
      4.93981      0.00175      9.94276        -0.008493      0.003736      0.000290
      3.70634      2.13489      9.95873        -0.007899      0.005352      0.001202
      2.47432      4.25439     10.08995        -0.008360      0.006163     -0.001122
      1.21736      6.42972     10.26005        -0.003615      0.002087      0.003004
     -0.00064      8.56555     10.01218        -0.006091      0.005261      0.003003
      7.40969      0.00311      9.94364        -0.008236      0.003246     -0.000325
      6.17532      2.14023      9.94453        -0.005744      0.002767     -0.004861
      4.94348      4.27844     10.00082        -0.007069      0.004081      0.005811
      3.72973      6.42882     10.08995        -0.009517      0.004158     -0.001122
      2.46923      8.56413     10.00408        -0.005182      0.006711      0.005709
      9.88140      0.00221      9.91735        -0.008039      0.005026     -0.003539
      8.64500      2.14137      9.92438        -0.007153      0.004130     -0.004916
      7.41114      4.28074      9.94453        -0.005268      0.003591     -0.004861
      6.18127      6.42161      9.95873        -0.008584      0.004164      0.001202
      4.94342      8.55981      9.94309        -0.010981      0.004433      0.003226
     -0.00041      1.42557      9.91735         0.008039     -0.005026     -0.003539
     -1.23645      3.56508      9.94309         0.010981     -0.004433      0.003226
     -2.47430      5.70328      9.95873         0.008584     -0.004164      0.001202
     -3.70417      7.84415      9.94453         0.005268     -0.003591     -0.004861
     -4.93803      9.98353      9.92438         0.007153     -0.004130     -0.004916
      2.47129      1.42466      9.94364         0.008236     -0.003246     -0.000325
      1.23775      3.56077     10.00408         0.005182     -0.006711      0.005709
     -0.02276      5.69607     10.08995         0.009517     -0.004158     -0.001122
     -1.23650      7.84645     10.00082         0.007069     -0.004081      0.005811
     -2.46834      9.98466      9.94453         0.005744     -0.002767     -0.004861
      4.94118      1.42603      9.94276         0.008493     -0.003736      0.000290
      3.70761      3.55935     10.01218         0.006091     -0.005261      0.003003
      2.48962      5.69518     10.26005         0.003615     -0.002087      0.003004
      1.23265      7.87051     10.08995         0.008360     -0.006163     -0.001122
      0.00064      9.99000      9.95873         0.007899     -0.005352      0.001202
      7.40957      1.42962      9.93276         0.007498     -0.005534     -0.004359
      6.17368      3.56818      9.95892         0.004793     -0.002767     -0.002227
      4.94830      5.70828     10.01218         0.007602     -0.002645      0.003003
      3.71214      7.84654     10.00408         0.008403     -0.001132      0.005709
      2.47130      9.98709      9.94309         0.009330     -0.007293      0.003226
      9.88040      1.42811      9.91309         0.006502     -0.003754     -0.003929
      8.64368      3.56716      9.93276         0.008542     -0.003727     -0.004359
      7.41259      5.70664      9.94276         0.007482     -0.005488      0.000290
      6.17883      7.84631      9.94364         0.006929     -0.005509     -0.000325
      4.94219      9.98641      9.91735         0.008372     -0.004449     -0.003539
 -----------------------------------------------------------------------------------
    total drift:                               -0.001812      0.000316      0.003819


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




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


    WAVPRE:  VPU time    1.57: CPU time    1.57
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.36: CPU time    1.35
    ORTHCH:  VPU time  148.72: CPU time   74.41
     LOOP+:  VPU time14462.78: CPU time 7457.76


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


    POTLOK:  VPU time    7.79: CPU time    7.62
    SETDIJ:  VPU time    0.27: CPU time    0.27
    EDDAV :  VPU time 1463.42: CPU time  746.29
 BZINTS: Fermi energy: -2.873277;210.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   89.35: CPU time   44.98
    MIXING:  VPU time    0.11: CPU time    0.11
    ------------------------------------------
      LOOP:  VPU time 1561.00: CPU time  799.30

 eigenvalue-minimisations  :  6068
 total energy-change (2. order) :-0.4631795E+03  (-0.4355693E-02)
 number of electron  210.0000059 magnetization    0.0000000
 augmentation part     8.0667102 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.72517E-02    rms(broyden)= 0.72482E-02
  rms(prec ) = 0.77933E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        92.65872319
  Ewald energy   TEWEN  =     33875.63286310
  -1/2 Hartree   DENC   =    -40800.94956017
  -V(xc)+E(xc)   XCENC  =       721.16389516
  PAW double counting   =      4068.47591923    -4105.01619731
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2401.67943618
  atomic energy  EATOM  =      8086.53425045
  ---------------------------------------------------
  free energy    TOTEN  =      -463.17954253 eV

  energy without entropy =     -463.17954253  energy(sigma->0) =     -463.17954253


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




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


    POTLOK:  VPU time    7.62: CPU time    7.62
    SETDIJ:  VPU time    0.27: CPU time    0.27
    EDDAV :  VPU time 1570.64: CPU time  802.58
 BZINTS: Fermi energy: -2.871439;210.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.12: CPU time   45.42
    MIXING:  VPU time    0.12: CPU time    0.12
    ------------------------------------------
      LOOP:  VPU time 1668.81: CPU time  856.04

 eigenvalue-minimisations  :  6648
 total energy-change (2. order) : 0.8128342E-05  (-0.1282490E-03)
 number of electron  210.0000059 magnetization    0.0000000
 augmentation part     8.0664342 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.50844E-02    rms(broyden)= 0.50841E-02
  rms(prec ) = 0.54286E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.2933
  2.2933

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        92.65872319
  Ewald energy   TEWEN  =     33875.63286310
  -1/2 Hartree   DENC   =    -40800.82910924
  -V(xc)+E(xc)   XCENC  =       721.15771489
  PAW double counting   =      4068.26152883    -4104.79975363
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2401.79575198
  atomic energy  EATOM  =      8086.53425045
  ---------------------------------------------------
  free energy    TOTEN  =      -463.17953440 eV

  energy without entropy =     -463.17953440  energy(sigma->0) =     -463.17953440


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




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


    POTLOK:  VPU time    7.62: CPU time    7.62
    SETDIJ:  VPU time    0.28: CPU time    0.27
    EDDAV :  VPU time 1305.65: CPU time  666.18
 BZINTS: Fermi energy: -2.867045;210.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1313.61: CPU time  674.10

 eigenvalue-minimisations  :  5170
 total energy-change (2. order) : 0.5136265E-04  (-0.2529222E-04)
 number of electron  210.0000059 magnetization    0.0000000
 augmentation part     8.0664342 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        92.65872319
  Ewald energy   TEWEN  =     33875.63286310
  -1/2 Hartree   DENC   =    -40800.66713729
  -V(xc)+E(xc)   XCENC  =       721.14784080
  PAW double counting   =      4067.90377863    -4104.44000927
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2401.94979265
  atomic energy  EATOM  =      8086.53425045
  ---------------------------------------------------
  free energy    TOTEN  =      -463.17948304 eV

  energy without entropy =     -463.17948304  energy(sigma->0) =     -463.17948304


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.6991
  (the norm of the test charge is              1.0000)
       1 -57.8808       2 -58.0678       3 -58.0599       4 -58.0650       5 -58.0612
       6 -58.0638       7 -58.0638       8 -58.0670       9 -58.0969      10 -58.0706
      11 -58.0737      12 -58.0612      13 -58.0672      14 -58.2025      15 -58.6708
      16 -58.0706      17 -58.0650      18 -58.0633      19 -58.0692      20 -58.2026
      21 -58.0970      22 -58.0599      23 -58.0617      24 -58.0633      25 -58.0672
      26 -58.0670      27 -58.0598      28 -58.0669      29 -58.0671      30 -58.0632
      31 -58.0616      32 -58.0649      33 -58.0969      34 -58.2025      35 -58.0692
      36 -58.0632      37 -58.0611      38 -58.0705      39 -58.6707      40 -58.2025
      41 -58.0671      42 -58.0637      43 -58.0736      44 -58.0705      45 -58.0969
      46 -58.0669      47 -58.0677      48 -58.0637      49 -58.0611      50 -58.0649
      51 -58.0598
 
 
 
 E-fermi :  -2.8670     XC(G=0):  -2.3277     alpha+bet : -1.9785
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.1438      1.00000
      2     -21.3022      1.00000
      3     -21.2009      1.00000
      4     -21.1886      1.00000
      5     -21.1874      1.00000
      6     -21.1677      1.00000
      7     -21.1673      1.00000
      8     -19.4470      1.00000
      9     -19.3672      1.00000
     10     -19.3647      1.00000
     11     -19.3539      1.00000
     12     -19.3360      1.00000
     13     -19.3323      1.00000
     14     -18.5409      1.00000
     15     -18.4803      1.00000
     16     -18.4734      1.00000
     17     -18.4462      1.00000
     18     -18.4446      1.00000
     19     -18.4358      1.00000
     20     -16.4053      1.00000
     21     -16.3255      1.00000
     22     -16.3238      1.00000
     23     -16.3088      1.00000
     24     -16.2998      1.00000
     25     -16.2969      1.00000
     26     -15.3738      1.00000
     27     -15.3390      1.00000
     28     -15.3053      1.00000
     29     -15.3018      1.00000
     30     -15.2855      1.00000
     31     -15.2843      1.00000
     32     -14.0321      1.00000
     33     -13.9947      1.00000
     34     -13.9710      1.00000
     35     -13.9646      1.00000
     36     -13.9544      1.00000
     37     -13.9410      1.00000
     38     -11.7526      1.00000
     39     -11.6395      1.00000
     40     -11.5993      1.00000
     41     -11.5932      1.00000
     42     -11.5904      1.00000
     43     -11.5877      1.00000
     44     -11.5008      1.00000
     45     -11.4993      1.00000
     46     -11.4796      1.00000
     47     -11.4603      1.00000
     48     -11.4579      1.00000
     49     -11.4544      1.00000
     50     -10.4075      1.00000
     51     -10.1476      1.00000
     52     -10.1343      1.00000
     53     -10.1110      1.00000
     54     -10.1023      1.00000
     55     -10.0947      1.00000
     56     -10.0644      1.00000
     57      -9.5567      1.00000
     58      -9.2102      1.00000
     59      -9.1650      1.00000
     60      -9.1243      1.00000
     61      -9.1058      1.00000
     62      -9.1038      1.00000
     63      -8.9278      1.00000
     64      -8.8539      1.00000
     65      -8.8519      1.00000
     66      -8.8389      1.00000
     67      -8.8295      1.00000
     68      -8.8054      1.00000
     69      -8.8044      1.00000
     70      -8.8005      1.00000
     71      -8.7952      1.00000
     72      -8.7787      1.00000
     73      -8.7586      1.00000
     74      -8.7571      1.00000
     75      -7.5278      1.00000
     76      -7.3233      1.00000
     77      -7.2637      1.00000
     78      -7.2300      1.00000
     79      -7.1762      1.00000
     80      -7.1711      1.00000
     81      -7.1478      1.00000
     82      -7.1478      1.00000
     83      -6.9963      1.00000
     84      -6.9905      1.00000
     85      -6.9873      1.00000
     86      -6.9778      1.00000
     87      -6.4146      1.00000
     88      -6.3747      1.00000
     89      -6.1618      1.00000
     90      -6.1290      1.00000
     91      -6.0990      1.00000
     92      -6.0968      1.00000
     93      -5.7141      1.00000
     94      -5.6880      1.00000
     95      -5.0843      1.00000
     96      -4.6975      1.00000
     97      -4.3183      1.00000
     98      -4.2615      1.00000
     99      -4.1374      1.00000
    100      -4.1361      1.00000
    101      -4.0517      1.00000
    102      -3.9281      1.00000
    103      -3.6006      1.00000
    104      -3.5086      1.00000
    105      -3.4908      1.00000
    106      -2.3371      0.00000
    107      -1.3437      0.00000
    108      -1.3313      0.00000
    109      -1.3218      0.00000
    110      -1.3210      0.00000
    111      -1.2466      0.00000
    112      -1.1959      0.00000
    113       0.3369      0.00000
    114       0.4230      0.00000
    115       0.4765      0.00000
    116       0.5083      0.00000
    117       0.5196      0.00000
    118       0.5206      0.00000
    119       0.7508      0.00000
    120       1.3452      0.00000
    121       1.3762      0.00000
    122       1.3854      0.00000
    123       1.6538      0.00000
    124       1.8781      0.00000
    125       1.8904      0.00000
    126       1.9034      0.00000
    127       2.0786      0.00000
    128       2.1172      0.00000
    129       2.2215      0.00000
    130       2.2245      0.00000
    131       2.2343      0.00000
    132       2.2376      0.00000
    133       2.2585      0.00000
    134       2.3744      0.00000
    135       2.4479      0.00000
    136       2.4876      0.00000
    137       2.6181      0.00000
    138       2.6426      0.00000
    139       2.6790      0.00000
    140       2.8352      0.00000
    141       2.9166      0.00000
    142       2.9196      0.00000
    143       3.0048      0.00000
    144       3.0062      0.00000
    145       3.0292      0.00000
    146       3.0387      0.00000
    147       3.4268      0.00000
    148       3.4644      0.00000
    149       3.5914      0.00000
    150       3.8793      0.00000
    151       3.8994      0.00000
    152       3.9224      0.00000
    153       3.9329      0.00000
    154       3.9714      0.00000
    155       4.0266      0.00000
    156       4.0665      0.00000
    157       4.2154      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.1067      1.00000
      2     -21.5466      1.00000
      3     -21.3671      1.00000
      4     -21.3346      1.00000
      5     -20.9968      1.00000
      6     -20.9612      1.00000
      7     -20.7874      1.00000
      8     -19.8946      1.00000
      9     -19.8562      1.00000
     10     -19.3469      1.00000
     11     -19.3156      1.00000
     12     -19.1491      1.00000
     13     -18.8254      1.00000
     14     -18.7902      1.00000
     15     -18.7769      1.00000
     16     -18.7649      1.00000
     17     -18.1014      1.00000
     18     -18.0755      1.00000
     19     -17.7531      1.00000
     20     -16.8136      1.00000
     21     -16.7581      1.00000
     22     -16.6860      1.00000
     23     -16.6750      1.00000
     24     -16.2128      1.00000
     25     -16.1930      1.00000
     26     -15.3576      1.00000
     27     -15.3351      1.00000
     28     -15.0058      1.00000
     29     -14.9674      1.00000
     30     -14.9106      1.00000
     31     -14.8330      1.00000
     32     -14.8050      1.00000
     33     -14.4422      1.00000
     34     -14.4247      1.00000
     35     -13.4796      1.00000
     36     -13.4542      1.00000
     37     -12.9777      1.00000
     38     -12.3722      1.00000
     39     -12.3240      1.00000
     40     -12.1938      1.00000
     41     -12.1763      1.00000
     42     -11.8806      1.00000
     43     -11.8411      1.00000
     44     -11.4719      1.00000
     45     -11.4161      1.00000
     46     -11.0032      1.00000
     47     -10.9723      1.00000
     48     -10.7796      1.00000
     49     -10.7441      1.00000
     50     -10.6773      1.00000
     51     -10.6387      1.00000
     52     -10.3050      1.00000
     53      -9.9023      1.00000
     54      -9.9005      1.00000
     55      -9.8534      1.00000
     56      -9.6910      1.00000
     57      -9.4741      1.00000
     58      -9.4463      1.00000
     59      -9.3803      1.00000
     60      -9.3557      1.00000
     61      -9.3137      1.00000
     62      -9.2681      1.00000
     63      -9.0625      1.00000
     64      -9.0459      1.00000
     65      -9.0012      1.00000
     66      -8.9511      1.00000
     67      -8.8869      1.00000
     68      -8.8528      1.00000
     69      -8.8404      1.00000
     70      -8.6807      1.00000
     71      -8.6140      1.00000
     72      -8.3686      1.00000
     73      -8.3391      1.00000
     74      -7.8597      1.00000
     75      -7.8160      1.00000
     76      -7.6390      1.00000
     77      -7.6026      1.00000
     78      -7.5052      1.00000
     79      -7.4958      1.00000
     80      -7.1539      1.00000
     81      -7.1314      1.00000
     82      -7.0974      1.00000
     83      -7.0533      1.00000
     84      -6.8585      1.00000
     85      -6.7655      1.00000
     86      -6.6324      1.00000
     87      -6.5390      1.00000
     88      -6.4260      1.00000
     89      -6.3691      1.00000
     90      -5.9208      1.00000
     91      -5.8875      1.00000
     92      -5.8783      1.00000
     93      -5.7531      1.00000
     94      -5.5419      1.00000
     95      -5.1421      1.00000
     96      -4.8115      1.00000
     97      -4.5216      1.00000
     98      -4.4351      1.00000
     99      -4.2603      1.00000
    100      -4.1741      1.00000
    101      -4.0538      1.00000
    102      -3.8894      1.00000
    103      -3.5668      1.00000
    104      -3.4943      1.00000
    105      -3.4640      1.00000
    106      -2.3531      0.00000
    107      -1.4915      0.00000
    108      -1.4244      0.00000
    109      -1.0723      0.00000
    110      -1.0446      0.00000
    111      -1.0222      0.00000
    112      -0.9880      0.00000
    113      -0.3677      0.00000
    114       0.0069      0.00000
    115       0.0431      0.00000
    116       0.7633      0.00000
    117       0.8558      0.00000
    118       0.9506      0.00000
    119       1.1026      0.00000
    120       1.2867      0.00000
    121       1.3442      0.00000
    122       1.4333      0.00000
    123       1.4666      0.00000
    124       1.5355      0.00000
    125       1.6951      0.00000
    126       1.7570      0.00000
    127       1.9511      0.00000
    128       1.9632      0.00000
    129       2.0817      0.00000
    130       2.1560      0.00000
    131       2.3176      0.00000
    132       2.3206      0.00000
    133       2.3455      0.00000
    134       2.4304      0.00000
    135       2.5604      0.00000
    136       2.7275      0.00000
    137       2.7539      0.00000
    138       2.7669      0.00000
    139       2.8218      0.00000
    140       2.9538      0.00000
    141       2.9745      0.00000
    142       3.0525      0.00000
    143       3.1044      0.00000
    144       3.1270      0.00000
    145       3.2638      0.00000
    146       3.2780      0.00000
    147       3.4202      0.00000
    148       3.4707      0.00000
    149       3.5419      0.00000
    150       3.6159      0.00000
    151       3.6508      0.00000
    152       3.7752      0.00000
    153       3.9260      0.00000
    154       3.9925      0.00000
    155       4.0609      0.00000
    156       4.0699      0.00000
    157       4.1281      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9974      1.00000
      2     -21.8008      1.00000
      3     -21.4429      1.00000
      4     -21.4092      1.00000
      5     -20.7034      1.00000
      6     -20.6650      1.00000
      7     -20.3415      1.00000
      8     -20.3025      1.00000
      9     -20.2922      1.00000
     10     -19.7616      1.00000
     11     -19.2429      1.00000
     12     -19.2085      1.00000
     13     -19.0447      1.00000
     14     -19.0241      1.00000
     15     -18.1826      1.00000
     16     -18.1393      1.00000
     17     -17.6687      1.00000
     18     -17.6379      1.00000
     19     -17.4940      1.00000
     20     -17.4548      1.00000
     21     -17.1794      1.00000
     22     -17.1571      1.00000
     23     -17.0769      1.00000
     24     -16.2095      1.00000
     25     -16.1878      1.00000
     26     -15.6939      1.00000
     27     -15.1603      1.00000
     28     -15.1361      1.00000
     29     -14.8439      1.00000
     30     -14.8207      1.00000
     31     -14.6098      1.00000
     32     -14.5754      1.00000
     33     -14.0294      1.00000
     34     -13.9932      1.00000
     35     -13.1865      1.00000
     36     -13.1418      1.00000
     37     -12.9345      1.00000
     38     -12.9055      1.00000
     39     -12.7130      1.00000
     40     -12.6983      1.00000
     41     -12.3738      1.00000
     42     -12.3433      1.00000
     43     -11.9456      1.00000
     44     -11.3393      1.00000
     45     -11.2728      1.00000
     46     -11.0686      1.00000
     47     -11.0209      1.00000
     48     -10.8953      1.00000
     49     -10.4531      1.00000
     50     -10.4086      1.00000
     51     -10.2266      1.00000
     52     -10.0611      1.00000
     53     -10.0501      1.00000
     54      -9.9319      1.00000
     55      -9.8601      1.00000
     56      -9.8470      1.00000
     57      -9.5552      1.00000
     58      -9.5186      1.00000
     59      -9.4699      1.00000
     60      -9.4397      1.00000
     61      -9.4240      1.00000
     62      -9.3872      1.00000
     63      -9.1079      1.00000
     64      -9.0933      1.00000
     65      -9.0576      1.00000
     66      -8.7928      1.00000
     67      -8.7079      1.00000
     68      -8.6158      1.00000
     69      -8.5459      1.00000
     70      -8.3506      1.00000
     71      -8.2701      1.00000
     72      -8.1408      1.00000
     73      -8.1252      1.00000
     74      -8.0810      1.00000
     75      -8.0210      1.00000
     76      -8.0037      1.00000
     77      -7.9910      1.00000
     78      -7.9712      1.00000
     79      -7.5405      1.00000
     80      -7.1497      1.00000
     81      -7.1114      1.00000
     82      -7.0962      1.00000
     83      -6.9999      1.00000
     84      -6.9674      1.00000
     85      -6.7338      1.00000
     86      -6.7246      1.00000
     87      -6.3779      1.00000
     88      -6.3157      1.00000
     89      -6.0518      1.00000
     90      -5.9928      1.00000
     91      -5.8126      1.00000
     92      -5.5975      1.00000
     93      -5.4666      1.00000
     94      -5.2944      1.00000
     95      -5.1355      1.00000
     96      -5.0614      1.00000
     97      -4.9713      1.00000
     98      -4.9655      1.00000
     99      -4.3857      1.00000
    100      -4.1404      1.00000
    101      -4.0899      1.00000
    102      -3.8393      1.00000
    103      -3.6086      1.00000
    104      -3.4150      1.00000
    105      -3.3909      1.00000
    106      -2.3684      0.00000
    107      -1.5856      0.00000
    108      -1.4903      0.00000
    109      -0.8843      0.00000
    110      -0.7622      0.00000
    111      -0.7350      0.00000
    112      -0.4000      0.00000
    113      -0.3717      0.00000
    114      -0.3631      0.00000
    115      -0.3502      0.00000
    116       0.4072      0.00000
    117       0.4727      0.00000
    118       0.8218      0.00000
    119       1.1170      0.00000
    120       1.1427      0.00000
    121       1.3786      0.00000
    122       1.4879      0.00000
    123       1.5183      0.00000
    124       1.6651      0.00000
    125       1.7831      0.00000
    126       1.8119      0.00000
    127       1.8399      0.00000
    128       1.9339      0.00000
    129       2.1100      0.00000
    130       2.1265      0.00000
    131       2.1780      0.00000
    132       2.4450      0.00000
    133       2.4890      0.00000
    134       2.5982      0.00000
    135       2.6549      0.00000
    136       2.6976      0.00000
    137       2.7472      0.00000
    138       2.8955      0.00000
    139       2.9520      0.00000
    140       3.0231      0.00000
    141       3.1227      0.00000
    142       3.2276      0.00000
    143       3.2424      0.00000
    144       3.4313      0.00000
    145       3.4382      0.00000
    146       3.4542      0.00000
    147       3.5156      0.00000
    148       3.5911      0.00000
    149       3.6694      0.00000
    150       3.6861      0.00000
    151       3.7181      0.00000
    152       3.7845      0.00000
    153       3.8462      0.00000
    154       3.9121      0.00000
    155       3.9511      0.00000
    156       3.9856      0.00000
    157       4.1288      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0332      1.00000
      2     -21.6727      1.00000
      3     -21.6308      1.00000
      4     -21.1015      1.00000
      5     -21.0811      1.00000
      6     -20.5547      1.00000
      7     -20.5130      1.00000
      8     -20.3500      1.00000
      9     -19.8013      1.00000
     10     -19.8010      1.00000
     11     -19.4448      1.00000
     12     -19.4249      1.00000
     13     -18.7234      1.00000
     14     -18.7213      1.00000
     15     -18.3716      1.00000
     16     -18.3600      1.00000
     17     -18.1905      1.00000
     18     -17.4205      1.00000
     19     -17.3592      1.00000
     20     -17.3438      1.00000
     21     -17.3219      1.00000
     22     -16.8554      1.00000
     23     -16.8408      1.00000
     24     -16.6997      1.00000
     25     -15.7359      1.00000
     26     -15.6695      1.00000
     27     -15.3224      1.00000
     28     -15.3091      1.00000
     29     -15.0347      1.00000
     30     -14.6004      1.00000
     31     -14.5678      1.00000
     32     -14.3182      1.00000
     33     -14.2814      1.00000
     34     -13.9024      1.00000
     35     -13.8999      1.00000
     36     -12.8873      1.00000
     37     -12.8235      1.00000
     38     -12.7856      1.00000
     39     -12.7618      1.00000
     40     -12.4530      1.00000
     41     -12.4493      1.00000
     42     -12.0678      1.00000
     43     -12.0503      1.00000
     44     -11.4201      1.00000
     45     -11.3736      1.00000
     46     -11.3039      1.00000
     47     -10.7125      1.00000
     48     -10.6596      1.00000
     49     -10.4023      1.00000
     50     -10.3779      1.00000
     51     -10.2486      1.00000
     52     -10.2424      1.00000
     53     -10.1880      1.00000
     54     -10.1863      1.00000
     55     -10.0922      1.00000
     56      -9.8129      1.00000
     57      -9.6494      1.00000
     58      -9.3568      1.00000
     59      -9.2979      1.00000
     60      -9.2601      1.00000
     61      -9.1507      1.00000
     62      -9.1367      1.00000
     63      -9.1171      1.00000
     64      -9.0717      1.00000
     65      -9.0372      1.00000
     66      -8.9309      1.00000
     67      -8.8949      1.00000
     68      -8.8449      1.00000
     69      -8.6090      1.00000
     70      -8.5973      1.00000
     71      -8.4738      1.00000
     72      -8.3482      1.00000
     73      -8.1945      1.00000
     74      -7.9550      1.00000
     75      -7.9145      1.00000
     76      -7.6814      1.00000
     77      -7.6116      1.00000
     78      -7.5757      1.00000
     79      -7.5716      1.00000
     80      -7.4577      1.00000
     81      -7.4477      1.00000
     82      -7.2052      1.00000
     83      -7.1450      1.00000
     84      -6.6842      1.00000
     85      -6.6552      1.00000
     86      -6.5644      1.00000
     87      -6.4259      1.00000
     88      -6.1940      1.00000
     89      -6.1231      1.00000
     90      -6.0589      1.00000
     91      -5.9637      1.00000
     92      -5.7954      1.00000
     93      -5.4172      1.00000
     94      -5.2394      1.00000
     95      -5.2036      1.00000
     96      -5.1111      1.00000
     97      -4.9671      1.00000
     98      -4.5238      1.00000
     99      -4.4604      1.00000
    100      -4.1326      1.00000
    101      -4.0949      1.00000
    102      -3.9718      1.00000
    103      -3.5987      1.00000
    104      -3.5447      1.00000
    105      -3.1072      1.00000
    106      -2.4565      0.00000
    107      -1.8217      0.00000
    108      -1.0132      0.00000
    109      -0.9632      0.00000
    110      -0.9308      0.00000
    111      -0.6870      0.00000
    112      -0.6831      0.00000
    113      -0.5514      0.00000
    114      -0.5505      0.00000
    115       0.4337      0.00000
    116       0.4421      0.00000
    117       0.5257      0.00000
    118       0.7934      0.00000
    119       1.0121      0.00000
    120       1.0887      0.00000
    121       1.2481      0.00000
    122       1.2820      0.00000
    123       1.6056      0.00000
    124       1.6556      0.00000
    125       1.6986      0.00000
    126       1.8236      0.00000
    127       2.0195      0.00000
    128       2.0378      0.00000
    129       2.0555      0.00000
    130       2.2379      0.00000
    131       2.2710      0.00000
    132       2.3704      0.00000
    133       2.5154      0.00000
    134       2.5674      0.00000
    135       2.6744      0.00000
    136       2.7585      0.00000
    137       2.8023      0.00000
    138       2.8498      0.00000
    139       2.8555      0.00000
    140       3.0917      0.00000
    141       3.1023      0.00000
    142       3.1479      0.00000
    143       3.1570      0.00000
    144       3.2306      0.00000
    145       3.2981      0.00000
    146       3.3961      0.00000
    147       3.4393      0.00000
    148       3.5536      0.00000
    149       3.5915      0.00000
    150       3.7090      0.00000
    151       3.7512      0.00000
    152       3.8314      0.00000
    153       3.9212      0.00000
    154       3.9419      0.00000
    155       3.9674      0.00000
    156       3.9850      0.00000
    157       4.1006      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9135      1.00000
      2     -21.8493      1.00000
      3     -21.6850      1.00000
      4     -21.1293      1.00000
      5     -20.7774      1.00000
      6     -20.7364      1.00000
      7     -20.2290      1.00000
      8     -20.1836      1.00000
      9     -20.0307      1.00000
     10     -19.9991      1.00000
     11     -19.6796      1.00000
     12     -19.6260      1.00000
     13     -18.6089      1.00000
     14     -18.5492      1.00000
     15     -18.0943      1.00000
     16     -18.0283      1.00000
     17     -17.8927      1.00000
     18     -17.8627      1.00000
     19     -17.5655      1.00000
     20     -17.5143      1.00000
     21     -16.9989      1.00000
     22     -16.9714      1.00000
     23     -16.9042      1.00000
     24     -16.8662      1.00000
     25     -15.8342      1.00000
     26     -15.6293      1.00000
     27     -15.5985      1.00000
     28     -15.5645      1.00000
     29     -14.9819      1.00000
     30     -14.3047      1.00000
     31     -14.2587      1.00000
     32     -14.0257      1.00000
     33     -13.7050      1.00000
     34     -13.6944      1.00000
     35     -13.5652      1.00000
     36     -13.5455      1.00000
     37     -13.3625      1.00000
     38     -13.3014      1.00000
     39     -13.0950      1.00000
     40     -12.3603      1.00000
     41     -11.9535      1.00000
     42     -11.8691      1.00000
     43     -11.8102      1.00000
     44     -11.7565      1.00000
     45     -11.4322      1.00000
     46     -11.3966      1.00000
     47     -10.9115      1.00000
     48     -10.8575      1.00000
     49     -10.5555      1.00000
     50     -10.4720      1.00000
     51     -10.1852      1.00000
     52      -9.9646      1.00000
     53      -9.9407      1.00000
     54      -9.9023      1.00000
     55      -9.7620      1.00000
     56      -9.7601      1.00000
     57      -9.7147      1.00000
     58      -9.5617      1.00000
     59      -9.5381      1.00000
     60      -9.5139      1.00000
     61      -9.5028      1.00000
     62      -9.2059      1.00000
     63      -9.1128      1.00000
     64      -8.8586      1.00000
     65      -8.8166      1.00000
     66      -8.7767      1.00000
     67      -8.6672      1.00000
     68      -8.6080      1.00000
     69      -8.4705      1.00000
     70      -8.4397      1.00000
     71      -8.3301      1.00000
     72      -8.2810      1.00000
     73      -8.2296      1.00000
     74      -8.2046      1.00000
     75      -8.1145      1.00000
     76      -7.9746      1.00000
     77      -7.8407      1.00000
     78      -7.7685      1.00000
     79      -7.6575      1.00000
     80      -7.5130      1.00000
     81      -7.3619      1.00000
     82      -7.2763      1.00000
     83      -6.7769      1.00000
     84      -6.6863      1.00000
     85      -6.6310      1.00000
     86      -6.5487      1.00000
     87      -6.3210      1.00000
     88      -6.2337      1.00000
     89      -6.1685      1.00000
     90      -5.9960      1.00000
     91      -5.7440      1.00000
     92      -5.5787      1.00000
     93      -5.5356      1.00000
     94      -5.3484      1.00000
     95      -5.1828      1.00000
     96      -5.0054      1.00000
     97      -4.9750      1.00000
     98      -4.9639      1.00000
     99      -4.5586      1.00000
    100      -4.1343      1.00000
    101      -4.0861      1.00000
    102      -3.9644      1.00000
    103      -3.6199      1.00000
    104      -3.5732      1.00000
    105      -2.9295      1.00000
    106      -2.4588      0.00000
    107      -2.0156      0.00000
    108      -0.9666      0.00000
    109      -0.9303      0.00000
    110      -0.9086      0.00000
    111      -0.8732      0.00000
    112      -0.2455      0.00000
    113      -0.2335      0.00000
    114      -0.0767      0.00000
    115      -0.0573      0.00000
    116       0.1929      0.00000
    117       0.2570      0.00000
    118       0.7396      0.00000
    119       0.8343      0.00000
    120       0.8901      0.00000
    121       1.0508      0.00000
    122       1.3009      0.00000
    123       1.5676      0.00000
    124       1.6644      0.00000
    125       1.7702      0.00000
    126       1.9494      0.00000
    127       2.0502      0.00000
    128       2.0865      0.00000
    129       2.1580      0.00000
    130       2.3009      0.00000
    131       2.3425      0.00000
    132       2.4891      0.00000
    133       2.5172      0.00000
    134       2.7164      0.00000
    135       2.7411      0.00000
    136       2.9566      0.00000
    137       2.9597      0.00000
    138       2.9921      0.00000
    139       3.0578      0.00000
    140       3.0895      0.00000
    141       3.1451      0.00000
    142       3.1592      0.00000
    143       3.1922      0.00000
    144       3.2578      0.00000
    145       3.4019      0.00000
    146       3.4197      0.00000
    147       3.4350      0.00000
    148       3.4548      0.00000
    149       3.5383      0.00000
    150       3.5896      0.00000
    151       3.6045      0.00000
    152       3.6433      0.00000
    153       3.6847      0.00000
    154       3.8271      0.00000
    155       3.9034      0.00000
    156       3.9324      0.00000
    157       4.0078      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0327      1.00000
      2     -21.6798      1.00000
      3     -21.6238      1.00000
      4     -21.1114      1.00000
      5     -21.0706      1.00000
      6     -20.5614      1.00000
      7     -20.5067      1.00000
      8     -20.3495      1.00000
      9     -19.8230      1.00000
     10     -19.7812      1.00000
     11     -19.4524      1.00000
     12     -19.4155      1.00000
     13     -18.7457      1.00000
     14     -18.7012      1.00000
     15     -18.3888      1.00000
     16     -18.3418      1.00000
     17     -18.1915      1.00000
     18     -17.4105      1.00000
     19     -17.3665      1.00000
     20     -17.3398      1.00000
     21     -17.3160      1.00000
     22     -16.8803      1.00000
     23     -16.8244      1.00000
     24     -16.7074      1.00000
     25     -15.7542      1.00000
     26     -15.6474      1.00000
     27     -15.3405      1.00000
     28     -15.3004      1.00000
     29     -15.0119      1.00000
     30     -14.6271      1.00000
     31     -14.5585      1.00000
     32     -14.3135      1.00000
     33     -14.2761      1.00000
     34     -13.9053      1.00000
     35     -13.8933      1.00000
     36     -12.9297      1.00000
     37     -12.8237      1.00000
     38     -12.7664      1.00000
     39     -12.7532      1.00000
     40     -12.4755      1.00000
     41     -12.4281      1.00000
     42     -12.0689      1.00000
     43     -12.0533      1.00000
     44     -11.3941      1.00000
     45     -11.3643      1.00000
     46     -11.3017      1.00000
     47     -10.6925      1.00000
     48     -10.6739      1.00000
     49     -10.4807      1.00000
     50     -10.3338      1.00000
     51     -10.3097      1.00000
     52     -10.2385      1.00000
     53     -10.1979      1.00000
     54     -10.1453      1.00000
     55     -10.0888      1.00000
     56      -9.8086      1.00000
     57      -9.6447      1.00000
     58      -9.3719      1.00000
     59      -9.2923      1.00000
     60      -9.2194      1.00000
     61      -9.1711      1.00000
     62      -9.1428      1.00000
     63      -9.1137      1.00000
     64      -9.0730      1.00000
     65      -9.0231      1.00000
     66      -8.9127      1.00000
     67      -8.8696      1.00000
     68      -8.8515      1.00000
     69      -8.6153      1.00000
     70      -8.6044      1.00000
     71      -8.4866      1.00000
     72      -8.3383      1.00000
     73      -8.2299      1.00000
     74      -7.9498      1.00000
     75      -7.9218      1.00000
     76      -7.7228      1.00000
     77      -7.6118      1.00000
     78      -7.5715      1.00000
     79      -7.5145      1.00000
     80      -7.4672      1.00000
     81      -7.4277      1.00000
     82      -7.2362      1.00000
     83      -7.1131      1.00000
     84      -6.7111      1.00000
     85      -6.6639      1.00000
     86      -6.5746      1.00000
     87      -6.3734      1.00000
     88      -6.1653      1.00000
     89      -6.1162      1.00000
     90      -6.0577      1.00000
     91      -5.9475      1.00000
     92      -5.8636      1.00000
     93      -5.5647      1.00000
     94      -5.3418      1.00000
     95      -5.1339      1.00000
     96      -4.9738      1.00000
     97      -4.8332      1.00000
     98      -4.5806      1.00000
     99      -4.4923      1.00000
    100      -4.1635      1.00000
    101      -4.0358      1.00000
    102      -3.9059      1.00000
    103      -3.6459      1.00000
    104      -3.5796      1.00000
    105      -3.2360      1.00000
    106      -2.2819      0.00000
    107      -1.8824      0.00000
    108      -1.0448      0.00000
    109      -0.9637      0.00000
    110      -0.9322      0.00000
    111      -0.6875      0.00000
    112      -0.6479      0.00000
    113      -0.5542      0.00000
    114      -0.5356      0.00000
    115       0.3400      0.00000
    116       0.4655      0.00000
    117       0.5217      0.00000
    118       0.8077      0.00000
    119       1.0734      0.00000
    120       1.1131      0.00000
    121       1.1711      0.00000
    122       1.3282      0.00000
    123       1.6012      0.00000
    124       1.6356      0.00000
    125       1.6940      0.00000
    126       1.8265      0.00000
    127       2.0185      0.00000
    128       2.0371      0.00000
    129       2.0526      0.00000
    130       2.2446      0.00000
    131       2.3082      0.00000
    132       2.3797      0.00000
    133       2.5115      0.00000
    134       2.5321      0.00000
    135       2.6777      0.00000
    136       2.7711      0.00000
    137       2.8107      0.00000
    138       2.8288      0.00000
    139       2.8675      0.00000
    140       3.0637      0.00000
    141       3.0972      0.00000
    142       3.1425      0.00000
    143       3.1645      0.00000
    144       3.2372      0.00000
    145       3.3005      0.00000
    146       3.4060      0.00000
    147       3.4615      0.00000
    148       3.5417      0.00000
    149       3.5727      0.00000
    150       3.7247      0.00000
    151       3.7522      0.00000
    152       3.8182      0.00000
    153       3.9348      0.00000
    154       3.9401      0.00000
    155       3.9691      0.00000
    156       3.9887      0.00000
    157       4.0811      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1066      1.00000
      2     -21.5487      1.00000
      3     -21.3617      1.00000
      4     -21.3373      1.00000
      5     -20.9954      1.00000
      6     -20.9646      1.00000
      7     -20.7858      1.00000
      8     -19.8925      1.00000
      9     -19.8590      1.00000
     10     -19.3476      1.00000
     11     -19.3174      1.00000
     12     -19.1440      1.00000
     13     -18.8335      1.00000
     14     -18.7930      1.00000
     15     -18.7719      1.00000
     16     -18.7615      1.00000
     17     -18.1016      1.00000
     18     -18.0778      1.00000
     19     -17.7480      1.00000
     20     -16.8048      1.00000
     21     -16.7618      1.00000
     22     -16.6926      1.00000
     23     -16.6727      1.00000
     24     -16.2264      1.00000
     25     -16.1921      1.00000
     26     -15.3497      1.00000
     27     -15.3279      1.00000
     28     -14.9787      1.00000
     29     -14.9674      1.00000
     30     -14.9388      1.00000
     31     -14.8455      1.00000
     32     -14.7977      1.00000
     33     -14.4432      1.00000
     34     -14.4219      1.00000
     35     -13.4788      1.00000
     36     -13.4507      1.00000
     37     -12.9795      1.00000
     38     -12.4101      1.00000
     39     -12.3124      1.00000
     40     -12.1920      1.00000
     41     -12.1787      1.00000
     42     -11.8535      1.00000
     43     -11.8357      1.00000
     44     -11.4602      1.00000
     45     -11.4149      1.00000
     46     -11.0526      1.00000
     47     -10.9602      1.00000
     48     -10.7645      1.00000
     49     -10.7406      1.00000
     50     -10.6695      1.00000
     51     -10.6280      1.00000
     52     -10.3332      1.00000
     53      -9.9772      1.00000
     54      -9.8840      1.00000
     55      -9.8282      1.00000
     56      -9.6608      1.00000
     57      -9.4402      1.00000
     58      -9.4356      1.00000
     59      -9.4005      1.00000
     60      -9.3719      1.00000
     61      -9.3044      1.00000
     62      -9.2611      1.00000
     63      -9.0761      1.00000
     64      -9.0378      1.00000
     65      -8.9922      1.00000
     66      -8.9783      1.00000
     67      -8.8670      1.00000
     68      -8.8594      1.00000
     69      -8.8449      1.00000
     70      -8.6818      1.00000
     71      -8.6142      1.00000
     72      -8.3435      1.00000
     73      -8.3399      1.00000
     74      -7.9087      1.00000
     75      -7.8061      1.00000
     76      -7.6521      1.00000
     77      -7.5655      1.00000
     78      -7.5337      1.00000
     79      -7.4870      1.00000
     80      -7.2317      1.00000
     81      -7.0532      1.00000
     82      -7.0345      1.00000
     83      -7.0000      1.00000
     84      -6.9641      1.00000
     85      -6.7533      1.00000
     86      -6.6418      1.00000
     87      -6.5118      1.00000
     88      -6.4516      1.00000
     89      -6.3730      1.00000
     90      -5.9430      1.00000
     91      -5.8620      1.00000
     92      -5.8437      1.00000
     93      -5.7158      1.00000
     94      -5.6742      1.00000
     95      -5.1355      1.00000
     96      -4.6945      1.00000
     97      -4.5864      1.00000
     98      -4.4318      1.00000
     99      -4.2379      1.00000
    100      -4.2193      1.00000
    101      -3.8940      1.00000
    102      -3.8541      1.00000
    103      -3.7663      1.00000
    104      -3.5128      1.00000
    105      -3.4677      1.00000
    106      -2.2808      0.00000
    107      -1.5004      0.00000
    108      -1.4425      0.00000
    109      -1.0866      0.00000
    110      -1.0584      0.00000
    111      -1.0381      0.00000
    112      -0.9486      0.00000
    113      -0.3327      0.00000
    114      -0.0078      0.00000
    115       0.0176      0.00000
    116       0.7430      0.00000
    117       0.8744      0.00000
    118       0.9158      0.00000
    119       1.1720      0.00000
    120       1.2936      0.00000
    121       1.3866      0.00000
    122       1.3899      0.00000
    123       1.4274      0.00000
    124       1.5393      0.00000
    125       1.6973      0.00000
    126       1.7535      0.00000
    127       1.9350      0.00000
    128       1.9667      0.00000
    129       2.1220      0.00000
    130       2.1329      0.00000
    131       2.3212      0.00000
    132       2.3321      0.00000
    133       2.3529      0.00000
    134       2.4255      0.00000
    135       2.5664      0.00000
    136       2.7296      0.00000
    137       2.7494      0.00000
    138       2.7663      0.00000
    139       2.8001      0.00000
    140       2.9222      0.00000
    141       2.9683      0.00000
    142       3.0719      0.00000
    143       3.1367      0.00000
    144       3.1702      0.00000
    145       3.2501      0.00000
    146       3.2716      0.00000
    147       3.4037      0.00000
    148       3.4355      0.00000
    149       3.5479      0.00000
    150       3.6288      0.00000
    151       3.6464      0.00000
    152       3.7648      0.00000
    153       3.9399      0.00000
    154       3.9522      0.00000
    155       4.0608      0.00000
    156       4.0813      0.00000
    157       4.1914      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9089      1.00000
      2     -21.8560      1.00000
      3     -21.6828      1.00000
      4     -21.1295      1.00000
      5     -20.7667      1.00000
      6     -20.7471      1.00000
      7     -20.2180      1.00000
      8     -20.1952      1.00000
      9     -20.0162      1.00000
     10     -20.0146      1.00000
     11     -19.6715      1.00000
     12     -19.6325      1.00000
     13     -18.6074      1.00000
     14     -18.5557      1.00000
     15     -18.0648      1.00000
     16     -18.0483      1.00000
     17     -17.8824      1.00000
     18     -17.8771      1.00000
     19     -17.5464      1.00000
     20     -17.5310      1.00000
     21     -17.0024      1.00000
     22     -16.9743      1.00000
     23     -16.8953      1.00000
     24     -16.8690      1.00000
     25     -15.8569      1.00000
     26     -15.6045      1.00000
     27     -15.5983      1.00000
     28     -15.5792      1.00000
     29     -14.9660      1.00000
     30     -14.2893      1.00000
     31     -14.2711      1.00000
     32     -14.0118      1.00000
     33     -13.7348      1.00000
     34     -13.6969      1.00000
     35     -13.5599      1.00000
     36     -13.5496      1.00000
     37     -13.3436      1.00000
     38     -13.3130      1.00000
     39     -13.0974      1.00000
     40     -12.3781      1.00000
     41     -11.9134      1.00000
     42     -11.8904      1.00000
     43     -11.7905      1.00000
     44     -11.7587      1.00000
     45     -11.4214      1.00000
     46     -11.4119      1.00000
     47     -10.9078      1.00000
     48     -10.8758      1.00000
     49     -10.5377      1.00000
     50     -10.4736      1.00000
     51     -10.2203      1.00000
     52      -9.9492      1.00000
     53      -9.9375      1.00000
     54      -9.9190      1.00000
     55      -9.7767      1.00000
     56      -9.7317      1.00000
     57      -9.7130      1.00000
     58      -9.5751      1.00000
     59      -9.5361      1.00000
     60      -9.5145      1.00000
     61      -9.4996      1.00000
     62      -9.2012      1.00000
     63      -9.1126      1.00000
     64      -8.8463      1.00000
     65      -8.8031      1.00000
     66      -8.7517      1.00000
     67      -8.7054      1.00000
     68      -8.5993      1.00000
     69      -8.4546      1.00000
     70      -8.4437      1.00000
     71      -8.3149      1.00000
     72      -8.2938      1.00000
     73      -8.2123      1.00000
     74      -8.2066      1.00000
     75      -8.0855      1.00000
     76      -8.0456      1.00000
     77      -7.8393      1.00000
     78      -7.8026      1.00000
     79      -7.6934      1.00000
     80      -7.4372      1.00000
     81      -7.3666      1.00000
     82      -7.2573      1.00000
     83      -6.8211      1.00000
     84      -6.7055      1.00000
     85      -6.6246      1.00000
     86      -6.3842      1.00000
     87      -6.3110      1.00000
     88      -6.2674      1.00000
     89      -6.2052      1.00000
     90      -6.1276      1.00000
     91      -5.7514      1.00000
     92      -5.5582      1.00000
     93      -5.5185      1.00000
     94      -5.3693      1.00000
     95      -5.1648      1.00000
     96      -4.9921      1.00000
     97      -4.9784      1.00000
     98      -4.9406      1.00000
     99      -4.5048      1.00000
    100      -4.1358      1.00000
    101      -4.0667      1.00000
    102      -3.9837      1.00000
    103      -3.6353      1.00000
    104      -3.5949      1.00000
    105      -3.0509      1.00000
    106      -2.2002      0.00000
    107      -2.1608      0.00000
    108      -0.9278      0.00000
    109      -0.9262      0.00000
    110      -0.9151      0.00000
    111      -0.9063      0.00000
    112      -0.2413      0.00000
    113      -0.2338      0.00000
    114      -0.0945      0.00000
    115      -0.0715      0.00000
    116       0.2352      0.00000
    117       0.2441      0.00000
    118       0.7152      0.00000
    119       0.8163      0.00000
    120       0.9467      0.00000
    121       1.0253      0.00000
    122       1.2808      0.00000
    123       1.5959      0.00000
    124       1.6408      0.00000
    125       1.7748      0.00000
    126       1.9559      0.00000
    127       2.0472      0.00000
    128       2.0755      0.00000
    129       2.1499      0.00000
    130       2.3078      0.00000
    131       2.3836      0.00000
    132       2.4867      0.00000
    133       2.5131      0.00000
    134       2.7103      0.00000
    135       2.8279      0.00000
    136       2.9213      0.00000
    137       2.9537      0.00000
    138       2.9892      0.00000
    139       3.0246      0.00000
    140       3.0885      0.00000
    141       3.1234      0.00000
    142       3.1764      0.00000
    143       3.1935      0.00000
    144       3.2779      0.00000
    145       3.3784      0.00000
    146       3.4093      0.00000
    147       3.4380      0.00000
    148       3.4751      0.00000
    149       3.5037      0.00000
    150       3.5937      0.00000
    151       3.6057      0.00000
    152       3.6374      0.00000
    153       3.6590      0.00000
    154       3.8267      0.00000
    155       3.9449      0.00000
    156       3.9545      0.00000
    157       4.1588      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9963      1.00000
      2     -21.8034      1.00000
      3     -21.4383      1.00000
      4     -21.4121      1.00000
      5     -20.7008      1.00000
      6     -20.6680      1.00000
      7     -20.3312      1.00000
      8     -20.3065      1.00000
      9     -20.2986      1.00000
     10     -19.7621      1.00000
     11     -19.2394      1.00000
     12     -19.2091      1.00000
     13     -19.0457      1.00000
     14     -19.0285      1.00000
     15     -18.1741      1.00000
     16     -18.1420      1.00000
     17     -17.6669      1.00000
     18     -17.6405      1.00000
     19     -17.4909      1.00000
     20     -17.4564      1.00000
     21     -17.1811      1.00000
     22     -17.1567      1.00000
     23     -17.0726      1.00000
     24     -16.2256      1.00000
     25     -16.1873      1.00000
     26     -15.7030      1.00000
     27     -15.1522      1.00000
     28     -15.1301      1.00000
     29     -14.8413      1.00000
     30     -14.8161      1.00000
     31     -14.5863      1.00000
     32     -14.5767      1.00000
     33     -14.0559      1.00000
     34     -13.9857      1.00000
     35     -13.2142      1.00000
     36     -13.1327      1.00000
     37     -12.9280      1.00000
     38     -12.9015      1.00000
     39     -12.7252      1.00000
     40     -12.7022      1.00000
     41     -12.3631      1.00000
     42     -12.3397      1.00000
     43     -11.9455      1.00000
     44     -11.3194      1.00000
     45     -11.2691      1.00000
     46     -11.0530      1.00000
     47     -11.0147      1.00000
     48     -10.9034      1.00000
     49     -10.5268      1.00000
     50     -10.4021      1.00000
     51     -10.2231      1.00000
     52     -10.0522      1.00000
     53     -10.0516      1.00000
     54      -9.9411      1.00000
     55      -9.8648      1.00000
     56      -9.8290      1.00000
     57      -9.5777      1.00000
     58      -9.4862      1.00000
     59      -9.4573      1.00000
     60      -9.4434      1.00000
     61      -9.4358      1.00000
     62      -9.3848      1.00000
     63      -9.1095      1.00000
     64      -9.0876      1.00000
     65      -9.0602      1.00000
     66      -8.7415      1.00000
     67      -8.7057      1.00000
     68      -8.6538      1.00000
     69      -8.5254      1.00000
     70      -8.3345      1.00000
     71      -8.2824      1.00000
     72      -8.1749      1.00000
     73      -8.1340      1.00000
     74      -8.0434      1.00000
     75      -8.0322      1.00000
     76      -8.0032      1.00000
     77      -7.9859      1.00000
     78      -7.9722      1.00000
     79      -7.5666      1.00000
     80      -7.3178      1.00000
     81      -7.0845      1.00000
     82      -7.0076      1.00000
     83      -6.9395      1.00000
     84      -6.8812      1.00000
     85      -6.7449      1.00000
     86      -6.6947      1.00000
     87      -6.3653      1.00000
     88      -6.3377      1.00000
     89      -6.2402      1.00000
     90      -6.0263      1.00000
     91      -5.6980      1.00000
     92      -5.6115      1.00000
     93      -5.4655      1.00000
     94      -5.3781      1.00000
     95      -5.0815      1.00000
     96      -5.0387      1.00000
     97      -4.9768      1.00000
     98      -4.9452      1.00000
     99      -4.2191      1.00000
    100      -4.2082      1.00000
    101      -4.0063      1.00000
    102      -3.8655      1.00000
    103      -3.6666      1.00000
    104      -3.5632      1.00000
    105      -3.4124      1.00000
    106      -2.2345      0.00000
    107      -1.5886      0.00000
    108      -1.5335      0.00000
    109      -0.8433      0.00000
    110      -0.7733      0.00000
    111      -0.7528      0.00000
    112      -0.4023      0.00000
    113      -0.4014      0.00000
    114      -0.3553      0.00000
    115      -0.3435      0.00000
    116       0.4179      0.00000
    117       0.4760      0.00000
    118       0.8143      0.00000
    119       1.1288      0.00000
    120       1.1432      0.00000
    121       1.3062      0.00000
    122       1.4879      0.00000
    123       1.5154      0.00000
    124       1.6839      0.00000
    125       1.7673      0.00000
    126       1.8166      0.00000
    127       1.8424      0.00000
    128       1.9831      0.00000
    129       2.0550      0.00000
    130       2.1314      0.00000
    131       2.2698      0.00000
    132       2.4750      0.00000
    133       2.4925      0.00000
    134       2.5875      0.00000
    135       2.6541      0.00000
    136       2.6923      0.00000
    137       2.7499      0.00000
    138       2.9009      0.00000
    139       2.9166      0.00000
    140       3.0193      0.00000
    141       3.1134      0.00000
    142       3.2155      0.00000
    143       3.2431      0.00000
    144       3.4076      0.00000
    145       3.4337      0.00000
    146       3.4460      0.00000
    147       3.5443      0.00000
    148       3.6100      0.00000
    149       3.6664      0.00000
    150       3.6944      0.00000
    151       3.7201      0.00000
    152       3.7773      0.00000
    153       3.8243      0.00000
    154       3.9122      0.00000
    155       3.9201      0.00000
    156       3.9761      0.00000
    157       3.9960      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.1438      1.00000
      2     -21.3022      1.00000
      3     -21.2009      1.00000
      4     -21.1886      1.00000
      5     -21.1874      1.00000
      6     -21.1677      1.00000
      7     -21.1673      1.00000
      8     -19.4470      1.00000
      9     -19.3672      1.00000
     10     -19.3647      1.00000
     11     -19.3539      1.00000
     12     -19.3360      1.00000
     13     -19.3323      1.00000
     14     -18.5409      1.00000
     15     -18.4803      1.00000
     16     -18.4734      1.00000
     17     -18.4462      1.00000
     18     -18.4446      1.00000
     19     -18.4358      1.00000
     20     -16.4053      1.00000
     21     -16.3255      1.00000
     22     -16.3238      1.00000
     23     -16.3088      1.00000
     24     -16.2998      1.00000
     25     -16.2969      1.00000
     26     -15.3738      1.00000
     27     -15.3390      1.00000
     28     -15.3053      1.00000
     29     -15.3018      1.00000
     30     -15.2855      1.00000
     31     -15.2843      1.00000
     32     -14.0321      1.00000
     33     -13.9947      1.00000
     34     -13.9710      1.00000
     35     -13.9646      1.00000
     36     -13.9544      1.00000
     37     -13.9410      1.00000
     38     -11.7526      1.00000
     39     -11.6395      1.00000
     40     -11.5993      1.00000
     41     -11.5932      1.00000
     42     -11.5904      1.00000
     43     -11.5877      1.00000
     44     -11.5008      1.00000
     45     -11.4993      1.00000
     46     -11.4796      1.00000
     47     -11.4603      1.00000
     48     -11.4579      1.00000
     49     -11.4544      1.00000
     50     -10.4075      1.00000
     51     -10.1476      1.00000
     52     -10.1343      1.00000
     53     -10.1110      1.00000
     54     -10.1023      1.00000
     55     -10.0947      1.00000
     56     -10.0644      1.00000
     57      -9.5567      1.00000
     58      -9.2102      1.00000
     59      -9.1650      1.00000
     60      -9.1243      1.00000
     61      -9.1058      1.00000
     62      -9.1038      1.00000
     63      -8.9278      1.00000
     64      -8.8539      1.00000
     65      -8.8519      1.00000
     66      -8.8389      1.00000
     67      -8.8295      1.00000
     68      -8.8054      1.00000
     69      -8.8044      1.00000
     70      -8.8005      1.00000
     71      -8.7952      1.00000
     72      -8.7787      1.00000
     73      -8.7586      1.00000
     74      -8.7571      1.00000
     75      -7.5278      1.00000
     76      -7.3233      1.00000
     77      -7.2637      1.00000
     78      -7.2300      1.00000
     79      -7.1762      1.00000
     80      -7.1711      1.00000
     81      -7.1478      1.00000
     82      -7.1478      1.00000
     83      -6.9963      1.00000
     84      -6.9905      1.00000
     85      -6.9873      1.00000
     86      -6.9778      1.00000
     87      -6.4146      1.00000
     88      -6.3747      1.00000
     89      -6.1618      1.00000
     90      -6.1290      1.00000
     91      -6.0990      1.00000
     92      -6.0968      1.00000
     93      -5.7141      1.00000
     94      -5.6880      1.00000
     95      -5.0843      1.00000
     96      -4.6975      1.00000
     97      -4.3183      1.00000
     98      -4.2615      1.00000
     99      -4.1374      1.00000
    100      -4.1361      1.00000
    101      -4.0517      1.00000
    102      -3.9281      1.00000
    103      -3.6006      1.00000
    104      -3.5086      1.00000
    105      -3.4908      1.00000
    106      -2.3371      0.00000
    107      -1.3437      0.00000
    108      -1.3313      0.00000
    109      -1.3218      0.00000
    110      -1.3210      0.00000
    111      -1.2466      0.00000
    112      -1.1959      0.00000
    113       0.3369      0.00000
    114       0.4230      0.00000
    115       0.4765      0.00000
    116       0.5083      0.00000
    117       0.5196      0.00000
    118       0.5206      0.00000
    119       0.7508      0.00000
    120       1.3452      0.00000
    121       1.3762      0.00000
    122       1.3854      0.00000
    123       1.6537      0.00000
    124       1.8781      0.00000
    125       1.8904      0.00000
    126       1.9034      0.00000
    127       2.0786      0.00000
    128       2.1172      0.00000
    129       2.2215      0.00000
    130       2.2245      0.00000
    131       2.2343      0.00000
    132       2.2376      0.00000
    133       2.2585      0.00000
    134       2.3744      0.00000
    135       2.4479      0.00000
    136       2.4876      0.00000
    137       2.6181      0.00000
    138       2.6426      0.00000
    139       2.6790      0.00000
    140       2.8351      0.00000
    141       2.9166      0.00000
    142       2.9195      0.00000
    143       3.0048      0.00000
    144       3.0061      0.00000
    145       3.0291      0.00000
    146       3.0387      0.00000
    147       3.4268      0.00000
    148       3.4644      0.00000
    149       3.5914      0.00000
    150       3.8793      0.00000
    151       3.8993      0.00000
    152       3.9224      0.00000
    153       3.9329      0.00000
    154       3.9714      0.00000
    155       4.0266      0.00000
    156       4.0665      0.00000
    157       4.2154      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.1067      1.00000
      2     -21.5466      1.00000
      3     -21.3671      1.00000
      4     -21.3346      1.00000
      5     -20.9968      1.00000
      6     -20.9612      1.00000
      7     -20.7874      1.00000
      8     -19.8946      1.00000
      9     -19.8562      1.00000
     10     -19.3469      1.00000
     11     -19.3156      1.00000
     12     -19.1491      1.00000
     13     -18.8254      1.00000
     14     -18.7902      1.00000
     15     -18.7769      1.00000
     16     -18.7649      1.00000
     17     -18.1014      1.00000
     18     -18.0755      1.00000
     19     -17.7531      1.00000
     20     -16.8136      1.00000
     21     -16.7581      1.00000
     22     -16.6860      1.00000
     23     -16.6750      1.00000
     24     -16.2128      1.00000
     25     -16.1930      1.00000
     26     -15.3576      1.00000
     27     -15.3351      1.00000
     28     -15.0058      1.00000
     29     -14.9674      1.00000
     30     -14.9106      1.00000
     31     -14.8330      1.00000
     32     -14.8050      1.00000
     33     -14.4422      1.00000
     34     -14.4247      1.00000
     35     -13.4796      1.00000
     36     -13.4542      1.00000
     37     -12.9777      1.00000
     38     -12.3722      1.00000
     39     -12.3240      1.00000
     40     -12.1938      1.00000
     41     -12.1763      1.00000
     42     -11.8806      1.00000
     43     -11.8411      1.00000
     44     -11.4719      1.00000
     45     -11.4161      1.00000
     46     -11.0032      1.00000
     47     -10.9723      1.00000
     48     -10.7796      1.00000
     49     -10.7441      1.00000
     50     -10.6773      1.00000
     51     -10.6387      1.00000
     52     -10.3050      1.00000
     53      -9.9023      1.00000
     54      -9.9005      1.00000
     55      -9.8534      1.00000
     56      -9.6910      1.00000
     57      -9.4741      1.00000
     58      -9.4463      1.00000
     59      -9.3803      1.00000
     60      -9.3557      1.00000
     61      -9.3137      1.00000
     62      -9.2681      1.00000
     63      -9.0625      1.00000
     64      -9.0459      1.00000
     65      -9.0012      1.00000
     66      -8.9511      1.00000
     67      -8.8869      1.00000
     68      -8.8528      1.00000
     69      -8.8404      1.00000
     70      -8.6807      1.00000
     71      -8.6140      1.00000
     72      -8.3686      1.00000
     73      -8.3391      1.00000
     74      -7.8597      1.00000
     75      -7.8160      1.00000
     76      -7.6390      1.00000
     77      -7.6026      1.00000
     78      -7.5052      1.00000
     79      -7.4958      1.00000
     80      -7.1539      1.00000
     81      -7.1314      1.00000
     82      -7.0974      1.00000
     83      -7.0533      1.00000
     84      -6.8585      1.00000
     85      -6.7655      1.00000
     86      -6.6324      1.00000
     87      -6.5390      1.00000
     88      -6.4260      1.00000
     89      -6.3691      1.00000
     90      -5.9208      1.00000
     91      -5.8875      1.00000
     92      -5.8783      1.00000
     93      -5.7531      1.00000
     94      -5.5419      1.00000
     95      -5.1421      1.00000
     96      -4.8115      1.00000
     97      -4.5216      1.00000
     98      -4.4351      1.00000
     99      -4.2603      1.00000
    100      -4.1741      1.00000
    101      -4.0538      1.00000
    102      -3.8894      1.00000
    103      -3.5668      1.00000
    104      -3.4943      1.00000
    105      -3.4640      1.00000
    106      -2.3531      0.00000
    107      -1.4915      0.00000
    108      -1.4244      0.00000
    109      -1.0723      0.00000
    110      -1.0446      0.00000
    111      -1.0222      0.00000
    112      -0.9880      0.00000
    113      -0.3677      0.00000
    114       0.0069      0.00000
    115       0.0431      0.00000
    116       0.7633      0.00000
    117       0.8558      0.00000
    118       0.9506      0.00000
    119       1.1026      0.00000
    120       1.2867      0.00000
    121       1.3442      0.00000
    122       1.4333      0.00000
    123       1.4666      0.00000
    124       1.5355      0.00000
    125       1.6951      0.00000
    126       1.7569      0.00000
    127       1.9511      0.00000
    128       1.9632      0.00000
    129       2.0817      0.00000
    130       2.1560      0.00000
    131       2.3176      0.00000
    132       2.3206      0.00000
    133       2.3455      0.00000
    134       2.4304      0.00000
    135       2.5603      0.00000
    136       2.7275      0.00000
    137       2.7538      0.00000
    138       2.7669      0.00000
    139       2.8218      0.00000
    140       2.9538      0.00000
    141       2.9745      0.00000
    142       3.0525      0.00000
    143       3.1044      0.00000
    144       3.1270      0.00000
    145       3.2638      0.00000
    146       3.2779      0.00000
    147       3.4202      0.00000
    148       3.4707      0.00000
    149       3.5419      0.00000
    150       3.6159      0.00000
    151       3.6508      0.00000
    152       3.7752      0.00000
    153       3.9260      0.00000
    154       3.9925      0.00000
    155       4.0608      0.00000
    156       4.0699      0.00000
    157       4.1281      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9974      1.00000
      2     -21.8008      1.00000
      3     -21.4429      1.00000
      4     -21.4092      1.00000
      5     -20.7034      1.00000
      6     -20.6650      1.00000
      7     -20.3415      1.00000
      8     -20.3025      1.00000
      9     -20.2922      1.00000
     10     -19.7616      1.00000
     11     -19.2429      1.00000
     12     -19.2085      1.00000
     13     -19.0447      1.00000
     14     -19.0241      1.00000
     15     -18.1826      1.00000
     16     -18.1393      1.00000
     17     -17.6687      1.00000
     18     -17.6379      1.00000
     19     -17.4940      1.00000
     20     -17.4548      1.00000
     21     -17.1794      1.00000
     22     -17.1571      1.00000
     23     -17.0769      1.00000
     24     -16.2095      1.00000
     25     -16.1878      1.00000
     26     -15.6939      1.00000
     27     -15.1603      1.00000
     28     -15.1361      1.00000
     29     -14.8439      1.00000
     30     -14.8207      1.00000
     31     -14.6098      1.00000
     32     -14.5754      1.00000
     33     -14.0294      1.00000
     34     -13.9932      1.00000
     35     -13.1865      1.00000
     36     -13.1418      1.00000
     37     -12.9345      1.00000
     38     -12.9055      1.00000
     39     -12.7130      1.00000
     40     -12.6983      1.00000
     41     -12.3738      1.00000
     42     -12.3433      1.00000
     43     -11.9456      1.00000
     44     -11.3393      1.00000
     45     -11.2728      1.00000
     46     -11.0686      1.00000
     47     -11.0209      1.00000
     48     -10.8953      1.00000
     49     -10.4531      1.00000
     50     -10.4086      1.00000
     51     -10.2266      1.00000
     52     -10.0611      1.00000
     53     -10.0501      1.00000
     54      -9.9319      1.00000
     55      -9.8601      1.00000
     56      -9.8470      1.00000
     57      -9.5552      1.00000
     58      -9.5186      1.00000
     59      -9.4699      1.00000
     60      -9.4397      1.00000
     61      -9.4240      1.00000
     62      -9.3872      1.00000
     63      -9.1079      1.00000
     64      -9.0933      1.00000
     65      -9.0576      1.00000
     66      -8.7928      1.00000
     67      -8.7079      1.00000
     68      -8.6158      1.00000
     69      -8.5459      1.00000
     70      -8.3506      1.00000
     71      -8.2701      1.00000
     72      -8.1408      1.00000
     73      -8.1252      1.00000
     74      -8.0810      1.00000
     75      -8.0210      1.00000
     76      -8.0037      1.00000
     77      -7.9910      1.00000
     78      -7.9712      1.00000
     79      -7.5405      1.00000
     80      -7.1497      1.00000
     81      -7.1114      1.00000
     82      -7.0962      1.00000
     83      -6.9999      1.00000
     84      -6.9674      1.00000
     85      -6.7338      1.00000
     86      -6.7246      1.00000
     87      -6.3779      1.00000
     88      -6.3157      1.00000
     89      -6.0518      1.00000
     90      -5.9928      1.00000
     91      -5.8126      1.00000
     92      -5.5975      1.00000
     93      -5.4666      1.00000
     94      -5.2944      1.00000
     95      -5.1355      1.00000
     96      -5.0614      1.00000
     97      -4.9713      1.00000
     98      -4.9655      1.00000
     99      -4.3857      1.00000
    100      -4.1404      1.00000
    101      -4.0899      1.00000
    102      -3.8393      1.00000
    103      -3.6086      1.00000
    104      -3.4150      1.00000
    105      -3.3909      1.00000
    106      -2.3684      0.00000
    107      -1.5856      0.00000
    108      -1.4903      0.00000
    109      -0.8843      0.00000
    110      -0.7622      0.00000
    111      -0.7350      0.00000
    112      -0.4000      0.00000
    113      -0.3717      0.00000
    114      -0.3631      0.00000
    115      -0.3502      0.00000
    116       0.4072      0.00000
    117       0.4727      0.00000
    118       0.8218      0.00000
    119       1.1170      0.00000
    120       1.1427      0.00000
    121       1.3786      0.00000
    122       1.4879      0.00000
    123       1.5183      0.00000
    124       1.6651      0.00000
    125       1.7831      0.00000
    126       1.8119      0.00000
    127       1.8399      0.00000
    128       1.9339      0.00000
    129       2.1100      0.00000
    130       2.1265      0.00000
    131       2.1780      0.00000
    132       2.4450      0.00000
    133       2.4890      0.00000
    134       2.5982      0.00000
    135       2.6549      0.00000
    136       2.6976      0.00000
    137       2.7472      0.00000
    138       2.8955      0.00000
    139       2.9520      0.00000
    140       3.0231      0.00000
    141       3.1226      0.00000
    142       3.2276      0.00000
    143       3.2424      0.00000
    144       3.4312      0.00000
    145       3.4382      0.00000
    146       3.4541      0.00000
    147       3.5156      0.00000
    148       3.5911      0.00000
    149       3.6694      0.00000
    150       3.6861      0.00000
    151       3.7181      0.00000
    152       3.7845      0.00000
    153       3.8461      0.00000
    154       3.9121      0.00000
    155       3.9523      0.00000
    156       3.9855      0.00000
    157       4.1320      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0332      1.00000
      2     -21.6727      1.00000
      3     -21.6308      1.00000
      4     -21.1015      1.00000
      5     -21.0811      1.00000
      6     -20.5547      1.00000
      7     -20.5130      1.00000
      8     -20.3500      1.00000
      9     -19.8013      1.00000
     10     -19.8010      1.00000
     11     -19.4448      1.00000
     12     -19.4249      1.00000
     13     -18.7234      1.00000
     14     -18.7213      1.00000
     15     -18.3716      1.00000
     16     -18.3600      1.00000
     17     -18.1905      1.00000
     18     -17.4205      1.00000
     19     -17.3592      1.00000
     20     -17.3438      1.00000
     21     -17.3219      1.00000
     22     -16.8554      1.00000
     23     -16.8408      1.00000
     24     -16.6997      1.00000
     25     -15.7359      1.00000
     26     -15.6695      1.00000
     27     -15.3224      1.00000
     28     -15.3091      1.00000
     29     -15.0347      1.00000
     30     -14.6004      1.00000
     31     -14.5678      1.00000
     32     -14.3182      1.00000
     33     -14.2814      1.00000
     34     -13.9024      1.00000
     35     -13.8999      1.00000
     36     -12.8873      1.00000
     37     -12.8235      1.00000
     38     -12.7856      1.00000
     39     -12.7618      1.00000
     40     -12.4530      1.00000
     41     -12.4493      1.00000
     42     -12.0678      1.00000
     43     -12.0503      1.00000
     44     -11.4201      1.00000
     45     -11.3736      1.00000
     46     -11.3039      1.00000
     47     -10.7125      1.00000
     48     -10.6596      1.00000
     49     -10.4023      1.00000
     50     -10.3779      1.00000
     51     -10.2486      1.00000
     52     -10.2424      1.00000
     53     -10.1880      1.00000
     54     -10.1863      1.00000
     55     -10.0922      1.00000
     56      -9.8129      1.00000
     57      -9.6494      1.00000
     58      -9.3568      1.00000
     59      -9.2979      1.00000
     60      -9.2601      1.00000
     61      -9.1507      1.00000
     62      -9.1367      1.00000
     63      -9.1171      1.00000
     64      -9.0717      1.00000
     65      -9.0372      1.00000
     66      -8.9309      1.00000
     67      -8.8949      1.00000
     68      -8.8449      1.00000
     69      -8.6090      1.00000
     70      -8.5973      1.00000
     71      -8.4738      1.00000
     72      -8.3482      1.00000
     73      -8.1945      1.00000
     74      -7.9550      1.00000
     75      -7.9145      1.00000
     76      -7.6814      1.00000
     77      -7.6116      1.00000
     78      -7.5757      1.00000
     79      -7.5716      1.00000
     80      -7.4577      1.00000
     81      -7.4477      1.00000
     82      -7.2052      1.00000
     83      -7.1450      1.00000
     84      -6.6842      1.00000
     85      -6.6552      1.00000
     86      -6.5644      1.00000
     87      -6.4259      1.00000
     88      -6.1940      1.00000
     89      -6.1231      1.00000
     90      -6.0589      1.00000
     91      -5.9637      1.00000
     92      -5.7954      1.00000
     93      -5.4172      1.00000
     94      -5.2394      1.00000
     95      -5.2036      1.00000
     96      -5.1111      1.00000
     97      -4.9671      1.00000
     98      -4.5238      1.00000
     99      -4.4604      1.00000
    100      -4.1326      1.00000
    101      -4.0949      1.00000
    102      -3.9718      1.00000
    103      -3.5987      1.00000
    104      -3.5447      1.00000
    105      -3.1072      1.00000
    106      -2.4565      0.00000
    107      -1.8217      0.00000
    108      -1.0132      0.00000
    109      -0.9632      0.00000
    110      -0.9308      0.00000
    111      -0.6870      0.00000
    112      -0.6831      0.00000
    113      -0.5514      0.00000
    114      -0.5505      0.00000
    115       0.4337      0.00000
    116       0.4421      0.00000
    117       0.5257      0.00000
    118       0.7934      0.00000
    119       1.0121      0.00000
    120       1.0887      0.00000
    121       1.2481      0.00000
    122       1.2820      0.00000
    123       1.6056      0.00000
    124       1.6556      0.00000
    125       1.6986      0.00000
    126       1.8235      0.00000
    127       2.0195      0.00000
    128       2.0378      0.00000
    129       2.0555      0.00000
    130       2.2379      0.00000
    131       2.2710      0.00000
    132       2.3703      0.00000
    133       2.5154      0.00000
    134       2.5674      0.00000
    135       2.6744      0.00000
    136       2.7585      0.00000
    137       2.8023      0.00000
    138       2.8498      0.00000
    139       2.8555      0.00000
    140       3.0917      0.00000
    141       3.1023      0.00000
    142       3.1479      0.00000
    143       3.1569      0.00000
    144       3.2306      0.00000
    145       3.2981      0.00000
    146       3.3961      0.00000
    147       3.4393      0.00000
    148       3.5536      0.00000
    149       3.5915      0.00000
    150       3.7090      0.00000
    151       3.7512      0.00000
    152       3.8314      0.00000
    153       3.9212      0.00000
    154       3.9419      0.00000
    155       3.9674      0.00000
    156       3.9849      0.00000
    157       4.1007      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9135      1.00000
      2     -21.8493      1.00000
      3     -21.6850      1.00000
      4     -21.1293      1.00000
      5     -20.7774      1.00000
      6     -20.7364      1.00000
      7     -20.2290      1.00000
      8     -20.1836      1.00000
      9     -20.0307      1.00000
     10     -19.9991      1.00000
     11     -19.6796      1.00000
     12     -19.6260      1.00000
     13     -18.6089      1.00000
     14     -18.5492      1.00000
     15     -18.0943      1.00000
     16     -18.0283      1.00000
     17     -17.8927      1.00000
     18     -17.8627      1.00000
     19     -17.5655      1.00000
     20     -17.5143      1.00000
     21     -16.9989      1.00000
     22     -16.9714      1.00000
     23     -16.9042      1.00000
     24     -16.8662      1.00000
     25     -15.8342      1.00000
     26     -15.6293      1.00000
     27     -15.5985      1.00000
     28     -15.5645      1.00000
     29     -14.9819      1.00000
     30     -14.3047      1.00000
     31     -14.2587      1.00000
     32     -14.0257      1.00000
     33     -13.7050      1.00000
     34     -13.6944      1.00000
     35     -13.5652      1.00000
     36     -13.5455      1.00000
     37     -13.3625      1.00000
     38     -13.3014      1.00000
     39     -13.0950      1.00000
     40     -12.3603      1.00000
     41     -11.9535      1.00000
     42     -11.8691      1.00000
     43     -11.8102      1.00000
     44     -11.7565      1.00000
     45     -11.4322      1.00000
     46     -11.3966      1.00000
     47     -10.9115      1.00000
     48     -10.8575      1.00000
     49     -10.5555      1.00000
     50     -10.4720      1.00000
     51     -10.1852      1.00000
     52      -9.9646      1.00000
     53      -9.9407      1.00000
     54      -9.9023      1.00000
     55      -9.7620      1.00000
     56      -9.7601      1.00000
     57      -9.7147      1.00000
     58      -9.5617      1.00000
     59      -9.5381      1.00000
     60      -9.5139      1.00000
     61      -9.5028      1.00000
     62      -9.2059      1.00000
     63      -9.1128      1.00000
     64      -8.8586      1.00000
     65      -8.8166      1.00000
     66      -8.7767      1.00000
     67      -8.6672      1.00000
     68      -8.6080      1.00000
     69      -8.4705      1.00000
     70      -8.4397      1.00000
     71      -8.3301      1.00000
     72      -8.2810      1.00000
     73      -8.2296      1.00000
     74      -8.2046      1.00000
     75      -8.1145      1.00000
     76      -7.9746      1.00000
     77      -7.8407      1.00000
     78      -7.7685      1.00000
     79      -7.6575      1.00000
     80      -7.5130      1.00000
     81      -7.3619      1.00000
     82      -7.2763      1.00000
     83      -6.7769      1.00000
     84      -6.6863      1.00000
     85      -6.6310      1.00000
     86      -6.5487      1.00000
     87      -6.3210      1.00000
     88      -6.2337      1.00000
     89      -6.1685      1.00000
     90      -5.9960      1.00000
     91      -5.7440      1.00000
     92      -5.5787      1.00000
     93      -5.5356      1.00000
     94      -5.3484      1.00000
     95      -5.1828      1.00000
     96      -5.0054      1.00000
     97      -4.9750      1.00000
     98      -4.9639      1.00000
     99      -4.5586      1.00000
    100      -4.1343      1.00000
    101      -4.0861      1.00000
    102      -3.9644      1.00000
    103      -3.6199      1.00000
    104      -3.5732      1.00000
    105      -2.9295      1.00000
    106      -2.4588      0.00000
    107      -2.0156      0.00000
    108      -0.9666      0.00000
    109      -0.9303      0.00000
    110      -0.9086      0.00000
    111      -0.8732      0.00000
    112      -0.2455      0.00000
    113      -0.2335      0.00000
    114      -0.0767      0.00000
    115      -0.0573      0.00000
    116       0.1929      0.00000
    117       0.2570      0.00000
    118       0.7396      0.00000
    119       0.8343      0.00000
    120       0.8901      0.00000
    121       1.0508      0.00000
    122       1.3009      0.00000
    123       1.5675      0.00000
    124       1.6644      0.00000
    125       1.7702      0.00000
    126       1.9494      0.00000
    127       2.0502      0.00000
    128       2.0865      0.00000
    129       2.1579      0.00000
    130       2.3009      0.00000
    131       2.3425      0.00000
    132       2.4891      0.00000
    133       2.5172      0.00000
    134       2.7164      0.00000
    135       2.7411      0.00000
    136       2.9566      0.00000
    137       2.9597      0.00000
    138       2.9921      0.00000
    139       3.0578      0.00000
    140       3.0895      0.00000
    141       3.1451      0.00000
    142       3.1592      0.00000
    143       3.1922      0.00000
    144       3.2578      0.00000
    145       3.4019      0.00000
    146       3.4197      0.00000
    147       3.4350      0.00000
    148       3.4548      0.00000
    149       3.5383      0.00000
    150       3.5895      0.00000
    151       3.6045      0.00000
    152       3.6432      0.00000
    153       3.6847      0.00000
    154       3.8271      0.00000
    155       3.9034      0.00000
    156       3.9324      0.00000
    157       4.0078      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0327      1.00000
      2     -21.6798      1.00000
      3     -21.6238      1.00000
      4     -21.1114      1.00000
      5     -21.0706      1.00000
      6     -20.5614      1.00000
      7     -20.5067      1.00000
      8     -20.3495      1.00000
      9     -19.8230      1.00000
     10     -19.7812      1.00000
     11     -19.4524      1.00000
     12     -19.4155      1.00000
     13     -18.7457      1.00000
     14     -18.7012      1.00000
     15     -18.3888      1.00000
     16     -18.3418      1.00000
     17     -18.1915      1.00000
     18     -17.4105      1.00000
     19     -17.3665      1.00000
     20     -17.3398      1.00000
     21     -17.3160      1.00000
     22     -16.8803      1.00000
     23     -16.8244      1.00000
     24     -16.7074      1.00000
     25     -15.7542      1.00000
     26     -15.6474      1.00000
     27     -15.3405      1.00000
     28     -15.3004      1.00000
     29     -15.0119      1.00000
     30     -14.6271      1.00000
     31     -14.5585      1.00000
     32     -14.3135      1.00000
     33     -14.2761      1.00000
     34     -13.9053      1.00000
     35     -13.8933      1.00000
     36     -12.9297      1.00000
     37     -12.8237      1.00000
     38     -12.7664      1.00000
     39     -12.7532      1.00000
     40     -12.4755      1.00000
     41     -12.4281      1.00000
     42     -12.0689      1.00000
     43     -12.0533      1.00000
     44     -11.3941      1.00000
     45     -11.3643      1.00000
     46     -11.3017      1.00000
     47     -10.6925      1.00000
     48     -10.6739      1.00000
     49     -10.4807      1.00000
     50     -10.3338      1.00000
     51     -10.3097      1.00000
     52     -10.2385      1.00000
     53     -10.1979      1.00000
     54     -10.1453      1.00000
     55     -10.0888      1.00000
     56      -9.8086      1.00000
     57      -9.6447      1.00000
     58      -9.3719      1.00000
     59      -9.2923      1.00000
     60      -9.2194      1.00000
     61      -9.1711      1.00000
     62      -9.1428      1.00000
     63      -9.1137      1.00000
     64      -9.0730      1.00000
     65      -9.0231      1.00000
     66      -8.9127      1.00000
     67      -8.8696      1.00000
     68      -8.8515      1.00000
     69      -8.6153      1.00000
     70      -8.6044      1.00000
     71      -8.4866      1.00000
     72      -8.3383      1.00000
     73      -8.2299      1.00000
     74      -7.9498      1.00000
     75      -7.9218      1.00000
     76      -7.7228      1.00000
     77      -7.6118      1.00000
     78      -7.5715      1.00000
     79      -7.5145      1.00000
     80      -7.4672      1.00000
     81      -7.4277      1.00000
     82      -7.2362      1.00000
     83      -7.1131      1.00000
     84      -6.7111      1.00000
     85      -6.6639      1.00000
     86      -6.5746      1.00000
     87      -6.3734      1.00000
     88      -6.1653      1.00000
     89      -6.1162      1.00000
     90      -6.0577      1.00000
     91      -5.9475      1.00000
     92      -5.8636      1.00000
     93      -5.5647      1.00000
     94      -5.3418      1.00000
     95      -5.1339      1.00000
     96      -4.9738      1.00000
     97      -4.8332      1.00000
     98      -4.5806      1.00000
     99      -4.4923      1.00000
    100      -4.1635      1.00000
    101      -4.0358      1.00000
    102      -3.9059      1.00000
    103      -3.6459      1.00000
    104      -3.5796      1.00000
    105      -3.2360      1.00000
    106      -2.2819      0.00000
    107      -1.8824      0.00000
    108      -1.0448      0.00000
    109      -0.9637      0.00000
    110      -0.9322      0.00000
    111      -0.6875      0.00000
    112      -0.6479      0.00000
    113      -0.5542      0.00000
    114      -0.5356      0.00000
    115       0.3400      0.00000
    116       0.4655      0.00000
    117       0.5217      0.00000
    118       0.8077      0.00000
    119       1.0734      0.00000
    120       1.1131      0.00000
    121       1.1711      0.00000
    122       1.3282      0.00000
    123       1.6012      0.00000
    124       1.6356      0.00000
    125       1.6939      0.00000
    126       1.8265      0.00000
    127       2.0185      0.00000
    128       2.0371      0.00000
    129       2.0526      0.00000
    130       2.2446      0.00000
    131       2.3081      0.00000
    132       2.3797      0.00000
    133       2.5115      0.00000
    134       2.5321      0.00000
    135       2.6777      0.00000
    136       2.7711      0.00000
    137       2.8107      0.00000
    138       2.8288      0.00000
    139       2.8675      0.00000
    140       3.0637      0.00000
    141       3.0971      0.00000
    142       3.1425      0.00000
    143       3.1644      0.00000
    144       3.2372      0.00000
    145       3.3005      0.00000
    146       3.4060      0.00000
    147       3.4615      0.00000
    148       3.5417      0.00000
    149       3.5727      0.00000
    150       3.7247      0.00000
    151       3.7522      0.00000
    152       3.8181      0.00000
    153       3.9348      0.00000
    154       3.9401      0.00000
    155       3.9690      0.00000
    156       3.9886      0.00000
    157       4.0811      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1066      1.00000
      2     -21.5487      1.00000
      3     -21.3617      1.00000
      4     -21.3373      1.00000
      5     -20.9954      1.00000
      6     -20.9646      1.00000
      7     -20.7858      1.00000
      8     -19.8925      1.00000
      9     -19.8590      1.00000
     10     -19.3476      1.00000
     11     -19.3174      1.00000
     12     -19.1440      1.00000
     13     -18.8335      1.00000
     14     -18.7930      1.00000
     15     -18.7719      1.00000
     16     -18.7615      1.00000
     17     -18.1016      1.00000
     18     -18.0778      1.00000
     19     -17.7480      1.00000
     20     -16.8048      1.00000
     21     -16.7618      1.00000
     22     -16.6926      1.00000
     23     -16.6727      1.00000
     24     -16.2264      1.00000
     25     -16.1921      1.00000
     26     -15.3497      1.00000
     27     -15.3279      1.00000
     28     -14.9787      1.00000
     29     -14.9674      1.00000
     30     -14.9388      1.00000
     31     -14.8455      1.00000
     32     -14.7977      1.00000
     33     -14.4432      1.00000
     34     -14.4219      1.00000
     35     -13.4788      1.00000
     36     -13.4507      1.00000
     37     -12.9795      1.00000
     38     -12.4101      1.00000
     39     -12.3124      1.00000
     40     -12.1920      1.00000
     41     -12.1787      1.00000
     42     -11.8535      1.00000
     43     -11.8357      1.00000
     44     -11.4602      1.00000
     45     -11.4149      1.00000
     46     -11.0526      1.00000
     47     -10.9602      1.00000
     48     -10.7645      1.00000
     49     -10.7406      1.00000
     50     -10.6695      1.00000
     51     -10.6280      1.00000
     52     -10.3332      1.00000
     53      -9.9772      1.00000
     54      -9.8840      1.00000
     55      -9.8282      1.00000
     56      -9.6608      1.00000
     57      -9.4402      1.00000
     58      -9.4356      1.00000
     59      -9.4005      1.00000
     60      -9.3719      1.00000
     61      -9.3044      1.00000
     62      -9.2611      1.00000
     63      -9.0761      1.00000
     64      -9.0378      1.00000
     65      -8.9922      1.00000
     66      -8.9783      1.00000
     67      -8.8670      1.00000
     68      -8.8594      1.00000
     69      -8.8449      1.00000
     70      -8.6818      1.00000
     71      -8.6142      1.00000
     72      -8.3435      1.00000
     73      -8.3399      1.00000
     74      -7.9087      1.00000
     75      -7.8061      1.00000
     76      -7.6521      1.00000
     77      -7.5655      1.00000
     78      -7.5337      1.00000
     79      -7.4870      1.00000
     80      -7.2317      1.00000
     81      -7.0532      1.00000
     82      -7.0345      1.00000
     83      -7.0000      1.00000
     84      -6.9641      1.00000
     85      -6.7533      1.00000
     86      -6.6418      1.00000
     87      -6.5118      1.00000
     88      -6.4516      1.00000
     89      -6.3730      1.00000
     90      -5.9430      1.00000
     91      -5.8620      1.00000
     92      -5.8437      1.00000
     93      -5.7158      1.00000
     94      -5.6742      1.00000
     95      -5.1355      1.00000
     96      -4.6945      1.00000
     97      -4.5864      1.00000
     98      -4.4318      1.00000
     99      -4.2379      1.00000
    100      -4.2193      1.00000
    101      -3.8940      1.00000
    102      -3.8541      1.00000
    103      -3.7663      1.00000
    104      -3.5128      1.00000
    105      -3.4677      1.00000
    106      -2.2808      0.00000
    107      -1.5004      0.00000
    108      -1.4425      0.00000
    109      -1.0866      0.00000
    110      -1.0584      0.00000
    111      -1.0381      0.00000
    112      -0.9486      0.00000
    113      -0.3327      0.00000
    114      -0.0078      0.00000
    115       0.0176      0.00000
    116       0.7430      0.00000
    117       0.8744      0.00000
    118       0.9158      0.00000
    119       1.1720      0.00000
    120       1.2936      0.00000
    121       1.3866      0.00000
    122       1.3899      0.00000
    123       1.4274      0.00000
    124       1.5393      0.00000
    125       1.6972      0.00000
    126       1.7535      0.00000
    127       1.9350      0.00000
    128       1.9667      0.00000
    129       2.1220      0.00000
    130       2.1329      0.00000
    131       2.3212      0.00000
    132       2.3321      0.00000
    133       2.3529      0.00000
    134       2.4255      0.00000
    135       2.5664      0.00000
    136       2.7296      0.00000
    137       2.7493      0.00000
    138       2.7663      0.00000
    139       2.8001      0.00000
    140       2.9221      0.00000
    141       2.9683      0.00000
    142       3.0719      0.00000
    143       3.1367      0.00000
    144       3.1702      0.00000
    145       3.2501      0.00000
    146       3.2715      0.00000
    147       3.4037      0.00000
    148       3.4355      0.00000
    149       3.5479      0.00000
    150       3.6287      0.00000
    151       3.6463      0.00000
    152       3.7647      0.00000
    153       3.9399      0.00000
    154       3.9521      0.00000
    155       4.0608      0.00000
    156       4.0813      0.00000
    157       4.1951      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9089      1.00000
      2     -21.8560      1.00000
      3     -21.6828      1.00000
      4     -21.1295      1.00000
      5     -20.7667      1.00000
      6     -20.7471      1.00000
      7     -20.2180      1.00000
      8     -20.1952      1.00000
      9     -20.0162      1.00000
     10     -20.0146      1.00000
     11     -19.6715      1.00000
     12     -19.6325      1.00000
     13     -18.6074      1.00000
     14     -18.5557      1.00000
     15     -18.0648      1.00000
     16     -18.0483      1.00000
     17     -17.8824      1.00000
     18     -17.8771      1.00000
     19     -17.5464      1.00000
     20     -17.5310      1.00000
     21     -17.0024      1.00000
     22     -16.9743      1.00000
     23     -16.8953      1.00000
     24     -16.8690      1.00000
     25     -15.8569      1.00000
     26     -15.6045      1.00000
     27     -15.5983      1.00000
     28     -15.5792      1.00000
     29     -14.9660      1.00000
     30     -14.2893      1.00000
     31     -14.2711      1.00000
     32     -14.0118      1.00000
     33     -13.7348      1.00000
     34     -13.6969      1.00000
     35     -13.5599      1.00000
     36     -13.5496      1.00000
     37     -13.3436      1.00000
     38     -13.3130      1.00000
     39     -13.0974      1.00000
     40     -12.3781      1.00000
     41     -11.9134      1.00000
     42     -11.8904      1.00000
     43     -11.7905      1.00000
     44     -11.7587      1.00000
     45     -11.4214      1.00000
     46     -11.4119      1.00000
     47     -10.9078      1.00000
     48     -10.8758      1.00000
     49     -10.5377      1.00000
     50     -10.4736      1.00000
     51     -10.2203      1.00000
     52      -9.9492      1.00000
     53      -9.9375      1.00000
     54      -9.9190      1.00000
     55      -9.7767      1.00000
     56      -9.7317      1.00000
     57      -9.7130      1.00000
     58      -9.5751      1.00000
     59      -9.5361      1.00000
     60      -9.5145      1.00000
     61      -9.4996      1.00000
     62      -9.2012      1.00000
     63      -9.1126      1.00000
     64      -8.8463      1.00000
     65      -8.8031      1.00000
     66      -8.7517      1.00000
     67      -8.7054      1.00000
     68      -8.5993      1.00000
     69      -8.4546      1.00000
     70      -8.4437      1.00000
     71      -8.3149      1.00000
     72      -8.2938      1.00000
     73      -8.2123      1.00000
     74      -8.2066      1.00000
     75      -8.0855      1.00000
     76      -8.0456      1.00000
     77      -7.8393      1.00000
     78      -7.8026      1.00000
     79      -7.6934      1.00000
     80      -7.4372      1.00000
     81      -7.3666      1.00000
     82      -7.2573      1.00000
     83      -6.8211      1.00000
     84      -6.7055      1.00000
     85      -6.6246      1.00000
     86      -6.3842      1.00000
     87      -6.3110      1.00000
     88      -6.2674      1.00000
     89      -6.2052      1.00000
     90      -6.1276      1.00000
     91      -5.7514      1.00000
     92      -5.5582      1.00000
     93      -5.5185      1.00000
     94      -5.3693      1.00000
     95      -5.1648      1.00000
     96      -4.9921      1.00000
     97      -4.9784      1.00000
     98      -4.9406      1.00000
     99      -4.5048      1.00000
    100      -4.1358      1.00000
    101      -4.0667      1.00000
    102      -3.9837      1.00000
    103      -3.6353      1.00000
    104      -3.5949      1.00000
    105      -3.0509      1.00000
    106      -2.2002      0.00000
    107      -2.1608      0.00000
    108      -0.9278      0.00000
    109      -0.9262      0.00000
    110      -0.9151      0.00000
    111      -0.9063      0.00000
    112      -0.2413      0.00000
    113      -0.2338      0.00000
    114      -0.0945      0.00000
    115      -0.0715      0.00000
    116       0.2352      0.00000
    117       0.2441      0.00000
    118       0.7152      0.00000
    119       0.8163      0.00000
    120       0.9467      0.00000
    121       1.0253      0.00000
    122       1.2808      0.00000
    123       1.5959      0.00000
    124       1.6408      0.00000
    125       1.7748      0.00000
    126       1.9559      0.00000
    127       2.0471      0.00000
    128       2.0755      0.00000
    129       2.1499      0.00000
    130       2.3078      0.00000
    131       2.3836      0.00000
    132       2.4867      0.00000
    133       2.5131      0.00000
    134       2.7103      0.00000
    135       2.8279      0.00000
    136       2.9213      0.00000
    137       2.9536      0.00000
    138       2.9892      0.00000
    139       3.0246      0.00000
    140       3.0885      0.00000
    141       3.1234      0.00000
    142       3.1764      0.00000
    143       3.1935      0.00000
    144       3.2778      0.00000
    145       3.3784      0.00000
    146       3.4093      0.00000
    147       3.4380      0.00000
    148       3.4751      0.00000
    149       3.5037      0.00000
    150       3.5937      0.00000
    151       3.6056      0.00000
    152       3.6374      0.00000
    153       3.6590      0.00000
    154       3.8268      0.00000
    155       3.9448      0.00000
    156       3.9558      0.00000
    157       4.1978      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9963      1.00000
      2     -21.8034      1.00000
      3     -21.4383      1.00000
      4     -21.4121      1.00000
      5     -20.7008      1.00000
      6     -20.6680      1.00000
      7     -20.3312      1.00000
      8     -20.3065      1.00000
      9     -20.2986      1.00000
     10     -19.7621      1.00000
     11     -19.2394      1.00000
     12     -19.2091      1.00000
     13     -19.0457      1.00000
     14     -19.0285      1.00000
     15     -18.1741      1.00000
     16     -18.1420      1.00000
     17     -17.6669      1.00000
     18     -17.6405      1.00000
     19     -17.4909      1.00000
     20     -17.4564      1.00000
     21     -17.1811      1.00000
     22     -17.1567      1.00000
     23     -17.0726      1.00000
     24     -16.2256      1.00000
     25     -16.1873      1.00000
     26     -15.7030      1.00000
     27     -15.1522      1.00000
     28     -15.1301      1.00000
     29     -14.8413      1.00000
     30     -14.8161      1.00000
     31     -14.5863      1.00000
     32     -14.5767      1.00000
     33     -14.0559      1.00000
     34     -13.9857      1.00000
     35     -13.2142      1.00000
     36     -13.1327      1.00000
     37     -12.9280      1.00000
     38     -12.9015      1.00000
     39     -12.7252      1.00000
     40     -12.7022      1.00000
     41     -12.3631      1.00000
     42     -12.3397      1.00000
     43     -11.9455      1.00000
     44     -11.3194      1.00000
     45     -11.2691      1.00000
     46     -11.0530      1.00000
     47     -11.0147      1.00000
     48     -10.9034      1.00000
     49     -10.5268      1.00000
     50     -10.4021      1.00000
     51     -10.2231      1.00000
     52     -10.0522      1.00000
     53     -10.0516      1.00000
     54      -9.9411      1.00000
     55      -9.8648      1.00000
     56      -9.8290      1.00000
     57      -9.5777      1.00000
     58      -9.4862      1.00000
     59      -9.4573      1.00000
     60      -9.4434      1.00000
     61      -9.4358      1.00000
     62      -9.3848      1.00000
     63      -9.1095      1.00000
     64      -9.0876      1.00000
     65      -9.0602      1.00000
     66      -8.7415      1.00000
     67      -8.7057      1.00000
     68      -8.6538      1.00000
     69      -8.5254      1.00000
     70      -8.3345      1.00000
     71      -8.2824      1.00000
     72      -8.1749      1.00000
     73      -8.1340      1.00000
     74      -8.0434      1.00000
     75      -8.0322      1.00000
     76      -8.0032      1.00000
     77      -7.9859      1.00000
     78      -7.9722      1.00000
     79      -7.5666      1.00000
     80      -7.3178      1.00000
     81      -7.0845      1.00000
     82      -7.0076      1.00000
     83      -6.9395      1.00000
     84      -6.8812      1.00000
     85      -6.7449      1.00000
     86      -6.6947      1.00000
     87      -6.3653      1.00000
     88      -6.3377      1.00000
     89      -6.2402      1.00000
     90      -6.0263      1.00000
     91      -5.6980      1.00000
     92      -5.6115      1.00000
     93      -5.4655      1.00000
     94      -5.3781      1.00000
     95      -5.0815      1.00000
     96      -5.0387      1.00000
     97      -4.9768      1.00000
     98      -4.9452      1.00000
     99      -4.2191      1.00000
    100      -4.2082      1.00000
    101      -4.0063      1.00000
    102      -3.8655      1.00000
    103      -3.6666      1.00000
    104      -3.5632      1.00000
    105      -3.4124      1.00000
    106      -2.2345      0.00000
    107      -1.5886      0.00000
    108      -1.5335      0.00000
    109      -0.8433      0.00000
    110      -0.7733      0.00000
    111      -0.7528      0.00000
    112      -0.4023      0.00000
    113      -0.4014      0.00000
    114      -0.3553      0.00000
    115      -0.3435      0.00000
    116       0.4179      0.00000
    117       0.4760      0.00000
    118       0.8143      0.00000
    119       1.1288      0.00000
    120       1.1432      0.00000
    121       1.3062      0.00000
    122       1.4879      0.00000
    123       1.5154      0.00000
    124       1.6839      0.00000
    125       1.7673      0.00000
    126       1.8166      0.00000
    127       1.8424      0.00000
    128       1.9831      0.00000
    129       2.0550      0.00000
    130       2.1313      0.00000
    131       2.2698      0.00000
    132       2.4749      0.00000
    133       2.4925      0.00000
    134       2.5875      0.00000
    135       2.6540      0.00000
    136       2.6923      0.00000
    137       2.7499      0.00000
    138       2.9009      0.00000
    139       2.9165      0.00000
    140       3.0193      0.00000
    141       3.1134      0.00000
    142       3.2155      0.00000
    143       3.2430      0.00000
    144       3.4076      0.00000
    145       3.4337      0.00000
    146       3.4459      0.00000
    147       3.5443      0.00000
    148       3.6100      0.00000
    149       3.6663      0.00000
    150       3.6943      0.00000
    151       3.7201      0.00000
    152       3.7773      0.00000
    153       3.8243      0.00000
    154       3.9122      0.00000
    155       3.9201      0.00000
    156       3.9761      0.00000
    157       3.9960      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   201.9336   -5.4100    2.9931   -0.8970   -0.1691   17.4533    0.2900   -0.5572    0.5505   -0.3592
x    -3.1403   -0.0290   -0.0383    0.0121    0.0420   -2.9968   -0.0154   -0.0035    0.0039    0.0014
x    -0.0949   -0.0030    0.0036   -0.0029    0.0018   -0.0240    0.0000    0.0000   -0.0002    0.0002
x    -0.0036   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   201.9336    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0036    0.0001    0.0017    0.0004    0.0004   -0.0970   -0.0295    0.0658   -0.0265
y     0.1041   -3.1668   -0.3999    0.0264   -1.2403   -0.4617
z   201.9336    1.0081   -0.0113    0.0014    0.0264    0.0803   -0.0029   -0.0003    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0834    0.0054   -0.0005    0.0003    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0010   -0.0002   -0.0002   -0.0001
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.3347
z    -0.4445    0.1648    0.0411    0.1374   -0.0906   -0.0010
 total charge-density along one line
x   210.0000   -8.3418    5.0140   -1.7409   -0.4165   19.4255   -0.9322    0.5353   -0.2052    0.0367
x    -2.7262   -0.0135   -0.0238    0.0179    0.0117   -2.2540   -0.0212   -0.0016    0.0040    0.0015
x    -0.0854   -0.0024    0.0040   -0.0041    0.0030   -0.0367    0.0000    0.0001   -0.0002    0.0001
x    -0.0057    0.0000   -0.0001    0.0001    0.0000    0.0012    0.0001    0.0000   -0.0001    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   210.0000   -8.3418    5.0140   -1.7409   -0.4165   19.4255   -0.9322    0.5353   -0.2052    0.0367
y    -2.7262   -0.0135   -0.0238    0.0179    0.0117   -2.2540   -0.0212   -0.0016    0.0040    0.0015
y    -0.0854   -0.0024    0.0040   -0.0041    0.0030   -0.0367    0.0000    0.0001   -0.0002    0.0001
y    -0.0057    0.0000   -0.0001    0.0001    0.0000    0.0012    0.0001    0.0000   -0.0001    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   210.0000 -204.7475  190.8004 -172.4451  153.9269 -137.4545  122.8684 -108.7802   94.0683  -78.7191
z    63.7090  -50.2881   39.2721  -30.7501   24.2495  -19.1227   14.8738  -11.2728    8.2810   -5.9078
z     4.1116   -2.7871    1.8090   -1.0776    0.5348   -0.1492   -0.1062    0.2642   -0.3586    0.4137
z    -0.4400    0.4390   -0.4127    0.3684   -0.3176    0.2706   -0.2317    0.1997   -0.1709    0.1432
z    -0.1170    0.0943   -0.0765    0.0633   -0.0531    0.0444   -0.0367    0.0302   -0.0252    0.0215
z    -0.0184    0.0156   -0.0128    0.0103   -0.0084    0.0069   -0.0056    0.0043   -0.0031    0.0021
z    -0.0014    0.0009   -0.0005    0.0001    0.0002   -0.0004    0.0005   -0.0004    0.0004   -0.0004
z     0.0004   -0.0003    0.0002    0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0002    0.0002
z    -0.0002    0.0002   -0.0001    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000   -0.0001
z     0.0001    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.763   0.000  -0.011   0.000   0.001   0.173   0.000   0.002
  0.000 -10.957   0.000   0.049   0.000   0.000   0.197   0.000
 -0.011   0.000 -11.077   0.000   0.006   0.002   0.000   0.212
  0.000   0.049   0.000 -11.013   0.000   0.000  -0.006   0.000
  0.001   0.000   0.006   0.000 -10.762   0.000   0.000  -0.001
  0.173   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.197   0.000  -0.006   0.000   0.000   0.176   0.000
  0.002   0.000   0.212   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.006   0.000   0.204   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.173   0.000   0.000   0.000
 -0.020   0.000   0.093   0.000   0.012   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.029   0.000  -0.001   0.000   0.000  -0.004   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.030   0.000   0.000   0.000   0.000
  0.000  -0.022   0.000   0.000   0.000   0.000   0.003   0.000
  0.000   0.000  -0.022   0.000   0.000   0.000   0.000   0.003
  0.000   0.000   0.000  -0.023   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.763   0.000  -0.011   0.000   0.001   0.173   0.000   0.002
  0.000 -10.957   0.000   0.049   0.000   0.000   0.197   0.000
 -0.011   0.000 -11.077   0.000   0.006   0.002   0.000   0.212
  0.000   0.049   0.000 -11.013   0.000   0.000  -0.006   0.000
  0.001   0.000   0.006   0.000 -10.762   0.000   0.000  -0.001
  0.173   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.197   0.000  -0.006   0.000   0.000   0.176   0.000
  0.002   0.000   0.212   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.006   0.000   0.204   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.173   0.000   0.000   0.000
 -0.020   0.000   0.093   0.000   0.012   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.029   0.000  -0.001   0.000   0.000  -0.004   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.030   0.000   0.000   0.000   0.000
  0.000  -0.022   0.000   0.000   0.000   0.000   0.003   0.000
  0.000   0.000  -0.022   0.000   0.000   0.000   0.000   0.003
  0.000   0.000   0.000  -0.023   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.937   0.000   0.063   0.000   0.004   0.097   0.000  -0.030   0.000  -0.009   0.096  -0.013   0.000   0.037   0.000   0.000
  0.000   1.880   0.000   0.110   0.000   0.000   0.216   0.000  -0.090   0.000   0.000   0.000   0.004   0.000   0.024   0.034
  0.063   0.000   1.727   0.000  -0.037  -0.015   0.000   0.306   0.000   0.008  -0.338   0.069   0.000  -0.089   0.000   0.000
  0.000   0.110   0.000   1.764   0.000   0.000  -0.090   0.000   0.315   0.000   0.000   0.000   0.024   0.000  -0.020  -0.001
  0.004   0.000  -0.037   0.000   1.944  -0.009   0.000   0.016   0.000   0.085  -0.087   0.004   0.000  -0.028   0.000   0.000
  0.097   0.000  -0.015   0.000  -0.009   0.035   0.000  -0.044   0.000   0.004  -0.080   0.032   0.000   0.026   0.000   0.000
  0.000   0.216   0.000  -0.090   0.000   0.000   0.157   0.000  -0.086   0.000   0.000   0.000  -0.050   0.000   0.029   0.006
 -0.030   0.000   0.306   0.000   0.016  -0.044   0.000   0.534   0.000   0.026   0.458  -0.286   0.000  -0.220   0.000   0.000
  0.000  -0.090   0.000   0.315   0.000   0.000  -0.086   0.000   0.258   0.000   0.000   0.000   0.029   0.000  -0.084  -0.003
 -0.009   0.000   0.008   0.000   0.085   0.004   0.000   0.026   0.000   0.041   0.053  -0.018   0.000  -0.014   0.000   0.000
  0.096   0.000  -0.338   0.000  -0.087  -0.080   0.000   0.458   0.000   0.053   0.943  -0.353   0.000  -0.218   0.000   0.000
 -0.013   0.000   0.069   0.000   0.004   0.032   0.000  -0.286   0.000  -0.018  -0.353   0.240   0.000   0.141   0.000   0.000
  0.000   0.004   0.000   0.024   0.000   0.000  -0.050   0.000   0.029   0.000   0.000   0.000   0.021   0.000  -0.011  -0.001
  0.037   0.000  -0.089   0.000  -0.028   0.026   0.000  -0.220   0.000  -0.014  -0.218   0.141   0.000   0.102   0.000   0.000
  0.000   0.024   0.000  -0.020   0.000   0.000   0.029   0.000  -0.084   0.000   0.000   0.000  -0.011   0.000   0.035   0.001
  0.000   0.034   0.000  -0.001   0.000   0.000   0.006   0.000  -0.003   0.000   0.000   0.000  -0.001   0.000   0.001   0.001
 -0.002   0.000   0.036   0.000   0.001  -0.002   0.000   0.022   0.000   0.001   0.009  -0.011   0.000  -0.009   0.000   0.000
  0.000  -0.001   0.000   0.035   0.000   0.000  -0.003   0.000   0.010   0.000   0.000   0.000   0.001   0.000  -0.002   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.453   0.117   8.190   8.760
  2        0.863   1.781   0.000   2.644
  3        0.863   1.781   0.000   2.644
  4        0.863   1.782   0.000   2.645
  5        0.864   1.784   0.000   2.648
  6        0.864   1.782   0.000   2.646
  7        0.864   1.782   0.000   2.646
  8        0.863   1.782   0.000   2.645
  9        0.863   1.780   0.000   2.643
 10        0.863   1.786   0.000   2.649
 11        0.864   1.781   0.000   2.645
 12        0.864   1.784   0.000   2.648
 13        0.864   1.784   0.000   2.648
 14        0.864   1.773   0.000   2.637
 15        0.849   1.752   0.000   2.601
 16        0.863   1.786   0.000   2.649
 17        0.863   1.782   0.000   2.645
 18        0.863   1.782   0.000   2.645
 19        0.862   1.781   0.000   2.643
 20        0.864   1.770   0.000   2.634
 21        0.863   1.780   0.000   2.643
 22        0.863   1.782   0.000   2.645
 23        0.863   1.782   0.000   2.645
 24        0.863   1.782   0.000   2.645
 25        0.864   1.783   0.000   2.648
 26        0.863   1.782   0.000   2.645
 27        0.863   1.782   0.000   2.645
 28        0.863   1.782   0.000   2.645
 29        0.864   1.783   0.000   2.648
 30        0.863   1.782   0.000   2.645
 31        0.863   1.782   0.000   2.645
 32        0.863   1.782   0.000   2.645
 33        0.863   1.780   0.000   2.643
 34        0.864   1.770   0.000   2.634
 35        0.862   1.781   0.000   2.643
 36        0.863   1.782   0.000   2.645
 37        0.864   1.784   0.000   2.648
 38        0.863   1.786   0.000   2.649
 39        0.849   1.752   0.000   2.601
 40        0.864   1.773   0.000   2.637
 41        0.864   1.784   0.000   2.648
 42        0.864   1.782   0.000   2.646
 43        0.864   1.781   0.000   2.645
 44        0.863   1.786   0.000   2.649
 45        0.863   1.780   0.000   2.643
 46        0.863   1.782   0.000   2.645
 47        0.863   1.781   0.000   2.644
 48        0.864   1.782   0.000   2.646
 49        0.864   1.784   0.000   2.648
 50        0.863   1.782   0.000   2.645
 51        0.863   1.781   0.000   2.644
------------------------------------------------
tot       43.594  89.131   8.190 140.915
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


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


    CHARGE:  VPU time   89.88: CPU time   45.37
    FORLOC:  VPU time    0.98: CPU time    0.98
    FORNL :  VPU time  359.58: CPU time  180.42
    STRESS:  VPU time 1077.03: CPU time  541.12
    FORCOR:  VPU time    7.46: CPU time    7.46
    FORHAR:  VPU time    1.87: CPU time    1.88
    MIXING:  VPU time    0.13: CPU time    0.13
 d Force =-0.3124666E-03[-0.846E-03, 0.221E-03]  d Energy =-0.2927056E-03-0.198E-04
 d Force = 0.3733285E+00[ 0.371E+00, 0.376E+00]  d Ewald  = 0.7303475E+01-0.693E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -463.179483 eV

  energy  without entropy=     -463.179483  energy(sigma->0) =     -463.179483
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     92.66     92.66     92.66
  Ewald    40643.57  40618.09 -47386.05    -22.07      0.00      0.00
  Hartree  40129.54  40117.00 -39445.60    -10.86      0.00      0.00
  E(xc)     -773.66   -773.78   -801.35     -0.10      0.00      0.00
  Local   -83049.97 -83015.87  84163.08     29.53      0.00      0.00
  n-local   -218.59   -215.32   -211.01      1.66      0.00      0.00
  augment     20.97     21.42     18.80      0.39      0.00      0.00
  Kinetic   3151.13   3159.65   3569.24     -0.28      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.53      0.02     -0.23      0.48      0.00      0.00
  in kB       -0.32      0.01     -0.14      0.29      0.00      0.00
  external pressure =       -0.15 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.352871513 -0.000704513  0.000000000     0.080955504  0.046745908  0.000000000
    -6.177052528 10.697543877  0.000000000     0.000005332  0.093482480  0.000000000
     0.000000000  0.000000000 19.963986577     0.000000000  0.000000000  0.050090196

  length of vectors
    12.352871533 12.352871040 19.963986577     0.093482477  0.093482480  0.050090196


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.903E-05 -.402E-04 -.112E+04   0.596E-05 -.295E-04 0.112E+04   -.163E-21 0.102E-20 0.489E+01   -.282E-08 0.177E-09 -.633E-02
   -.182E+01 0.105E+01 0.208E+02   0.183E+01 -.106E+01 -.208E+02   0.166E-01 -.958E-02 0.204E-01   -.134E-02 0.773E-03 -.108E-02
   0.502E+01 0.613E+01 0.234E+02   -.499E+01 -.617E+01 -.234E+02   0.696E-02 0.107E-01 -.152E-02   -.584E-03 0.327E-02 -.617E-04
   0.985E+01 0.533E+01 0.189E+02   -.983E+01 -.536E+01 -.189E+02   0.130E-01 0.629E-02 -.574E-01   -.659E-04 0.214E-02 0.620E-03
   0.381E+01 -.110E+01 0.175E+02   -.380E+01 0.110E+01 -.176E+02   0.302E-01 -.309E-01 0.310E-01   -.833E-03 0.894E-03 0.200E-03
   -.246E+01 -.235E+01 0.164E+02   0.250E+01 0.235E+01 -.164E+02   0.259E-03 -.178E-01 0.282E-01   -.193E-02 0.629E-04 -.108E-02
   0.807E+00 0.331E+01 0.164E+02   -.788E+00 -.334E+01 -.164E+02   0.155E-01 0.865E-02 0.282E-01   -.102E-02 0.163E-02 -.109E-02
   0.286E+01 0.169E+02 0.264E+02   -.285E+01 -.169E+02 -.264E+02   0.320E-01 0.270E-01 0.423E-01   -.191E-02 0.520E-02 0.161E-02
   0.190E+02 0.228E+02 0.354E+02   -.191E+02 -.229E+02 -.353E+02   0.550E-01 0.154E+00 -.135E+00   0.628E-03 -.257E-03 0.252E-02
   0.253E+02 -.518E+01 0.216E+02   -.254E+02 0.527E+01 -.216E+02   0.196E+00 -.110E+00 0.621E-01   -.163E-02 0.189E-03 0.142E-02
   0.872E+01 -.504E+01 0.146E+02   -.868E+01 0.501E+01 -.147E+02   -.157E-01 0.905E-02 0.469E-01   -.324E-03 0.182E-03 -.243E-03
   0.285E+01 -.275E+01 0.175E+02   -.286E+01 0.274E+01 -.176E+02   0.419E-01 -.106E-01 0.310E-01   -.119E-02 0.271E-03 0.191E-03
   -.569E+01 0.121E+02 0.199E+02   0.571E+01 -.121E+02 -.200E+02   0.249E-01 0.324E-01 0.329E-01   -.268E-02 0.241E-02 0.109E-02
   -.120E+02 0.327E+02 0.320E+02   0.120E+02 -.331E+02 -.325E+02   0.367E-01 0.451E+00 0.540E+00   -.499E-02 0.287E-02 0.143E-02
   0.342E+02 -.197E+02 0.346E+02   -.355E+02 0.205E+02 -.374E+02   0.129E+01 -.747E+00 0.275E+01   0.270E-02 -.156E-02 -.157E-02
   0.171E+02 -.193E+02 0.216E+02   -.173E+02 0.194E+02 -.216E+02   0.193E+00 -.115E+00 0.621E-01   -.981E-03 0.131E-02 0.142E-02
   0.313E+00 -.112E+02 0.189E+02   -.273E+00 0.112E+02 -.189E+02   0.108E-02 -.144E-01 -.574E-01   -.189E-02 -.102E-02 0.614E-03
   -.368E+01 0.111E+01 0.146E+02   0.371E+01 -.113E+01 -.146E+02   0.232E-02 0.217E-02 -.438E-01   -.210E-02 0.261E-03 -.728E-03
   -.163E+02 0.944E+01 0.155E+02   0.164E+02 -.947E+01 -.153E+02   -.144E-01 0.830E-02 -.160E+00   -.269E-02 0.156E-02 0.145E-02
   -.343E+02 -.593E+01 0.320E+02   0.347E+02 0.617E+01 -.325E+02   -.372E+00 -.257E+00 0.540E+00   -.498E-02 0.288E-02 0.143E-02
   -.102E+02 -.279E+02 0.354E+02   0.103E+02 0.280E+02 -.353E+02   -.106E+00 -.125E+00 -.135E+00   0.539E-03 -.419E-03 0.252E-02
   -.280E+01 -.741E+01 0.234E+02   0.285E+01 0.740E+01 -.234E+02   -.576E-02 -.114E-01 -.152E-02   -.313E-02 -.113E-02 -.625E-04
   0.648E+00 -.374E+00 0.167E+02   -.621E+00 0.358E+00 -.166E+02   0.797E-02 -.460E-02 -.339E-01   -.140E-02 0.812E-03 -.151E-02
   -.280E+01 0.263E+01 0.146E+02   0.283E+01 -.265E+01 -.146E+02   -.720E-03 -.310E-02 -.438E-01   -.128E-02 0.169E-02 -.723E-03
   -.133E+02 -.111E+01 0.199E+02   0.134E+02 0.112E+01 -.200E+02   -.157E-01 -.377E-01 0.329E-01   -.343E-02 0.112E-02 0.110E-02
   -.132E+02 -.109E+02 0.264E+02   0.132E+02 0.109E+02 -.264E+02   -.741E-02 -.412E-01 0.423E-01   -.546E-02 -.946E-03 0.162E-02
   0.280E+01 0.741E+01 0.234E+02   -.285E+01 -.740E+01 -.234E+02   0.576E-02 0.114E-01 -.152E-02   0.313E-02 0.113E-02 -.625E-04
   0.132E+02 0.109E+02 0.264E+02   -.132E+02 -.109E+02 -.264E+02   0.741E-02 0.412E-01 0.423E-01   0.546E-02 0.946E-03 0.162E-02
   0.133E+02 0.111E+01 0.199E+02   -.134E+02 -.112E+01 -.200E+02   0.157E-01 0.377E-01 0.329E-01   0.343E-02 -.112E-02 0.110E-02
   0.280E+01 -.263E+01 0.146E+02   -.283E+01 0.265E+01 -.146E+02   0.720E-03 0.310E-02 -.438E-01   0.128E-02 -.169E-02 -.723E-03
   -.648E+00 0.374E+00 0.167E+02   0.621E+00 -.358E+00 -.166E+02   -.797E-02 0.460E-02 -.339E-01   0.140E-02 -.812E-03 -.151E-02
   -.313E+00 0.112E+02 0.189E+02   0.273E+00 -.112E+02 -.189E+02   -.108E-02 0.144E-01 -.574E-01   0.189E-02 0.102E-02 0.614E-03
   0.102E+02 0.279E+02 0.354E+02   -.103E+02 -.280E+02 -.353E+02   0.106E+00 0.125E+00 -.135E+00   -.539E-03 0.419E-03 0.252E-02
   0.343E+02 0.593E+01 0.320E+02   -.347E+02 -.617E+01 -.325E+02   0.372E+00 0.257E+00 0.540E+00   0.498E-02 -.288E-02 0.143E-02
   0.163E+02 -.944E+01 0.155E+02   -.164E+02 0.947E+01 -.153E+02   0.144E-01 -.830E-02 -.160E+00   0.269E-02 -.156E-02 0.145E-02
   0.368E+01 -.111E+01 0.146E+02   -.371E+01 0.113E+01 -.146E+02   -.232E-02 -.217E-02 -.438E-01   0.210E-02 -.261E-03 -.728E-03
   -.285E+01 0.275E+01 0.175E+02   0.286E+01 -.274E+01 -.176E+02   -.419E-01 0.106E-01 0.310E-01   0.119E-02 -.271E-03 0.191E-03
   -.171E+02 0.193E+02 0.216E+02   0.173E+02 -.194E+02 -.216E+02   -.193E+00 0.115E+00 0.621E-01   0.982E-03 -.131E-02 0.142E-02
   -.342E+02 0.197E+02 0.346E+02   0.355E+02 -.205E+02 -.374E+02   -.129E+01 0.747E+00 0.275E+01   -.270E-02 0.156E-02 -.157E-02
   0.120E+02 -.327E+02 0.320E+02   -.120E+02 0.331E+02 -.325E+02   -.367E-01 -.451E+00 0.540E+00   0.499E-02 -.287E-02 0.143E-02
   0.569E+01 -.121E+02 0.199E+02   -.571E+01 0.121E+02 -.200E+02   -.249E-01 -.324E-01 0.329E-01   0.268E-02 -.241E-02 0.109E-02
   -.807E+00 -.331E+01 0.164E+02   0.788E+00 0.334E+01 -.164E+02   -.155E-01 -.865E-02 0.282E-01   0.102E-02 -.163E-02 -.109E-02
   -.872E+01 0.504E+01 0.146E+02   0.868E+01 -.501E+01 -.147E+02   0.157E-01 -.905E-02 0.469E-01   0.324E-03 -.183E-03 -.243E-03
   -.253E+02 0.518E+01 0.216E+02   0.254E+02 -.527E+01 -.216E+02   -.196E+00 0.110E+00 0.621E-01   0.163E-02 -.189E-03 0.142E-02
   -.190E+02 -.228E+02 0.354E+02   0.191E+02 0.229E+02 -.353E+02   -.550E-01 -.154E+00 -.135E+00   -.629E-03 0.257E-03 0.252E-02
   -.286E+01 -.169E+02 0.264E+02   0.285E+01 0.169E+02 -.264E+02   -.320E-01 -.270E-01 0.423E-01   0.191E-02 -.520E-02 0.161E-02
   0.182E+01 -.105E+01 0.208E+02   -.183E+01 0.106E+01 -.208E+02   -.166E-01 0.958E-02 0.204E-01   0.134E-02 -.773E-03 -.108E-02
   0.246E+01 0.235E+01 0.164E+02   -.250E+01 -.235E+01 -.164E+02   -.259E-03 0.178E-01 0.282E-01   0.193E-02 -.629E-04 -.108E-02
   -.381E+01 0.110E+01 0.175E+02   0.380E+01 -.110E+01 -.176E+02   -.302E-01 0.309E-01 0.310E-01   0.833E-03 -.894E-03 0.200E-03
   -.985E+01 -.533E+01 0.189E+02   0.983E+01 0.536E+01 -.189E+02   -.130E-01 -.629E-02 -.574E-01   0.659E-04 -.214E-02 0.620E-03
   -.502E+01 -.613E+01 0.234E+02   0.499E+01 0.617E+01 -.234E+02   -.696E-02 -.107E-01 -.152E-02   0.584E-03 -.327E-02 -.617E-04
 -----------------------------------------------------------------------------------------------
   -.185E-02 0.339E-03 -.121E+02   -.210E-12 -.480E-13 0.416E-12   0.195E-15 0.141E-15 0.121E+02   0.295E-07 -.226E-07 0.159E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85258      6.06164     12.22585         0.000000      0.000000      0.002731
     -6.17678     10.69738      9.91212         0.034381     -0.019850     -0.004183
     11.11664      2.13808      9.91640         0.038284     -0.021427     -0.001996
      9.87946      4.27832      9.94284         0.039895     -0.022774      0.000119
      8.64507      6.41807      9.94200         0.034958     -0.022137     -0.000203
     -4.93955      8.55825      9.93177         0.034016     -0.018908     -0.003812
     -3.70562     10.69548      9.93177         0.033383     -0.020005     -0.003812
      1.23499      2.13775      9.94246         0.039003     -0.030585      0.000993
     -0.00641      4.27810     10.00357         0.038336     -0.010119      0.004052
     -1.24314      6.41651     10.01154         0.041939     -0.017536      0.004552
     -2.46899      8.55670      9.95803         0.027628     -0.015951     -0.000547
      4.94015      0.00096      9.94200         0.036651     -0.019206     -0.000203
      3.70610      2.13427      9.95800         0.037677     -0.021717      0.000770
      2.47346      4.25388     10.08910         0.032645     -0.023526      0.000475
      1.21611      6.42910     10.25939         0.021317     -0.012307      0.002536
     -0.00261      8.56517     10.01154         0.036156     -0.027553      0.004552
      7.41043      0.00181      9.94284         0.039671     -0.023163      0.000119
      6.17556      2.13900      9.94351         0.031757     -0.015311     -0.002984
      4.94305      4.27735     10.00032         0.030269     -0.017476      0.001532
      3.72858      6.42782     10.08910         0.036697     -0.016508      0.000475
      2.46767      8.56334     10.00357         0.027932     -0.028140      0.004052
      9.88252      0.00051      9.91640         0.037699     -0.022441     -0.001996
      8.64555      2.13971      9.92336         0.033525     -0.019356     -0.004631
      7.41118      4.27915      9.94351         0.029139     -0.019847     -0.002984
      6.18054      6.42013      9.95800         0.037646     -0.021771      0.000770
      4.94197      8.55843      9.94246         0.045989     -0.018485      0.000993
     -0.00030      1.42522      9.91640        -0.037699      0.022441     -0.001996
     -1.23681      3.56485      9.94246        -0.045989      0.018485      0.000993
     -2.47538      5.70314      9.95800        -0.037646      0.021771      0.000770
     -3.70601      7.84413      9.94351        -0.029139      0.019847     -0.002984
     -4.94039      9.98356      9.92336        -0.033525      0.019356     -0.004631
      2.47179      1.42391      9.94284        -0.039671      0.023163      0.000119
      1.23749      3.55994     10.00357        -0.027932      0.028140      0.004052
     -0.02342      5.69546     10.08910        -0.036697      0.016508      0.000475
     -1.23789      7.84592     10.00032        -0.030269      0.017476      0.001532
     -2.47040      9.98427      9.94351        -0.031757      0.015311     -0.002984
      4.94206      1.42477      9.94200        -0.036651      0.019206     -0.000203
      3.70777      3.55810     10.01154        -0.036156      0.027553      0.004552
      2.48905      5.69417     10.25939        -0.021317      0.012307      0.002536
      1.23170      7.86939     10.08910        -0.032645      0.023526      0.000475
     -0.00094      9.98901      9.95800        -0.037677      0.021717      0.000770
      7.41078      1.42779      9.93177        -0.033383      0.020005     -0.003812
      6.17415      3.56658      9.95803        -0.027628      0.015951     -0.000547
      4.94830      5.70676     10.01154        -0.041939      0.017536      0.004552
      3.71157      7.84517     10.00357        -0.038336      0.010119      0.004052
      2.47017      9.98552      9.94246        -0.039003      0.030585      0.000993
      9.88194      1.42589      9.91212        -0.034381      0.019850     -0.004183
      8.64471      3.56502      9.93177        -0.034016      0.018908     -0.003812
      7.41297      5.70450      9.94200        -0.034958      0.022137     -0.000203
      6.17857      7.84425      9.94284        -0.039895      0.022774      0.000119
      4.94139      9.98449      9.91640        -0.038284      0.021427     -0.001996
 -----------------------------------------------------------------------------------
    total drift:                               -0.001846      0.000339      0.000472


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


 Steepest descent step on ions:
 trial-energy change:    0.000293  1 .order    0.000380   -0.000339    0.001099
  (g-gl).g = 0.339E-03      g.g   = 0.339E-03  gl.gl    = 0.000E+00
 g(Force)  = 0.221E-03   g(Stress)= 0.118E-03 ortho     = 0.000E+00
 gamma     =   0.00000
 trial     =   1.00000
 opt step  =   0.23591  (harmonic =   0.23591) maximal distance =0.00012497
 next E    =  -463.179816   (d E  =  -0.00004)


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


    WAVPRE:  VPU time    1.38: CPU time    1.38
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.18: CPU time    1.18
    ORTHCH:  VPU time  148.64: CPU time   74.66
     LOOP+:  VPU time 6232.04: CPU time 3184.39


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


    POTLOK:  VPU time    7.71: CPU time    7.62
    SETDIJ:  VPU time    0.28: CPU time    0.27
    EDDAV :  VPU time 1483.79: CPU time  757.57
 BZINTS: Fermi energy: -2.866350;210.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.18: CPU time   45.47
    MIXING:  VPU time    0.11: CPU time    0.11
    ------------------------------------------
      LOOP:  VPU time 1582.13: CPU time  811.08

 eigenvalue-minimisations  :  6176
 total energy-change (2. order) :-0.4631800E+03  (-0.2517207E-02)
 number of electron  210.0000059 magnetization    0.0000000
 augmentation part     8.0668539 magnetization   -0.0000001

 Broyden mixing:
  rms(total) = 0.57608E-02    rms(broyden)= 0.57582E-02
  rms(prec ) = 0.62137E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        92.65872319
  Ewald energy   TEWEN  =     33881.21239320
  -1/2 Hartree   DENC   =    -40805.76509777
  -V(xc)+E(xc)   XCENC  =       721.15020281
  PAW double counting   =      4067.96365202    -4104.49999889
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2402.43410259
  atomic energy  EATOM  =      8086.53425045
  ---------------------------------------------------
  free energy    TOTEN  =      -463.17997757 eV

  energy without entropy =     -463.17997757  energy(sigma->0) =     -463.17997757


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




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


    POTLOK:  VPU time    7.62: CPU time    7.62
    SETDIJ:  VPU time    0.28: CPU time    0.27
    EDDAV :  VPU time 1449.95: CPU time  740.35
 BZINTS: Fermi energy: -2.865238;210.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1457.91: CPU time  748.28

 eigenvalue-minimisations  :  5988
 total energy-change (2. order) : 0.1911796E-04  (-0.7608618E-04)
 number of electron  210.0000059 magnetization    0.0000000
 augmentation part     8.0668539 magnetization   -0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        92.65872319
  Ewald energy   TEWEN  =     33881.21239320
  -1/2 Hartree   DENC   =    -40805.94409557
  -V(xc)+E(xc)   XCENC  =       721.15535921
  PAW double counting   =      4068.12058342    -4104.65889731
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2402.25827505
  atomic energy  EATOM  =      8086.53425045
  ---------------------------------------------------
  free energy    TOTEN  =      -463.17995845 eV

  energy without entropy =     -463.17995845  energy(sigma->0) =     -463.17995845


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.6991
  (the norm of the test charge is              1.0000)
       1 -57.8814       2 -58.0688       3 -58.0609       4 -58.0660       5 -58.0624
       6 -58.0649       7 -58.0648       8 -58.0683       9 -58.0986      10 -58.0718
      11 -58.0749      12 -58.0624      13 -58.0686      14 -58.2035      15 -58.6725
      16 -58.0718      17 -58.0661      18 -58.0646      19 -58.0705      20 -58.2035
      21 -58.0986      22 -58.0610      23 -58.0624      24 -58.0646      25 -58.0686
      26 -58.0683      27 -58.0609      28 -58.0682      29 -58.0685      30 -58.0645
      31 -58.0623      32 -58.0660      33 -58.0985      34 -58.2034      35 -58.0704
      36 -58.0645      37 -58.0623      38 -58.0717      39 -58.6725      40 -58.2034
      41 -58.0685      42 -58.0647      43 -58.0748      44 -58.0717      45 -58.0985
      46 -58.0682      47 -58.0687      48 -58.0647      49 -58.0623      50 -58.0660
      51 -58.0609
 
 
 
 E-fermi :  -2.8652     XC(G=0):  -2.3248     alpha+bet : -1.9785
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.1457      1.00000
      2     -21.3041      1.00000
      3     -21.2029      1.00000
      4     -21.1903      1.00000
      5     -21.1895      1.00000
      6     -21.1697      1.00000
      7     -21.1690      1.00000
      8     -19.4486      1.00000
      9     -19.3688      1.00000
     10     -19.3662      1.00000
     11     -19.3567      1.00000
     12     -19.3370      1.00000
     13     -19.3344      1.00000
     14     -18.5431      1.00000
     15     -18.4805      1.00000
     16     -18.4762      1.00000
     17     -18.4488      1.00000
     18     -18.4469      1.00000
     19     -18.4364      1.00000
     20     -16.4107      1.00000
     21     -16.3270      1.00000
     22     -16.3207      1.00000
     23     -16.3142      1.00000
     24     -16.2996      1.00000
     25     -16.2974      1.00000
     26     -15.3828      1.00000
     27     -15.3363      1.00000
     28     -15.3033      1.00000
     29     -15.2994      1.00000
     30     -15.2956      1.00000
     31     -15.2827      1.00000
     32     -14.0337      1.00000
     33     -13.9969      1.00000
     34     -13.9715      1.00000
     35     -13.9675      1.00000
     36     -13.9546      1.00000
     37     -13.9434      1.00000
     38     -11.7560      1.00000
     39     -11.6414      1.00000
     40     -11.6027      1.00000
     41     -11.5925      1.00000
     42     -11.5902      1.00000
     43     -11.5865      1.00000
     44     -11.5024      1.00000
     45     -11.5021      1.00000
     46     -11.4823      1.00000
     47     -11.4627      1.00000
     48     -11.4578      1.00000
     49     -11.4566      1.00000
     50     -10.4106      1.00000
     51     -10.1524      1.00000
     52     -10.1324      1.00000
     53     -10.1118      1.00000
     54     -10.1088      1.00000
     55     -10.0923      1.00000
     56     -10.0643      1.00000
     57      -9.5589      1.00000
     58      -9.2109      1.00000
     59      -9.1663      1.00000
     60      -9.1260      1.00000
     61      -9.1067      1.00000
     62      -9.1052      1.00000
     63      -8.9301      1.00000
     64      -8.8544      1.00000
     65      -8.8522      1.00000
     66      -8.8405      1.00000
     67      -8.8327      1.00000
     68      -8.8073      1.00000
     69      -8.8046      1.00000
     70      -8.8018      1.00000
     71      -8.7983      1.00000
     72      -8.7814      1.00000
     73      -8.7603      1.00000
     74      -8.7571      1.00000
     75      -7.5291      1.00000
     76      -7.3233      1.00000
     77      -7.2635      1.00000
     78      -7.2287      1.00000
     79      -7.1795      1.00000
     80      -7.1744      1.00000
     81      -7.1508      1.00000
     82      -7.1492      1.00000
     83      -6.9973      1.00000
     84      -6.9908      1.00000
     85      -6.9892      1.00000
     86      -6.9789      1.00000
     87      -6.4128      1.00000
     88      -6.3775      1.00000
     89      -6.1647      1.00000
     90      -6.1322      1.00000
     91      -6.0989      1.00000
     92      -6.0966      1.00000
     93      -5.7248      1.00000
     94      -5.6801      1.00000
     95      -5.0830      1.00000
     96      -4.7015      1.00000
     97      -4.3191      1.00000
     98      -4.2637      1.00000
     99      -4.1388      1.00000
    100      -4.1337      1.00000
    101      -4.0543      1.00000
    102      -3.9299      1.00000
    103      -3.5985      1.00000
    104      -3.5091      1.00000
    105      -3.4918      1.00000
    106      -2.3382      0.00000
    107      -1.3506      0.00000
    108      -1.3280      0.00000
    109      -1.3211      0.00000
    110      -1.3195      0.00000
    111      -1.2434      0.00000
    112      -1.2014      0.00000
    113       0.3376      0.00000
    114       0.4244      0.00000
    115       0.4727      0.00000
    116       0.5035      0.00000
    117       0.5214      0.00000
    118       0.5215      0.00000
    119       0.7505      0.00000
    120       1.3461      0.00000
    121       1.3778      0.00000
    122       1.3866      0.00000
    123       1.6584      0.00000
    124       1.8784      0.00000
    125       1.8901      0.00000
    126       1.9026      0.00000
    127       2.0775      0.00000
    128       2.1175      0.00000
    129       2.2214      0.00000
    130       2.2255      0.00000
    131       2.2316      0.00000
    132       2.2386      0.00000
    133       2.2596      0.00000
    134       2.3743      0.00000
    135       2.4508      0.00000
    136       2.4942      0.00000
    137       2.6205      0.00000
    138       2.6432      0.00000
    139       2.6789      0.00000
    140       2.8384      0.00000
    141       2.9206      0.00000
    142       2.9233      0.00000
    143       3.0064      0.00000
    144       3.0103      0.00000
    145       3.0332      0.00000
    146       3.0435      0.00000
    147       3.4324      0.00000
    148       3.4703      0.00000
    149       3.5980      0.00000
    150       3.8841      0.00000
    151       3.9068      0.00000
    152       3.9279      0.00000
    153       3.9367      0.00000
    154       3.9747      0.00000
    155       4.0290      0.00000
    156       4.0679      0.00000
    157       4.2188      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.1086      1.00000
      2     -21.5486      1.00000
      3     -21.3689      1.00000
      4     -21.3365      1.00000
      5     -20.9985      1.00000
      6     -20.9631      1.00000
      7     -20.7894      1.00000
      8     -19.8965      1.00000
      9     -19.8581      1.00000
     10     -19.3483      1.00000
     11     -19.3170      1.00000
     12     -19.1514      1.00000
     13     -18.8274      1.00000
     14     -18.7912      1.00000
     15     -18.7794      1.00000
     16     -18.7664      1.00000
     17     -18.1030      1.00000
     18     -18.0766      1.00000
     19     -17.7561      1.00000
     20     -16.8171      1.00000
     21     -16.7613      1.00000
     22     -16.6908      1.00000
     23     -16.6716      1.00000
     24     -16.2147      1.00000
     25     -16.1903      1.00000
     26     -15.3655      1.00000
     27     -15.3327      1.00000
     28     -15.0121      1.00000
     29     -14.9698      1.00000
     30     -14.9107      1.00000
     31     -14.8327      1.00000
     32     -14.8038      1.00000
     33     -14.4450      1.00000
     34     -14.4262      1.00000
     35     -13.4822      1.00000
     36     -13.4565      1.00000
     37     -12.9782      1.00000
     38     -12.3746      1.00000
     39     -12.3205      1.00000
     40     -12.1952      1.00000
     41     -12.1765      1.00000
     42     -11.8849      1.00000
     43     -11.8456      1.00000
     44     -11.4746      1.00000
     45     -11.4187      1.00000
     46     -11.0085      1.00000
     47     -10.9665      1.00000
     48     -10.7818      1.00000
     49     -10.7452      1.00000
     50     -10.6837      1.00000
     51     -10.6384      1.00000
     52     -10.3069      1.00000
     53      -9.9015      1.00000
     54      -9.8996      1.00000
     55      -9.8532      1.00000
     56      -9.6923      1.00000
     57      -9.4791      1.00000
     58      -9.4441      1.00000
     59      -9.3840      1.00000
     60      -9.3565      1.00000
     61      -9.3178      1.00000
     62      -9.2679      1.00000
     63      -9.0632      1.00000
     64      -9.0477      1.00000
     65      -9.0032      1.00000
     66      -8.9529      1.00000
     67      -8.8880      1.00000
     68      -8.8535      1.00000
     69      -8.8417      1.00000
     70      -8.6826      1.00000
     71      -8.6164      1.00000
     72      -8.3737      1.00000
     73      -8.3414      1.00000
     74      -7.8590      1.00000
     75      -7.8171      1.00000
     76      -7.6407      1.00000
     77      -7.6052      1.00000
     78      -7.5056      1.00000
     79      -7.4980      1.00000
     80      -7.1534      1.00000
     81      -7.1322      1.00000
     82      -7.0961      1.00000
     83      -7.0531      1.00000
     84      -6.8607      1.00000
     85      -6.7692      1.00000
     86      -6.6327      1.00000
     87      -6.5397      1.00000
     88      -6.4282      1.00000
     89      -6.3704      1.00000
     90      -5.9181      1.00000
     91      -5.8936      1.00000
     92      -5.8747      1.00000
     93      -5.7571      1.00000
     94      -5.5451      1.00000
     95      -5.1408      1.00000
     96      -4.8151      1.00000
     97      -4.5259      1.00000
     98      -4.4358      1.00000
     99      -4.2580      1.00000
    100      -4.1746      1.00000
    101      -4.0552      1.00000
    102      -3.8907      1.00000
    103      -3.5669      1.00000
    104      -3.4929      1.00000
    105      -3.4643      1.00000
    106      -2.3538      0.00000
    107      -1.4936      0.00000
    108      -1.4288      0.00000
    109      -1.0685      0.00000
    110      -1.0504      0.00000
    111      -1.0201      0.00000
    112      -0.9870      0.00000
    113      -0.3654      0.00000
    114       0.0092      0.00000
    115       0.0373      0.00000
    116       0.7631      0.00000
    117       0.8559      0.00000
    118       0.9473      0.00000
    119       1.1028      0.00000
    120       1.2887      0.00000
    121       1.3435      0.00000
    122       1.4354      0.00000
    123       1.4678      0.00000
    124       1.5359      0.00000
    125       1.6982      0.00000
    126       1.7589      0.00000
    127       1.9512      0.00000
    128       1.9627      0.00000
    129       2.0795      0.00000
    130       2.1547      0.00000
    131       2.3187      0.00000
    132       2.3219      0.00000
    133       2.3462      0.00000
    134       2.4358      0.00000
    135       2.5652      0.00000
    136       2.7286      0.00000
    137       2.7575      0.00000
    138       2.7698      0.00000
    139       2.8235      0.00000
    140       2.9575      0.00000
    141       2.9751      0.00000
    142       3.0550      0.00000
    143       3.1051      0.00000
    144       3.1286      0.00000
    145       3.2667      0.00000
    146       3.2828      0.00000
    147       3.4244      0.00000
    148       3.4750      0.00000
    149       3.5459      0.00000
    150       3.6210      0.00000
    151       3.6553      0.00000
    152       3.7772      0.00000
    153       3.9324      0.00000
    154       3.9954      0.00000
    155       4.0634      0.00000
    156       4.0728      0.00000
    157       4.1291      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9993      1.00000
      2     -21.8028      1.00000
      3     -21.4447      1.00000
      4     -21.4111      1.00000
      5     -20.7052      1.00000
      6     -20.6669      1.00000
      7     -20.3434      1.00000
      8     -20.3048      1.00000
      9     -20.2939      1.00000
     10     -19.7638      1.00000
     11     -19.2443      1.00000
     12     -19.2098      1.00000
     13     -19.0462      1.00000
     14     -19.0254      1.00000
     15     -18.1849      1.00000
     16     -18.1416      1.00000
     17     -17.6706      1.00000
     18     -17.6385      1.00000
     19     -17.4966      1.00000
     20     -17.4574      1.00000
     21     -17.1820      1.00000
     22     -17.1568      1.00000
     23     -17.0811      1.00000
     24     -16.2097      1.00000
     25     -16.1872      1.00000
     26     -15.6927      1.00000
     27     -15.1653      1.00000
     28     -15.1355      1.00000
     29     -14.8475      1.00000
     30     -14.8211      1.00000
     31     -14.6153      1.00000
     32     -14.5801      1.00000
     33     -14.0299      1.00000
     34     -13.9923      1.00000
     35     -13.1876      1.00000
     36     -13.1401      1.00000
     37     -12.9373      1.00000
     38     -12.9081      1.00000
     39     -12.7134      1.00000
     40     -12.6982      1.00000
     41     -12.3771      1.00000
     42     -12.3467      1.00000
     43     -11.9460      1.00000
     44     -11.3423      1.00000
     45     -11.2752      1.00000
     46     -11.0733      1.00000
     47     -11.0222      1.00000
     48     -10.8958      1.00000
     49     -10.4564      1.00000
     50     -10.4059      1.00000
     51     -10.2281      1.00000
     52     -10.0616      1.00000
     53     -10.0525      1.00000
     54      -9.9344      1.00000
     55      -9.8584      1.00000
     56      -9.8496      1.00000
     57      -9.5565      1.00000
     58      -9.5186      1.00000
     59      -9.4709      1.00000
     60      -9.4413      1.00000
     61      -9.4240      1.00000
     62      -9.3883      1.00000
     63      -9.1087      1.00000
     64      -9.0935      1.00000
     65      -9.0598      1.00000
     66      -8.7971      1.00000
     67      -8.7061      1.00000
     68      -8.6199      1.00000
     69      -8.5470      1.00000
     70      -8.3531      1.00000
     71      -8.2725      1.00000
     72      -8.1421      1.00000
     73      -8.1270      1.00000
     74      -8.0840      1.00000
     75      -8.0252      1.00000
     76      -8.0046      1.00000
     77      -7.9970      1.00000
     78      -7.9740      1.00000
     79      -7.5426      1.00000
     80      -7.1472      1.00000
     81      -7.1102      1.00000
     82      -7.0941      1.00000
     83      -7.0006      1.00000
     84      -6.9660      1.00000
     85      -6.7326      1.00000
     86      -6.7259      1.00000
     87      -6.3813      1.00000
     88      -6.3148      1.00000
     89      -6.0550      1.00000
     90      -5.9942      1.00000
     91      -5.8155      1.00000
     92      -5.5981      1.00000
     93      -5.4690      1.00000
     94      -5.2969      1.00000
     95      -5.1349      1.00000
     96      -5.0660      1.00000
     97      -4.9715      1.00000
     98      -4.9690      1.00000
     99      -4.3837      1.00000
    100      -4.1411      1.00000
    101      -4.0911      1.00000
    102      -3.8393      1.00000
    103      -3.6089      1.00000
    104      -3.4150      1.00000
    105      -3.3902      1.00000
    106      -2.3683      0.00000
    107      -1.5889      0.00000
    108      -1.4942      0.00000
    109      -0.8812      0.00000
    110      -0.7589      0.00000
    111      -0.7420      0.00000
    112      -0.3968      0.00000
    113      -0.3781      0.00000
    114      -0.3632      0.00000
    115      -0.3469      0.00000
    116       0.4078      0.00000
    117       0.4743      0.00000
    118       0.8217      0.00000
    119       1.1173      0.00000
    120       1.1431      0.00000
    121       1.3767      0.00000
    122       1.4879      0.00000
    123       1.5181      0.00000
    124       1.6655      0.00000
    125       1.7835      0.00000
    126       1.8103      0.00000
    127       1.8391      0.00000
    128       1.9374      0.00000
    129       2.1114      0.00000
    130       2.1289      0.00000
    131       2.1799      0.00000
    132       2.4481      0.00000
    133       2.4899      0.00000
    134       2.6006      0.00000
    135       2.6593      0.00000
    136       2.7009      0.00000
    137       2.7511      0.00000
    138       2.8968      0.00000
    139       2.9529      0.00000
    140       3.0285      0.00000
    141       3.1231      0.00000
    142       3.2286      0.00000
    143       3.2440      0.00000
    144       3.4329      0.00000
    145       3.4417      0.00000
    146       3.4600      0.00000
    147       3.5174      0.00000
    148       3.5937      0.00000
    149       3.6710      0.00000
    150       3.6891      0.00000
    151       3.7223      0.00000
    152       3.7850      0.00000
    153       3.8444      0.00000
    154       3.9135      0.00000
    155       3.9312      0.00000
    156       3.9887      0.00000
    157       4.0802      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0351      1.00000
      2     -21.6745      1.00000
      3     -21.6328      1.00000
      4     -21.1031      1.00000
      5     -21.0829      1.00000
      6     -20.5567      1.00000
      7     -20.5153      1.00000
      8     -20.3523      1.00000
      9     -19.8028      1.00000
     10     -19.8021      1.00000
     11     -19.4469      1.00000
     12     -19.4271      1.00000
     13     -18.7248      1.00000
     14     -18.7232      1.00000
     15     -18.3717      1.00000
     16     -18.3605      1.00000
     17     -18.1936      1.00000
     18     -17.4242      1.00000
     19     -17.3630      1.00000
     20     -17.3476      1.00000
     21     -17.3258      1.00000
     22     -16.8563      1.00000
     23     -16.8423      1.00000
     24     -16.6941      1.00000
     25     -15.7300      1.00000
     26     -15.6791      1.00000
     27     -15.3220      1.00000
     28     -15.3082      1.00000
     29     -15.0459      1.00000
     30     -14.5984      1.00000
     31     -14.5660      1.00000
     32     -14.3208      1.00000
     33     -14.2846      1.00000
     34     -13.9065      1.00000
     35     -13.9042      1.00000
     36     -12.8812      1.00000
     37     -12.8238      1.00000
     38     -12.7877      1.00000
     39     -12.7648      1.00000
     40     -12.4539      1.00000
     41     -12.4507      1.00000
     42     -12.0684      1.00000
     43     -12.0512      1.00000
     44     -11.4253      1.00000
     45     -11.3785      1.00000
     46     -11.3115      1.00000
     47     -10.7155      1.00000
     48     -10.6633      1.00000
     49     -10.4026      1.00000
     50     -10.3764      1.00000
     51     -10.2485      1.00000
     52     -10.2423      1.00000
     53     -10.1873      1.00000
     54     -10.1817      1.00000
     55     -10.0926      1.00000
     56      -9.8140      1.00000
     57      -9.6508      1.00000
     58      -9.3565      1.00000
     59      -9.2982      1.00000
     60      -9.2616      1.00000
     61      -9.1532      1.00000
     62      -9.1363      1.00000
     63      -9.1153      1.00000
     64      -9.0732      1.00000
     65      -9.0381      1.00000
     66      -8.9358      1.00000
     67      -8.9010      1.00000
     68      -8.8538      1.00000
     69      -8.6111      1.00000
     70      -8.5995      1.00000
     71      -8.4761      1.00000
     72      -8.3504      1.00000
     73      -8.1969      1.00000
     74      -7.9593      1.00000
     75      -7.9191      1.00000
     76      -7.6807      1.00000
     77      -7.6094      1.00000
     78      -7.5721      1.00000
     79      -7.5718      1.00000
     80      -7.4603      1.00000
     81      -7.4476      1.00000
     82      -7.2069      1.00000
     83      -7.1468      1.00000
     84      -6.6845      1.00000
     85      -6.6576      1.00000
     86      -6.5634      1.00000
     87      -6.4277      1.00000
     88      -6.1898      1.00000
     89      -6.1182      1.00000
     90      -6.0612      1.00000
     91      -5.9692      1.00000
     92      -5.7995      1.00000
     93      -5.4215      1.00000
     94      -5.2404      1.00000
     95      -5.2046      1.00000
     96      -5.1156      1.00000
     97      -4.9720      1.00000
     98      -4.5203      1.00000
     99      -4.4621      1.00000
    100      -4.1330      1.00000
    101      -4.0939      1.00000
    102      -3.9730      1.00000
    103      -3.5988      1.00000
    104      -3.5453      1.00000
    105      -3.1024      1.00000
    106      -2.4586      0.00000
    107      -1.8281      0.00000
    108      -1.0212      0.00000
    109      -0.9644      0.00000
    110      -0.9326      0.00000
    111      -0.6837      0.00000
    112      -0.6803      0.00000
    113      -0.5471      0.00000
    114      -0.5464      0.00000
    115       0.4286      0.00000
    116       0.4377      0.00000
    117       0.5293      0.00000
    118       0.7931      0.00000
    119       1.0117      0.00000
    120       1.0879      0.00000
    121       1.2477      0.00000
    122       1.2824      0.00000
    123       1.6071      0.00000
    124       1.6562      0.00000
    125       1.6985      0.00000
    126       1.8278      0.00000
    127       2.0214      0.00000
    128       2.0380      0.00000
    129       2.0561      0.00000
    130       2.2410      0.00000
    131       2.2723      0.00000
    132       2.3745      0.00000
    133       2.5190      0.00000
    134       2.5677      0.00000
    135       2.6769      0.00000
    136       2.7612      0.00000
    137       2.8024      0.00000
    138       2.8476      0.00000
    139       2.8548      0.00000
    140       3.0962      0.00000
    141       3.1073      0.00000
    142       3.1519      0.00000
    143       3.1593      0.00000
    144       3.2353      0.00000
    145       3.2979      0.00000
    146       3.3981      0.00000
    147       3.4398      0.00000
    148       3.5556      0.00000
    149       3.5934      0.00000
    150       3.7128      0.00000
    151       3.7531      0.00000
    152       3.8355      0.00000
    153       3.9239      0.00000
    154       3.9462      0.00000
    155       3.9725      0.00000
    156       3.9903      0.00000
    157       4.0996      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9155      1.00000
      2     -21.8512      1.00000
      3     -21.6868      1.00000
      4     -21.1310      1.00000
      5     -20.7794      1.00000
      6     -20.7383      1.00000
      7     -20.2309      1.00000
      8     -20.1854      1.00000
      9     -20.0328      1.00000
     10     -20.0014      1.00000
     11     -19.6811      1.00000
     12     -19.6274      1.00000
     13     -18.6102      1.00000
     14     -18.5503      1.00000
     15     -18.0966      1.00000
     16     -18.0308      1.00000
     17     -17.8948      1.00000
     18     -17.8639      1.00000
     19     -17.5679      1.00000
     20     -17.5165      1.00000
     21     -17.0023      1.00000
     22     -16.9688      1.00000
     23     -16.9091      1.00000
     24     -16.8669      1.00000
     25     -15.8322      1.00000
     26     -15.6354      1.00000
     27     -15.5971      1.00000
     28     -15.5651      1.00000
     29     -14.9868      1.00000
     30     -14.3073      1.00000
     31     -14.2595      1.00000
     32     -14.0310      1.00000
     33     -13.7057      1.00000
     34     -13.6940      1.00000
     35     -13.5690      1.00000
     36     -13.5404      1.00000
     37     -13.3656      1.00000
     38     -13.3046      1.00000
     39     -13.0960      1.00000
     40     -12.3595      1.00000
     41     -11.9565      1.00000
     42     -11.8720      1.00000
     43     -11.8146      1.00000
     44     -11.7585      1.00000
     45     -11.4328      1.00000
     46     -11.3966      1.00000
     47     -10.9132      1.00000
     48     -10.8583      1.00000
     49     -10.5582      1.00000
     50     -10.4743      1.00000
     51     -10.1867      1.00000
     52      -9.9652      1.00000
     53      -9.9434      1.00000
     54      -9.9036      1.00000
     55      -9.7630      1.00000
     56      -9.7605      1.00000
     57      -9.7155      1.00000
     58      -9.5645      1.00000
     59      -9.5385      1.00000
     60      -9.5151      1.00000
     61      -9.5006      1.00000
     62      -9.2080      1.00000
     63      -9.1139      1.00000
     64      -8.8609      1.00000
     65      -8.8160      1.00000
     66      -8.7786      1.00000
     67      -8.6704      1.00000
     68      -8.6097      1.00000
     69      -8.4737      1.00000
     70      -8.4401      1.00000
     71      -8.3334      1.00000
     72      -8.2840      1.00000
     73      -8.2350      1.00000
     74      -8.2035      1.00000
     75      -8.1170      1.00000
     76      -7.9759      1.00000
     77      -7.8427      1.00000
     78      -7.7704      1.00000
     79      -7.6547      1.00000
     80      -7.5133      1.00000
     81      -7.3638      1.00000
     82      -7.2806      1.00000
     83      -6.7769      1.00000
     84      -6.6832      1.00000
     85      -6.6277      1.00000
     86      -6.5493      1.00000
     87      -6.3232      1.00000
     88      -6.2383      1.00000
     89      -6.1693      1.00000
     90      -5.9977      1.00000
     91      -5.7459      1.00000
     92      -5.5789      1.00000
     93      -5.5397      1.00000
     94      -5.3482      1.00000
     95      -5.1848      1.00000
     96      -5.0072      1.00000
     97      -4.9755      1.00000
     98      -4.9684      1.00000
     99      -4.5567      1.00000
    100      -4.1346      1.00000
    101      -4.0863      1.00000
    102      -3.9649      1.00000
    103      -3.6203      1.00000
    104      -3.5737      1.00000
    105      -2.9296      1.00000
    106      -2.4581      0.00000
    107      -2.0187      0.00000
    108      -0.9635      0.00000
    109      -0.9325      0.00000
    110      -0.9072      0.00000
    111      -0.8804      0.00000
    112      -0.2463      0.00000
    113      -0.2307      0.00000
    114      -0.0733      0.00000
    115      -0.0630      0.00000
    116       0.1939      0.00000
    117       0.2592      0.00000
    118       0.7384      0.00000
    119       0.8319      0.00000
    120       0.8891      0.00000
    121       1.0511      0.00000
    122       1.3015      0.00000
    123       1.5678      0.00000
    124       1.6657      0.00000
    125       1.7726      0.00000
    126       1.9528      0.00000
    127       2.0507      0.00000
    128       2.0905      0.00000
    129       2.1600      0.00000
    130       2.3053      0.00000
    131       2.3425      0.00000
    132       2.4881      0.00000
    133       2.5163      0.00000
    134       2.7206      0.00000
    135       2.7419      0.00000
    136       2.9586      0.00000
    137       2.9648      0.00000
    138       2.9942      0.00000
    139       3.0598      0.00000
    140       3.0935      0.00000
    141       3.1468      0.00000
    142       3.1625      0.00000
    143       3.1939      0.00000
    144       3.2598      0.00000
    145       3.4026      0.00000
    146       3.4218      0.00000
    147       3.4353      0.00000
    148       3.4561      0.00000
    149       3.5378      0.00000
    150       3.5931      0.00000
    151       3.6081      0.00000
    152       3.6446      0.00000
    153       3.6875      0.00000
    154       3.8299      0.00000
    155       3.9052      0.00000
    156       3.9365      0.00000
    157       4.0080      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0346      1.00000
      2     -21.6817      1.00000
      3     -21.6257      1.00000
      4     -21.1134      1.00000
      5     -21.0726      1.00000
      6     -20.5631      1.00000
      7     -20.5083      1.00000
      8     -20.3510      1.00000
      9     -19.8250      1.00000
     10     -19.7834      1.00000
     11     -19.4542      1.00000
     12     -19.4170      1.00000
     13     -18.7475      1.00000
     14     -18.7031      1.00000
     15     -18.3913      1.00000
     16     -18.3443      1.00000
     17     -18.1925      1.00000
     18     -17.4126      1.00000
     19     -17.3653      1.00000
     20     -17.3410      1.00000
     21     -17.3167      1.00000
     22     -16.8826      1.00000
     23     -16.8261      1.00000
     24     -16.7123      1.00000
     25     -15.7594      1.00000
     26     -15.6452      1.00000
     27     -15.3440      1.00000
     28     -15.3026      1.00000
     29     -15.0086      1.00000
     30     -14.6307      1.00000
     31     -14.5618      1.00000
     32     -14.3168      1.00000
     33     -14.2746      1.00000
     34     -13.9060      1.00000
     35     -13.8934      1.00000
     36     -12.9340      1.00000
     37     -12.8269      1.00000
     38     -12.7693      1.00000
     39     -12.7526      1.00000
     40     -12.4775      1.00000
     41     -12.4298      1.00000
     42     -12.0736      1.00000
     43     -12.0530      1.00000
     44     -11.3956      1.00000
     45     -11.3628      1.00000
     46     -11.3001      1.00000
     47     -10.6933      1.00000
     48     -10.6743      1.00000
     49     -10.4832      1.00000
     50     -10.3373      1.00000
     51     -10.3120      1.00000
     52     -10.2394      1.00000
     53     -10.2025      1.00000
     54     -10.1484      1.00000
     55     -10.0910      1.00000
     56      -9.8102      1.00000
     57      -9.6459      1.00000
     58      -9.3740      1.00000
     59      -9.2949      1.00000
     60      -9.2221      1.00000
     61      -9.1715      1.00000
     62      -9.1455      1.00000
     63      -9.1141      1.00000
     64      -9.0769      1.00000
     65      -9.0243      1.00000
     66      -8.9131      1.00000
     67      -8.8676      1.00000
     68      -8.8496      1.00000
     69      -8.6176      1.00000
     70      -8.6044      1.00000
     71      -8.4878      1.00000
     72      -8.3390      1.00000
     73      -8.2306      1.00000
     74      -7.9503      1.00000
     75      -7.9214      1.00000
     76      -7.7260      1.00000
     77      -7.6140      1.00000
     78      -7.5733      1.00000
     79      -7.5184      1.00000
     80      -7.4700      1.00000
     81      -7.4279      1.00000
     82      -7.2366      1.00000
     83      -7.1144      1.00000
     84      -6.7159      1.00000
     85      -6.6595      1.00000
     86      -6.5775      1.00000
     87      -6.3762      1.00000
     88      -6.1718      1.00000
     89      -6.1173      1.00000
     90      -6.0585      1.00000
     91      -5.9465      1.00000
     92      -5.8630      1.00000
     93      -5.5641      1.00000
     94      -5.3443      1.00000
     95      -5.1321      1.00000
     96      -4.9729      1.00000
     97      -4.8367      1.00000
     98      -4.5787      1.00000
     99      -4.4961      1.00000
    100      -4.1643      1.00000
    101      -4.0371      1.00000
    102      -3.9059      1.00000
    103      -3.6470      1.00000
    104      -3.5801      1.00000
    105      -3.2396      1.00000
    106      -2.2815      0.00000
    107      -1.8801      0.00000
    108      -1.0416      0.00000
    109      -0.9642      0.00000
    110      -0.9325      0.00000
    111      -0.6858      0.00000
    112      -0.6547      0.00000
    113      -0.5540      0.00000
    114      -0.5418      0.00000
    115       0.3410      0.00000
    116       0.4675      0.00000
    117       0.5190      0.00000
    118       0.8078      0.00000
    119       1.0736      0.00000
    120       1.1133      0.00000
    121       1.1706      0.00000
    122       1.3289      0.00000
    123       1.6029      0.00000
    124       1.6356      0.00000
    125       1.6956      0.00000
    126       1.8307      0.00000
    127       2.0183      0.00000
    128       2.0374      0.00000
    129       2.0517      0.00000
    130       2.2479      0.00000
    131       2.3093      0.00000
    132       2.3844      0.00000
    133       2.5121      0.00000
    134       2.5359      0.00000
    135       2.6807      0.00000
    136       2.7740      0.00000
    137       2.8106      0.00000
    138       2.8289      0.00000
    139       2.8692      0.00000
    140       3.0677      0.00000
    141       3.1016      0.00000
    142       3.1474      0.00000
    143       3.1660      0.00000
    144       3.2424      0.00000
    145       3.3033      0.00000
    146       3.4077      0.00000
    147       3.4627      0.00000
    148       3.5435      0.00000
    149       3.5746      0.00000
    150       3.7273      0.00000
    151       3.7542      0.00000
    152       3.8218      0.00000
    153       3.9387      0.00000
    154       3.9413      0.00000
    155       3.9734      0.00000
    156       3.9926      0.00000
    157       4.0779      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1085      1.00000
      2     -21.5505      1.00000
      3     -21.3638      1.00000
      4     -21.3393      1.00000
      5     -20.9975      1.00000
      6     -20.9664      1.00000
      7     -20.7873      1.00000
      8     -19.8942      1.00000
      9     -19.8604      1.00000
     10     -19.3501      1.00000
     11     -19.3203      1.00000
     12     -19.1448      1.00000
     13     -18.8351      1.00000
     14     -18.7948      1.00000
     15     -18.7740      1.00000
     16     -18.7634      1.00000
     17     -18.1040      1.00000
     18     -18.0805      1.00000
     19     -17.7471      1.00000
     20     -16.8045      1.00000
     21     -16.7599      1.00000
     22     -16.6950      1.00000
     23     -16.6762      1.00000
     24     -16.2318      1.00000
     25     -16.1977      1.00000
     26     -15.3491      1.00000
     27     -15.3272      1.00000
     28     -14.9747      1.00000
     29     -14.9634      1.00000
     30     -14.9435      1.00000
     31     -14.8517      1.00000
     32     -14.8048      1.00000
     33     -14.4441      1.00000
     34     -14.4226      1.00000
     35     -13.4789      1.00000
     36     -13.4505      1.00000
     37     -12.9833      1.00000
     38     -12.4147      1.00000
     39     -12.3182      1.00000
     40     -12.1956      1.00000
     41     -12.1825      1.00000
     42     -11.8494      1.00000
     43     -11.8312      1.00000
     44     -11.4601      1.00000
     45     -11.4146      1.00000
     46     -11.0565      1.00000
     47     -10.9652      1.00000
     48     -10.7665      1.00000
     49     -10.7428      1.00000
     50     -10.6677      1.00000
     51     -10.6260      1.00000
     52     -10.3351      1.00000
     53      -9.9818      1.00000
     54      -9.8914      1.00000
     55      -9.8338      1.00000
     56      -9.6632      1.00000
     57      -9.4389      1.00000
     58      -9.4344      1.00000
     59      -9.4014      1.00000
     60      -9.3733      1.00000
     61      -9.3051      1.00000
     62      -9.2625      1.00000
     63      -9.0778      1.00000
     64      -9.0399      1.00000
     65      -8.9926      1.00000
     66      -8.9800      1.00000
     67      -8.8686      1.00000
     68      -8.8622      1.00000
     69      -8.8475      1.00000
     70      -8.6821      1.00000
     71      -8.6140      1.00000
     72      -8.3408      1.00000
     73      -8.3368      1.00000
     74      -7.9132      1.00000
     75      -7.8087      1.00000
     76      -7.6509      1.00000
     77      -7.5653      1.00000
     78      -7.5352      1.00000
     79      -7.4891      1.00000
     80      -7.2346      1.00000
     81      -7.0604      1.00000
     82      -7.0396      1.00000
     83      -7.0028      1.00000
     84      -6.9628      1.00000
     85      -6.7493      1.00000
     86      -6.6430      1.00000
     87      -6.5137      1.00000
     88      -6.4546      1.00000
     89      -6.3724      1.00000
     90      -5.9475      1.00000
     91      -5.8685      1.00000
     92      -5.8416      1.00000
     93      -5.7133      1.00000
     94      -5.6734      1.00000
     95      -5.1345      1.00000
     96      -4.6964      1.00000
     97      -4.5890      1.00000
     98      -4.4279      1.00000
     99      -4.2402      1.00000
    100      -4.2199      1.00000
    101      -3.8956      1.00000
    102      -3.8579      1.00000
    103      -3.7661      1.00000
    104      -3.5144      1.00000
    105      -3.4689      1.00000
    106      -2.2813      0.00000
    107      -1.4959      0.00000
    108      -1.4384      0.00000
    109      -1.0845      0.00000
    110      -1.0575      0.00000
    111      -1.0459      0.00000
    112      -0.9536      0.00000
    113      -0.3394      0.00000
    114      -0.0066      0.00000
    115       0.0191      0.00000
    116       0.7433      0.00000
    117       0.8754      0.00000
    118       0.9175      0.00000
    119       1.1717      0.00000
    120       1.2930      0.00000
    121       1.3848      0.00000
    122       1.3887      0.00000
    123       1.4267      0.00000
    124       1.5381      0.00000
    125       1.6997      0.00000
    126       1.7554      0.00000
    127       1.9367      0.00000
    128       1.9671      0.00000
    129       2.1250      0.00000
    130       2.1366      0.00000
    131       2.3218      0.00000
    132       2.3313      0.00000
    133       2.3534      0.00000
    134       2.4308      0.00000
    135       2.5719      0.00000
    136       2.7325      0.00000
    137       2.7526      0.00000
    138       2.7691      0.00000
    139       2.8025      0.00000
    140       2.9218      0.00000
    141       2.9717      0.00000
    142       3.0697      0.00000
    143       3.1378      0.00000
    144       3.1721      0.00000
    145       3.2544      0.00000
    146       3.2744      0.00000
    147       3.4081      0.00000
    148       3.4402      0.00000
    149       3.5533      0.00000
    150       3.6346      0.00000
    151       3.6508      0.00000
    152       3.7675      0.00000
    153       3.9454      0.00000
    154       3.9538      0.00000
    155       4.0635      0.00000
    156       4.0825      0.00000
    157       4.1917      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9107      1.00000
      2     -21.8580      1.00000
      3     -21.6848      1.00000
      4     -21.1317      1.00000
      5     -20.7684      1.00000
      6     -20.7489      1.00000
      7     -20.2197      1.00000
      8     -20.1972      1.00000
      9     -20.0176      1.00000
     10     -20.0157      1.00000
     11     -19.6737      1.00000
     12     -19.6351      1.00000
     13     -18.6102      1.00000
     14     -18.5587      1.00000
     15     -18.0650      1.00000
     16     -18.0489      1.00000
     17     -17.8843      1.00000
     18     -17.8793      1.00000
     19     -17.5467      1.00000
     20     -17.5316      1.00000
     21     -17.0063      1.00000
     22     -16.9785      1.00000
     23     -16.8897      1.00000
     24     -16.8732      1.00000
     25     -15.8661      1.00000
     26     -15.6037      1.00000
     27     -15.5984      1.00000
     28     -15.5856      1.00000
     29     -14.9601      1.00000
     30     -14.2908      1.00000
     31     -14.2726      1.00000
     32     -14.0058      1.00000
     33     -13.7389      1.00000
     34     -13.7017      1.00000
     35     -13.5654      1.00000
     36     -13.5553      1.00000
     37     -13.3420      1.00000
     38     -13.3119      1.00000
     39     -13.1012      1.00000
     40     -12.3851      1.00000
     41     -11.9119      1.00000
     42     -11.8895      1.00000
     43     -11.7890      1.00000
     44     -11.7576      1.00000
     45     -11.4252      1.00000
     46     -11.4162      1.00000
     47     -10.9096      1.00000
     48     -10.8781      1.00000
     49     -10.5370      1.00000
     50     -10.4734      1.00000
     51     -10.2213      1.00000
     52      -9.9509      1.00000
     53      -9.9389      1.00000
     54      -9.9205      1.00000
     55      -9.7794      1.00000
     56      -9.7358      1.00000
     57      -9.7156      1.00000
     58      -9.5777      1.00000
     59      -9.5384      1.00000
     60      -9.5192      1.00000
     61      -9.5032      1.00000
     62      -9.2017      1.00000
     63      -9.1147      1.00000
     64      -8.8498      1.00000
     65      -8.8068      1.00000
     66      -8.7481      1.00000
     67      -8.7072      1.00000
     68      -8.5978      1.00000
     69      -8.4554      1.00000
     70      -8.4448      1.00000
     71      -8.3140      1.00000
     72      -8.2925      1.00000
     73      -8.2104      1.00000
     74      -8.2052      1.00000
     75      -8.0868      1.00000
     76      -8.0464      1.00000
     77      -7.8391      1.00000
     78      -7.8034      1.00000
     79      -7.7014      1.00000
     80      -7.4408      1.00000
     81      -7.3676      1.00000
     82      -7.2517      1.00000
     83      -6.8294      1.00000
     84      -6.7123      1.00000
     85      -6.6346      1.00000
     86      -6.3870      1.00000
     87      -6.3069      1.00000
     88      -6.2675      1.00000
     89      -6.2014      1.00000
     90      -6.1293      1.00000
     91      -5.7528      1.00000
     92      -5.5578      1.00000
     93      -5.5193      1.00000
     94      -5.3677      1.00000
     95      -5.1663      1.00000
     96      -4.9872      1.00000
     97      -4.9795      1.00000
     98      -4.9443      1.00000
     99      -4.5090      1.00000
    100      -4.1367      1.00000
    101      -4.0663      1.00000
    102      -3.9854      1.00000
    103      -3.6363      1.00000
    104      -3.5954      1.00000
    105      -3.0563      1.00000
    106      -2.2013      0.00000
    107      -2.1555      0.00000
    108      -0.9321      0.00000
    109      -0.9233      0.00000
    110      -0.9147      0.00000
    111      -0.9032      0.00000
    112      -0.2452      0.00000
    113      -0.2378      0.00000
    114      -0.0945      0.00000
    115      -0.0710      0.00000
    116       0.2301      0.00000
    117       0.2392      0.00000
    118       0.7177      0.00000
    119       0.8190      0.00000
    120       0.9479      0.00000
    121       1.0254      0.00000
    122       1.2811      0.00000
    123       1.5982      0.00000
    124       1.6412      0.00000
    125       1.7766      0.00000
    126       1.9589      0.00000
    127       2.0487      0.00000
    128       2.0794      0.00000
    129       2.1525      0.00000
    130       2.3124      0.00000
    131       2.3842      0.00000
    132       2.4881      0.00000
    133       2.5150      0.00000
    134       2.7144      0.00000
    135       2.8290      0.00000
    136       2.9223      0.00000
    137       2.9583      0.00000
    138       2.9925      0.00000
    139       3.0257      0.00000
    140       3.0923      0.00000
    141       3.1217      0.00000
    142       3.1811      0.00000
    143       3.1950      0.00000
    144       3.2785      0.00000
    145       3.3806      0.00000
    146       3.4115      0.00000
    147       3.4386      0.00000
    148       3.4753      0.00000
    149       3.5028      0.00000
    150       3.5962      0.00000
    151       3.6096      0.00000
    152       3.6392      0.00000
    153       3.6612      0.00000
    154       3.8295      0.00000
    155       3.9494      0.00000
    156       3.9514      0.00000
    157       4.0366      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9981      1.00000
      2     -21.8053      1.00000
      3     -21.4405      1.00000
      4     -21.4141      1.00000
      5     -20.7028      1.00000
      6     -20.6697      1.00000
      7     -20.3329      1.00000
      8     -20.3079      1.00000
      9     -20.3002      1.00000
     10     -19.7632      1.00000
     11     -19.2417      1.00000
     12     -19.2120      1.00000
     13     -19.0483      1.00000
     14     -19.0313      1.00000
     15     -18.1750      1.00000
     16     -18.1426      1.00000
     17     -17.6693      1.00000
     18     -17.6433      1.00000
     19     -17.4911      1.00000
     20     -17.4562      1.00000
     21     -17.1838      1.00000
     22     -17.1597      1.00000
     23     -17.0687      1.00000
     24     -16.2309      1.00000
     25     -16.1927      1.00000
     26     -15.7108      1.00000
     27     -15.1527      1.00000
     28     -15.1305      1.00000
     29     -14.8421      1.00000
     30     -14.8168      1.00000
     31     -14.5806      1.00000
     32     -14.5713      1.00000
     33     -14.0607      1.00000
     34     -13.9914      1.00000
     35     -13.2188      1.00000
     36     -13.1381      1.00000
     37     -12.9275      1.00000
     38     -12.9006      1.00000
     39     -12.7303      1.00000
     40     -12.7077      1.00000
     41     -12.3613      1.00000
     42     -12.3375      1.00000
     43     -11.9494      1.00000
     44     -11.3189      1.00000
     45     -11.2684      1.00000
     46     -11.0520      1.00000
     47     -11.0135      1.00000
     48     -10.9074      1.00000
     49     -10.5294      1.00000
     50     -10.4060      1.00000
     51     -10.2248      1.00000
     52     -10.0540      1.00000
     53     -10.0536      1.00000
     54      -9.9428      1.00000
     55      -9.8675      1.00000
     56      -9.8308      1.00000
     57      -9.5800      1.00000
     58      -9.4904      1.00000
     59      -9.4593      1.00000
     60      -9.4461      1.00000
     61      -9.4396      1.00000
     62      -9.3867      1.00000
     63      -9.1131      1.00000
     64      -9.0913      1.00000
     65      -9.0608      1.00000
     66      -8.7410      1.00000
     67      -8.7054      1.00000
     68      -8.6547      1.00000
     69      -8.5263      1.00000
     70      -8.3338      1.00000
     71      -8.2828      1.00000
     72      -8.1745      1.00000
     73      -8.1334      1.00000
     74      -8.0433      1.00000
     75      -8.0322      1.00000
     76      -7.9995      1.00000
     77      -7.9802      1.00000
     78      -7.9710      1.00000
     79      -7.5661      1.00000
     80      -7.3233      1.00000
     81      -7.0950      1.00000
     82      -7.0157      1.00000
     83      -6.9453      1.00000
     84      -6.8845      1.00000
     85      -6.7482      1.00000
     86      -6.6980      1.00000
     87      -6.3596      1.00000
     88      -6.3448      1.00000
     89      -6.2416      1.00000
     90      -6.0197      1.00000
     91      -5.6962      1.00000
     92      -5.6136      1.00000
     93      -5.4659      1.00000
     94      -5.3811      1.00000
     95      -5.0782      1.00000
     96      -5.0367      1.00000
     97      -4.9770      1.00000
     98      -4.9472      1.00000
     99      -4.2197      1.00000
    100      -4.2105      1.00000
    101      -4.0067      1.00000
    102      -3.8677      1.00000
    103      -3.6704      1.00000
    104      -3.5655      1.00000
    105      -3.4145      1.00000
    106      -2.2350      0.00000
    107      -1.5833      0.00000
    108      -1.5285      0.00000
    109      -0.8515      0.00000
    110      -0.7714      0.00000
    111      -0.7513      0.00000
    112      -0.4011      0.00000
    113      -0.3998      0.00000
    114      -0.3613      0.00000
    115      -0.3480      0.00000
    116       0.4146      0.00000
    117       0.4714      0.00000
    118       0.8147      0.00000
    119       1.1284      0.00000
    120       1.1438      0.00000
    121       1.3077      0.00000
    122       1.4905      0.00000
    123       1.5168      0.00000
    124       1.6858      0.00000
    125       1.7694      0.00000
    126       1.8205      0.00000
    127       1.8455      0.00000
    128       1.9859      0.00000
    129       2.0558      0.00000
    130       2.1352      0.00000
    131       2.2694      0.00000
    132       2.4758      0.00000
    133       2.4964      0.00000
    134       2.5855      0.00000
    135       2.6580      0.00000
    136       2.6959      0.00000
    137       2.7543      0.00000
    138       2.9019      0.00000
    139       2.9178      0.00000
    140       3.0246      0.00000
    141       3.1145      0.00000
    142       3.2170      0.00000
    143       3.2452      0.00000
    144       3.4090      0.00000
    145       3.4373      0.00000
    146       3.4523      0.00000
    147       3.5482      0.00000
    148       3.6106      0.00000
    149       3.6677      0.00000
    150       3.6976      0.00000
    151       3.7243      0.00000
    152       3.7772      0.00000
    153       3.8240      0.00000
    154       3.9120      0.00000
    155       3.9211      0.00000
    156       3.9787      0.00000
    157       3.9966      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.1457      1.00000
      2     -21.3041      1.00000
      3     -21.2029      1.00000
      4     -21.1903      1.00000
      5     -21.1895      1.00000
      6     -21.1697      1.00000
      7     -21.1690      1.00000
      8     -19.4486      1.00000
      9     -19.3688      1.00000
     10     -19.3662      1.00000
     11     -19.3567      1.00000
     12     -19.3370      1.00000
     13     -19.3344      1.00000
     14     -18.5431      1.00000
     15     -18.4805      1.00000
     16     -18.4762      1.00000
     17     -18.4488      1.00000
     18     -18.4469      1.00000
     19     -18.4364      1.00000
     20     -16.4107      1.00000
     21     -16.3270      1.00000
     22     -16.3207      1.00000
     23     -16.3142      1.00000
     24     -16.2996      1.00000
     25     -16.2974      1.00000
     26     -15.3828      1.00000
     27     -15.3363      1.00000
     28     -15.3033      1.00000
     29     -15.2994      1.00000
     30     -15.2956      1.00000
     31     -15.2827      1.00000
     32     -14.0337      1.00000
     33     -13.9969      1.00000
     34     -13.9715      1.00000
     35     -13.9675      1.00000
     36     -13.9546      1.00000
     37     -13.9434      1.00000
     38     -11.7560      1.00000
     39     -11.6414      1.00000
     40     -11.6027      1.00000
     41     -11.5925      1.00000
     42     -11.5902      1.00000
     43     -11.5865      1.00000
     44     -11.5024      1.00000
     45     -11.5021      1.00000
     46     -11.4823      1.00000
     47     -11.4627      1.00000
     48     -11.4578      1.00000
     49     -11.4566      1.00000
     50     -10.4106      1.00000
     51     -10.1524      1.00000
     52     -10.1324      1.00000
     53     -10.1118      1.00000
     54     -10.1088      1.00000
     55     -10.0923      1.00000
     56     -10.0643      1.00000
     57      -9.5589      1.00000
     58      -9.2109      1.00000
     59      -9.1663      1.00000
     60      -9.1260      1.00000
     61      -9.1067      1.00000
     62      -9.1052      1.00000
     63      -8.9301      1.00000
     64      -8.8544      1.00000
     65      -8.8522      1.00000
     66      -8.8405      1.00000
     67      -8.8327      1.00000
     68      -8.8073      1.00000
     69      -8.8046      1.00000
     70      -8.8018      1.00000
     71      -8.7983      1.00000
     72      -8.7814      1.00000
     73      -8.7603      1.00000
     74      -8.7571      1.00000
     75      -7.5291      1.00000
     76      -7.3233      1.00000
     77      -7.2635      1.00000
     78      -7.2287      1.00000
     79      -7.1795      1.00000
     80      -7.1744      1.00000
     81      -7.1508      1.00000
     82      -7.1492      1.00000
     83      -6.9973      1.00000
     84      -6.9908      1.00000
     85      -6.9892      1.00000
     86      -6.9789      1.00000
     87      -6.4128      1.00000
     88      -6.3775      1.00000
     89      -6.1647      1.00000
     90      -6.1322      1.00000
     91      -6.0989      1.00000
     92      -6.0966      1.00000
     93      -5.7248      1.00000
     94      -5.6801      1.00000
     95      -5.0830      1.00000
     96      -4.7015      1.00000
     97      -4.3191      1.00000
     98      -4.2637      1.00000
     99      -4.1388      1.00000
    100      -4.1337      1.00000
    101      -4.0543      1.00000
    102      -3.9299      1.00000
    103      -3.5985      1.00000
    104      -3.5091      1.00000
    105      -3.4918      1.00000
    106      -2.3382      0.00000
    107      -1.3506      0.00000
    108      -1.3280      0.00000
    109      -1.3211      0.00000
    110      -1.3195      0.00000
    111      -1.2434      0.00000
    112      -1.2014      0.00000
    113       0.3376      0.00000
    114       0.4244      0.00000
    115       0.4727      0.00000
    116       0.5035      0.00000
    117       0.5214      0.00000
    118       0.5215      0.00000
    119       0.7505      0.00000
    120       1.3461      0.00000
    121       1.3778      0.00000
    122       1.3866      0.00000
    123       1.6583      0.00000
    124       1.8784      0.00000
    125       1.8901      0.00000
    126       1.9026      0.00000
    127       2.0774      0.00000
    128       2.1175      0.00000
    129       2.2214      0.00000
    130       2.2255      0.00000
    131       2.2316      0.00000
    132       2.2386      0.00000
    133       2.2595      0.00000
    134       2.3743      0.00000
    135       2.4508      0.00000
    136       2.4942      0.00000
    137       2.6205      0.00000
    138       2.6432      0.00000
    139       2.6788      0.00000
    140       2.8383      0.00000
    141       2.9205      0.00000
    142       2.9233      0.00000
    143       3.0063      0.00000
    144       3.0102      0.00000
    145       3.0331      0.00000
    146       3.0434      0.00000
    147       3.4324      0.00000
    148       3.4703      0.00000
    149       3.5980      0.00000
    150       3.8840      0.00000
    151       3.9067      0.00000
    152       3.9278      0.00000
    153       3.9367      0.00000
    154       3.9747      0.00000
    155       4.0290      0.00000
    156       4.0679      0.00000
    157       4.2188      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.1086      1.00000
      2     -21.5486      1.00000
      3     -21.3689      1.00000
      4     -21.3365      1.00000
      5     -20.9985      1.00000
      6     -20.9631      1.00000
      7     -20.7894      1.00000
      8     -19.8965      1.00000
      9     -19.8581      1.00000
     10     -19.3483      1.00000
     11     -19.3170      1.00000
     12     -19.1514      1.00000
     13     -18.8274      1.00000
     14     -18.7912      1.00000
     15     -18.7794      1.00000
     16     -18.7664      1.00000
     17     -18.1030      1.00000
     18     -18.0766      1.00000
     19     -17.7561      1.00000
     20     -16.8171      1.00000
     21     -16.7613      1.00000
     22     -16.6908      1.00000
     23     -16.6716      1.00000
     24     -16.2147      1.00000
     25     -16.1903      1.00000
     26     -15.3655      1.00000
     27     -15.3327      1.00000
     28     -15.0121      1.00000
     29     -14.9698      1.00000
     30     -14.9107      1.00000
     31     -14.8327      1.00000
     32     -14.8038      1.00000
     33     -14.4450      1.00000
     34     -14.4262      1.00000
     35     -13.4822      1.00000
     36     -13.4565      1.00000
     37     -12.9782      1.00000
     38     -12.3746      1.00000
     39     -12.3205      1.00000
     40     -12.1952      1.00000
     41     -12.1765      1.00000
     42     -11.8849      1.00000
     43     -11.8456      1.00000
     44     -11.4746      1.00000
     45     -11.4187      1.00000
     46     -11.0085      1.00000
     47     -10.9665      1.00000
     48     -10.7818      1.00000
     49     -10.7452      1.00000
     50     -10.6837      1.00000
     51     -10.6384      1.00000
     52     -10.3069      1.00000
     53      -9.9015      1.00000
     54      -9.8996      1.00000
     55      -9.8532      1.00000
     56      -9.6923      1.00000
     57      -9.4791      1.00000
     58      -9.4441      1.00000
     59      -9.3840      1.00000
     60      -9.3565      1.00000
     61      -9.3178      1.00000
     62      -9.2679      1.00000
     63      -9.0632      1.00000
     64      -9.0477      1.00000
     65      -9.0032      1.00000
     66      -8.9529      1.00000
     67      -8.8880      1.00000
     68      -8.8535      1.00000
     69      -8.8417      1.00000
     70      -8.6826      1.00000
     71      -8.6164      1.00000
     72      -8.3737      1.00000
     73      -8.3414      1.00000
     74      -7.8590      1.00000
     75      -7.8171      1.00000
     76      -7.6407      1.00000
     77      -7.6052      1.00000
     78      -7.5056      1.00000
     79      -7.4980      1.00000
     80      -7.1534      1.00000
     81      -7.1322      1.00000
     82      -7.0961      1.00000
     83      -7.0531      1.00000
     84      -6.8607      1.00000
     85      -6.7692      1.00000
     86      -6.6327      1.00000
     87      -6.5397      1.00000
     88      -6.4282      1.00000
     89      -6.3704      1.00000
     90      -5.9181      1.00000
     91      -5.8936      1.00000
     92      -5.8747      1.00000
     93      -5.7571      1.00000
     94      -5.5451      1.00000
     95      -5.1408      1.00000
     96      -4.8151      1.00000
     97      -4.5259      1.00000
     98      -4.4358      1.00000
     99      -4.2580      1.00000
    100      -4.1746      1.00000
    101      -4.0552      1.00000
    102      -3.8907      1.00000
    103      -3.5669      1.00000
    104      -3.4929      1.00000
    105      -3.4643      1.00000
    106      -2.3538      0.00000
    107      -1.4936      0.00000
    108      -1.4288      0.00000
    109      -1.0685      0.00000
    110      -1.0504      0.00000
    111      -1.0201      0.00000
    112      -0.9870      0.00000
    113      -0.3654      0.00000
    114       0.0092      0.00000
    115       0.0373      0.00000
    116       0.7631      0.00000
    117       0.8559      0.00000
    118       0.9473      0.00000
    119       1.1028      0.00000
    120       1.2887      0.00000
    121       1.3435      0.00000
    122       1.4354      0.00000
    123       1.4678      0.00000
    124       1.5359      0.00000
    125       1.6982      0.00000
    126       1.7589      0.00000
    127       1.9512      0.00000
    128       1.9627      0.00000
    129       2.0795      0.00000
    130       2.1547      0.00000
    131       2.3187      0.00000
    132       2.3219      0.00000
    133       2.3462      0.00000
    134       2.4358      0.00000
    135       2.5652      0.00000
    136       2.7286      0.00000
    137       2.7574      0.00000
    138       2.7698      0.00000
    139       2.8235      0.00000
    140       2.9575      0.00000
    141       2.9750      0.00000
    142       3.0550      0.00000
    143       3.1051      0.00000
    144       3.1286      0.00000
    145       3.2666      0.00000
    146       3.2827      0.00000
    147       3.4243      0.00000
    148       3.4750      0.00000
    149       3.5458      0.00000
    150       3.6209      0.00000
    151       3.6552      0.00000
    152       3.7772      0.00000
    153       3.9323      0.00000
    154       3.9953      0.00000
    155       4.0634      0.00000
    156       4.0727      0.00000
    157       4.1291      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9993      1.00000
      2     -21.8028      1.00000
      3     -21.4447      1.00000
      4     -21.4111      1.00000
      5     -20.7052      1.00000
      6     -20.6669      1.00000
      7     -20.3434      1.00000
      8     -20.3048      1.00000
      9     -20.2939      1.00000
     10     -19.7638      1.00000
     11     -19.2443      1.00000
     12     -19.2098      1.00000
     13     -19.0462      1.00000
     14     -19.0254      1.00000
     15     -18.1849      1.00000
     16     -18.1416      1.00000
     17     -17.6706      1.00000
     18     -17.6385      1.00000
     19     -17.4966      1.00000
     20     -17.4574      1.00000
     21     -17.1820      1.00000
     22     -17.1568      1.00000
     23     -17.0811      1.00000
     24     -16.2097      1.00000
     25     -16.1872      1.00000
     26     -15.6927      1.00000
     27     -15.1653      1.00000
     28     -15.1355      1.00000
     29     -14.8475      1.00000
     30     -14.8211      1.00000
     31     -14.6153      1.00000
     32     -14.5801      1.00000
     33     -14.0299      1.00000
     34     -13.9923      1.00000
     35     -13.1876      1.00000
     36     -13.1401      1.00000
     37     -12.9373      1.00000
     38     -12.9081      1.00000
     39     -12.7134      1.00000
     40     -12.6982      1.00000
     41     -12.3771      1.00000
     42     -12.3467      1.00000
     43     -11.9460      1.00000
     44     -11.3423      1.00000
     45     -11.2752      1.00000
     46     -11.0733      1.00000
     47     -11.0222      1.00000
     48     -10.8958      1.00000
     49     -10.4564      1.00000
     50     -10.4059      1.00000
     51     -10.2281      1.00000
     52     -10.0616      1.00000
     53     -10.0525      1.00000
     54      -9.9344      1.00000
     55      -9.8584      1.00000
     56      -9.8496      1.00000
     57      -9.5565      1.00000
     58      -9.5186      1.00000
     59      -9.4709      1.00000
     60      -9.4413      1.00000
     61      -9.4240      1.00000
     62      -9.3883      1.00000
     63      -9.1087      1.00000
     64      -9.0935      1.00000
     65      -9.0598      1.00000
     66      -8.7971      1.00000
     67      -8.7061      1.00000
     68      -8.6199      1.00000
     69      -8.5470      1.00000
     70      -8.3531      1.00000
     71      -8.2725      1.00000
     72      -8.1421      1.00000
     73      -8.1270      1.00000
     74      -8.0840      1.00000
     75      -8.0252      1.00000
     76      -8.0046      1.00000
     77      -7.9970      1.00000
     78      -7.9740      1.00000
     79      -7.5426      1.00000
     80      -7.1472      1.00000
     81      -7.1102      1.00000
     82      -7.0941      1.00000
     83      -7.0006      1.00000
     84      -6.9660      1.00000
     85      -6.7326      1.00000
     86      -6.7259      1.00000
     87      -6.3813      1.00000
     88      -6.3148      1.00000
     89      -6.0550      1.00000
     90      -5.9942      1.00000
     91      -5.8155      1.00000
     92      -5.5981      1.00000
     93      -5.4690      1.00000
     94      -5.2969      1.00000
     95      -5.1349      1.00000
     96      -5.0660      1.00000
     97      -4.9715      1.00000
     98      -4.9690      1.00000
     99      -4.3837      1.00000
    100      -4.1411      1.00000
    101      -4.0911      1.00000
    102      -3.8393      1.00000
    103      -3.6089      1.00000
    104      -3.4150      1.00000
    105      -3.3902      1.00000
    106      -2.3683      0.00000
    107      -1.5889      0.00000
    108      -1.4942      0.00000
    109      -0.8812      0.00000
    110      -0.7589      0.00000
    111      -0.7420      0.00000
    112      -0.3968      0.00000
    113      -0.3781      0.00000
    114      -0.3632      0.00000
    115      -0.3469      0.00000
    116       0.4078      0.00000
    117       0.4743      0.00000
    118       0.8217      0.00000
    119       1.1173      0.00000
    120       1.1431      0.00000
    121       1.3767      0.00000
    122       1.4879      0.00000
    123       1.5181      0.00000
    124       1.6655      0.00000
    125       1.7835      0.00000
    126       1.8103      0.00000
    127       1.8390      0.00000
    128       1.9374      0.00000
    129       2.1114      0.00000
    130       2.1288      0.00000
    131       2.1799      0.00000
    132       2.4481      0.00000
    133       2.4898      0.00000
    134       2.6006      0.00000
    135       2.6592      0.00000
    136       2.7009      0.00000
    137       2.7511      0.00000
    138       2.8968      0.00000
    139       2.9529      0.00000
    140       3.0285      0.00000
    141       3.1231      0.00000
    142       3.2286      0.00000
    143       3.2439      0.00000
    144       3.4329      0.00000
    145       3.4417      0.00000
    146       3.4600      0.00000
    147       3.5174      0.00000
    148       3.5936      0.00000
    149       3.6710      0.00000
    150       3.6890      0.00000
    151       3.7222      0.00000
    152       3.7850      0.00000
    153       3.8444      0.00000
    154       3.9135      0.00000
    155       3.9332      0.00000
    156       3.9887      0.00000
    157       4.0908      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0351      1.00000
      2     -21.6745      1.00000
      3     -21.6328      1.00000
      4     -21.1031      1.00000
      5     -21.0829      1.00000
      6     -20.5567      1.00000
      7     -20.5153      1.00000
      8     -20.3523      1.00000
      9     -19.8028      1.00000
     10     -19.8021      1.00000
     11     -19.4469      1.00000
     12     -19.4271      1.00000
     13     -18.7248      1.00000
     14     -18.7232      1.00000
     15     -18.3717      1.00000
     16     -18.3605      1.00000
     17     -18.1936      1.00000
     18     -17.4242      1.00000
     19     -17.3630      1.00000
     20     -17.3476      1.00000
     21     -17.3258      1.00000
     22     -16.8563      1.00000
     23     -16.8423      1.00000
     24     -16.6941      1.00000
     25     -15.7300      1.00000
     26     -15.6791      1.00000
     27     -15.3220      1.00000
     28     -15.3082      1.00000
     29     -15.0459      1.00000
     30     -14.5984      1.00000
     31     -14.5660      1.00000
     32     -14.3208      1.00000
     33     -14.2846      1.00000
     34     -13.9065      1.00000
     35     -13.9042      1.00000
     36     -12.8812      1.00000
     37     -12.8238      1.00000
     38     -12.7877      1.00000
     39     -12.7648      1.00000
     40     -12.4539      1.00000
     41     -12.4507      1.00000
     42     -12.0684      1.00000
     43     -12.0512      1.00000
     44     -11.4253      1.00000
     45     -11.3785      1.00000
     46     -11.3115      1.00000
     47     -10.7155      1.00000
     48     -10.6633      1.00000
     49     -10.4026      1.00000
     50     -10.3764      1.00000
     51     -10.2485      1.00000
     52     -10.2423      1.00000
     53     -10.1873      1.00000
     54     -10.1817      1.00000
     55     -10.0926      1.00000
     56      -9.8140      1.00000
     57      -9.6508      1.00000
     58      -9.3565      1.00000
     59      -9.2982      1.00000
     60      -9.2616      1.00000
     61      -9.1532      1.00000
     62      -9.1363      1.00000
     63      -9.1153      1.00000
     64      -9.0732      1.00000
     65      -9.0381      1.00000
     66      -8.9358      1.00000
     67      -8.9010      1.00000
     68      -8.8538      1.00000
     69      -8.6111      1.00000
     70      -8.5995      1.00000
     71      -8.4761      1.00000
     72      -8.3504      1.00000
     73      -8.1969      1.00000
     74      -7.9593      1.00000
     75      -7.9191      1.00000
     76      -7.6807      1.00000
     77      -7.6094      1.00000
     78      -7.5721      1.00000
     79      -7.5718      1.00000
     80      -7.4603      1.00000
     81      -7.4476      1.00000
     82      -7.2069      1.00000
     83      -7.1468      1.00000
     84      -6.6845      1.00000
     85      -6.6576      1.00000
     86      -6.5634      1.00000
     87      -6.4277      1.00000
     88      -6.1898      1.00000
     89      -6.1182      1.00000
     90      -6.0612      1.00000
     91      -5.9692      1.00000
     92      -5.7995      1.00000
     93      -5.4215      1.00000
     94      -5.2404      1.00000
     95      -5.2046      1.00000
     96      -5.1156      1.00000
     97      -4.9720      1.00000
     98      -4.5203      1.00000
     99      -4.4621      1.00000
    100      -4.1330      1.00000
    101      -4.0939      1.00000
    102      -3.9730      1.00000
    103      -3.5988      1.00000
    104      -3.5453      1.00000
    105      -3.1024      1.00000
    106      -2.4586      0.00000
    107      -1.8281      0.00000
    108      -1.0212      0.00000
    109      -0.9644      0.00000
    110      -0.9326      0.00000
    111      -0.6837      0.00000
    112      -0.6803      0.00000
    113      -0.5471      0.00000
    114      -0.5464      0.00000
    115       0.4286      0.00000
    116       0.4377      0.00000
    117       0.5293      0.00000
    118       0.7931      0.00000
    119       1.0117      0.00000
    120       1.0879      0.00000
    121       1.2477      0.00000
    122       1.2824      0.00000
    123       1.6070      0.00000
    124       1.6562      0.00000
    125       1.6984      0.00000
    126       1.8277      0.00000
    127       2.0214      0.00000
    128       2.0380      0.00000
    129       2.0561      0.00000
    130       2.2410      0.00000
    131       2.2723      0.00000
    132       2.3744      0.00000
    133       2.5190      0.00000
    134       2.5677      0.00000
    135       2.6769      0.00000
    136       2.7612      0.00000
    137       2.8023      0.00000
    138       2.8476      0.00000
    139       2.8548      0.00000
    140       3.0962      0.00000
    141       3.1072      0.00000
    142       3.1519      0.00000
    143       3.1593      0.00000
    144       3.2352      0.00000
    145       3.2979      0.00000
    146       3.3981      0.00000
    147       3.4398      0.00000
    148       3.5556      0.00000
    149       3.5933      0.00000
    150       3.7127      0.00000
    151       3.7531      0.00000
    152       3.8355      0.00000
    153       3.9239      0.00000
    154       3.9462      0.00000
    155       3.9724      0.00000
    156       3.9903      0.00000
    157       4.0996      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9155      1.00000
      2     -21.8512      1.00000
      3     -21.6868      1.00000
      4     -21.1310      1.00000
      5     -20.7794      1.00000
      6     -20.7383      1.00000
      7     -20.2309      1.00000
      8     -20.1854      1.00000
      9     -20.0328      1.00000
     10     -20.0014      1.00000
     11     -19.6811      1.00000
     12     -19.6274      1.00000
     13     -18.6102      1.00000
     14     -18.5503      1.00000
     15     -18.0966      1.00000
     16     -18.0308      1.00000
     17     -17.8948      1.00000
     18     -17.8639      1.00000
     19     -17.5679      1.00000
     20     -17.5165      1.00000
     21     -17.0023      1.00000
     22     -16.9688      1.00000
     23     -16.9091      1.00000
     24     -16.8669      1.00000
     25     -15.8322      1.00000
     26     -15.6354      1.00000
     27     -15.5971      1.00000
     28     -15.5651      1.00000
     29     -14.9868      1.00000
     30     -14.3073      1.00000
     31     -14.2595      1.00000
     32     -14.0310      1.00000
     33     -13.7057      1.00000
     34     -13.6940      1.00000
     35     -13.5690      1.00000
     36     -13.5404      1.00000
     37     -13.3656      1.00000
     38     -13.3046      1.00000
     39     -13.0960      1.00000
     40     -12.3595      1.00000
     41     -11.9565      1.00000
     42     -11.8720      1.00000
     43     -11.8146      1.00000
     44     -11.7585      1.00000
     45     -11.4328      1.00000
     46     -11.3966      1.00000
     47     -10.9132      1.00000
     48     -10.8583      1.00000
     49     -10.5582      1.00000
     50     -10.4743      1.00000
     51     -10.1867      1.00000
     52      -9.9652      1.00000
     53      -9.9434      1.00000
     54      -9.9036      1.00000
     55      -9.7630      1.00000
     56      -9.7605      1.00000
     57      -9.7155      1.00000
     58      -9.5645      1.00000
     59      -9.5385      1.00000
     60      -9.5151      1.00000
     61      -9.5006      1.00000
     62      -9.2080      1.00000
     63      -9.1139      1.00000
     64      -8.8609      1.00000
     65      -8.8160      1.00000
     66      -8.7786      1.00000
     67      -8.6704      1.00000
     68      -8.6097      1.00000
     69      -8.4737      1.00000
     70      -8.4401      1.00000
     71      -8.3334      1.00000
     72      -8.2840      1.00000
     73      -8.2350      1.00000
     74      -8.2035      1.00000
     75      -8.1170      1.00000
     76      -7.9759      1.00000
     77      -7.8427      1.00000
     78      -7.7704      1.00000
     79      -7.6547      1.00000
     80      -7.5133      1.00000
     81      -7.3638      1.00000
     82      -7.2806      1.00000
     83      -6.7769      1.00000
     84      -6.6832      1.00000
     85      -6.6277      1.00000
     86      -6.5493      1.00000
     87      -6.3232      1.00000
     88      -6.2383      1.00000
     89      -6.1693      1.00000
     90      -5.9977      1.00000
     91      -5.7459      1.00000
     92      -5.5789      1.00000
     93      -5.5397      1.00000
     94      -5.3482      1.00000
     95      -5.1848      1.00000
     96      -5.0072      1.00000
     97      -4.9755      1.00000
     98      -4.9684      1.00000
     99      -4.5567      1.00000
    100      -4.1346      1.00000
    101      -4.0863      1.00000
    102      -3.9649      1.00000
    103      -3.6203      1.00000
    104      -3.5737      1.00000
    105      -2.9296      1.00000
    106      -2.4581      0.00000
    107      -2.0187      0.00000
    108      -0.9635      0.00000
    109      -0.9325      0.00000
    110      -0.9072      0.00000
    111      -0.8804      0.00000
    112      -0.2463      0.00000
    113      -0.2307      0.00000
    114      -0.0733      0.00000
    115      -0.0630      0.00000
    116       0.1939      0.00000
    117       0.2592      0.00000
    118       0.7384      0.00000
    119       0.8319      0.00000
    120       0.8891      0.00000
    121       1.0511      0.00000
    122       1.3015      0.00000
    123       1.5677      0.00000
    124       1.6657      0.00000
    125       1.7726      0.00000
    126       1.9528      0.00000
    127       2.0506      0.00000
    128       2.0905      0.00000
    129       2.1600      0.00000
    130       2.3052      0.00000
    131       2.3425      0.00000
    132       2.4881      0.00000
    133       2.5163      0.00000
    134       2.7205      0.00000
    135       2.7419      0.00000
    136       2.9586      0.00000
    137       2.9648      0.00000
    138       2.9942      0.00000
    139       3.0597      0.00000
    140       3.0934      0.00000
    141       3.1468      0.00000
    142       3.1625      0.00000
    143       3.1939      0.00000
    144       3.2598      0.00000
    145       3.4026      0.00000
    146       3.4218      0.00000
    147       3.4353      0.00000
    148       3.4560      0.00000
    149       3.5378      0.00000
    150       3.5931      0.00000
    151       3.6080      0.00000
    152       3.6445      0.00000
    153       3.6875      0.00000
    154       3.8298      0.00000
    155       3.9052      0.00000
    156       3.9364      0.00000
    157       4.0080      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0346      1.00000
      2     -21.6817      1.00000
      3     -21.6257      1.00000
      4     -21.1134      1.00000
      5     -21.0726      1.00000
      6     -20.5631      1.00000
      7     -20.5083      1.00000
      8     -20.3510      1.00000
      9     -19.8250      1.00000
     10     -19.7834      1.00000
     11     -19.4542      1.00000
     12     -19.4170      1.00000
     13     -18.7475      1.00000
     14     -18.7031      1.00000
     15     -18.3913      1.00000
     16     -18.3443      1.00000
     17     -18.1925      1.00000
     18     -17.4126      1.00000
     19     -17.3653      1.00000
     20     -17.3410      1.00000
     21     -17.3167      1.00000
     22     -16.8826      1.00000
     23     -16.8261      1.00000
     24     -16.7123      1.00000
     25     -15.7594      1.00000
     26     -15.6452      1.00000
     27     -15.3440      1.00000
     28     -15.3026      1.00000
     29     -15.0086      1.00000
     30     -14.6307      1.00000
     31     -14.5618      1.00000
     32     -14.3168      1.00000
     33     -14.2746      1.00000
     34     -13.9060      1.00000
     35     -13.8934      1.00000
     36     -12.9340      1.00000
     37     -12.8269      1.00000
     38     -12.7693      1.00000
     39     -12.7526      1.00000
     40     -12.4775      1.00000
     41     -12.4298      1.00000
     42     -12.0736      1.00000
     43     -12.0530      1.00000
     44     -11.3956      1.00000
     45     -11.3628      1.00000
     46     -11.3001      1.00000
     47     -10.6933      1.00000
     48     -10.6743      1.00000
     49     -10.4832      1.00000
     50     -10.3373      1.00000
     51     -10.3120      1.00000
     52     -10.2394      1.00000
     53     -10.2025      1.00000
     54     -10.1484      1.00000
     55     -10.0910      1.00000
     56      -9.8102      1.00000
     57      -9.6459      1.00000
     58      -9.3740      1.00000
     59      -9.2949      1.00000
     60      -9.2221      1.00000
     61      -9.1715      1.00000
     62      -9.1455      1.00000
     63      -9.1141      1.00000
     64      -9.0769      1.00000
     65      -9.0243      1.00000
     66      -8.9131      1.00000
     67      -8.8676      1.00000
     68      -8.8496      1.00000
     69      -8.6176      1.00000
     70      -8.6044      1.00000
     71      -8.4878      1.00000
     72      -8.3390      1.00000
     73      -8.2306      1.00000
     74      -7.9503      1.00000
     75      -7.9214      1.00000
     76      -7.7260      1.00000
     77      -7.6140      1.00000
     78      -7.5733      1.00000
     79      -7.5184      1.00000
     80      -7.4700      1.00000
     81      -7.4279      1.00000
     82      -7.2366      1.00000
     83      -7.1144      1.00000
     84      -6.7159      1.00000
     85      -6.6595      1.00000
     86      -6.5775      1.00000
     87      -6.3762      1.00000
     88      -6.1718      1.00000
     89      -6.1173      1.00000
     90      -6.0585      1.00000
     91      -5.9465      1.00000
     92      -5.8630      1.00000
     93      -5.5641      1.00000
     94      -5.3443      1.00000
     95      -5.1321      1.00000
     96      -4.9729      1.00000
     97      -4.8367      1.00000
     98      -4.5787      1.00000
     99      -4.4961      1.00000
    100      -4.1643      1.00000
    101      -4.0371      1.00000
    102      -3.9059      1.00000
    103      -3.6470      1.00000
    104      -3.5801      1.00000
    105      -3.2396      1.00000
    106      -2.2815      0.00000
    107      -1.8801      0.00000
    108      -1.0416      0.00000
    109      -0.9642      0.00000
    110      -0.9325      0.00000
    111      -0.6858      0.00000
    112      -0.6547      0.00000
    113      -0.5540      0.00000
    114      -0.5418      0.00000
    115       0.3410      0.00000
    116       0.4675      0.00000
    117       0.5190      0.00000
    118       0.8078      0.00000
    119       1.0736      0.00000
    120       1.1133      0.00000
    121       1.1706      0.00000
    122       1.3289      0.00000
    123       1.6029      0.00000
    124       1.6356      0.00000
    125       1.6956      0.00000
    126       1.8306      0.00000
    127       2.0183      0.00000
    128       2.0374      0.00000
    129       2.0517      0.00000
    130       2.2478      0.00000
    131       2.3092      0.00000
    132       2.3843      0.00000
    133       2.5121      0.00000
    134       2.5359      0.00000
    135       2.6807      0.00000
    136       2.7740      0.00000
    137       2.8106      0.00000
    138       2.8289      0.00000
    139       2.8692      0.00000
    140       3.0676      0.00000
    141       3.1016      0.00000
    142       3.1474      0.00000
    143       3.1659      0.00000
    144       3.2423      0.00000
    145       3.3033      0.00000
    146       3.4077      0.00000
    147       3.4627      0.00000
    148       3.5435      0.00000
    149       3.5745      0.00000
    150       3.7272      0.00000
    151       3.7541      0.00000
    152       3.8218      0.00000
    153       3.9386      0.00000
    154       3.9412      0.00000
    155       3.9734      0.00000
    156       3.9925      0.00000
    157       4.0779      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1085      1.00000
      2     -21.5505      1.00000
      3     -21.3638      1.00000
      4     -21.3393      1.00000
      5     -20.9975      1.00000
      6     -20.9664      1.00000
      7     -20.7873      1.00000
      8     -19.8942      1.00000
      9     -19.8604      1.00000
     10     -19.3501      1.00000
     11     -19.3203      1.00000
     12     -19.1448      1.00000
     13     -18.8351      1.00000
     14     -18.7948      1.00000
     15     -18.7740      1.00000
     16     -18.7634      1.00000
     17     -18.1040      1.00000
     18     -18.0805      1.00000
     19     -17.7471      1.00000
     20     -16.8045      1.00000
     21     -16.7599      1.00000
     22     -16.6950      1.00000
     23     -16.6762      1.00000
     24     -16.2318      1.00000
     25     -16.1977      1.00000
     26     -15.3491      1.00000
     27     -15.3272      1.00000
     28     -14.9747      1.00000
     29     -14.9634      1.00000
     30     -14.9435      1.00000
     31     -14.8517      1.00000
     32     -14.8048      1.00000
     33     -14.4441      1.00000
     34     -14.4226      1.00000
     35     -13.4789      1.00000
     36     -13.4505      1.00000
     37     -12.9833      1.00000
     38     -12.4147      1.00000
     39     -12.3182      1.00000
     40     -12.1956      1.00000
     41     -12.1825      1.00000
     42     -11.8494      1.00000
     43     -11.8312      1.00000
     44     -11.4601      1.00000
     45     -11.4146      1.00000
     46     -11.0565      1.00000
     47     -10.9652      1.00000
     48     -10.7665      1.00000
     49     -10.7428      1.00000
     50     -10.6677      1.00000
     51     -10.6260      1.00000
     52     -10.3351      1.00000
     53      -9.9818      1.00000
     54      -9.8914      1.00000
     55      -9.8338      1.00000
     56      -9.6632      1.00000
     57      -9.4389      1.00000
     58      -9.4344      1.00000
     59      -9.4014      1.00000
     60      -9.3733      1.00000
     61      -9.3051      1.00000
     62      -9.2625      1.00000
     63      -9.0778      1.00000
     64      -9.0399      1.00000
     65      -8.9926      1.00000
     66      -8.9800      1.00000
     67      -8.8686      1.00000
     68      -8.8622      1.00000
     69      -8.8475      1.00000
     70      -8.6821      1.00000
     71      -8.6140      1.00000
     72      -8.3408      1.00000
     73      -8.3368      1.00000
     74      -7.9132      1.00000
     75      -7.8087      1.00000
     76      -7.6509      1.00000
     77      -7.5653      1.00000
     78      -7.5352      1.00000
     79      -7.4891      1.00000
     80      -7.2346      1.00000
     81      -7.0604      1.00000
     82      -7.0396      1.00000
     83      -7.0028      1.00000
     84      -6.9628      1.00000
     85      -6.7493      1.00000
     86      -6.6430      1.00000
     87      -6.5137      1.00000
     88      -6.4546      1.00000
     89      -6.3724      1.00000
     90      -5.9475      1.00000
     91      -5.8685      1.00000
     92      -5.8416      1.00000
     93      -5.7133      1.00000
     94      -5.6734      1.00000
     95      -5.1345      1.00000
     96      -4.6964      1.00000
     97      -4.5890      1.00000
     98      -4.4279      1.00000
     99      -4.2402      1.00000
    100      -4.2199      1.00000
    101      -3.8956      1.00000
    102      -3.8579      1.00000
    103      -3.7661      1.00000
    104      -3.5144      1.00000
    105      -3.4689      1.00000
    106      -2.2813      0.00000
    107      -1.4959      0.00000
    108      -1.4384      0.00000
    109      -1.0845      0.00000
    110      -1.0575      0.00000
    111      -1.0459      0.00000
    112      -0.9536      0.00000
    113      -0.3394      0.00000
    114      -0.0066      0.00000
    115       0.0191      0.00000
    116       0.7433      0.00000
    117       0.8754      0.00000
    118       0.9175      0.00000
    119       1.1717      0.00000
    120       1.2930      0.00000
    121       1.3848      0.00000
    122       1.3887      0.00000
    123       1.4267      0.00000
    124       1.5381      0.00000
    125       1.6996      0.00000
    126       1.7554      0.00000
    127       1.9367      0.00000
    128       1.9671      0.00000
    129       2.1250      0.00000
    130       2.1366      0.00000
    131       2.3218      0.00000
    132       2.3313      0.00000
    133       2.3534      0.00000
    134       2.4308      0.00000
    135       2.5719      0.00000
    136       2.7325      0.00000
    137       2.7526      0.00000
    138       2.7690      0.00000
    139       2.8025      0.00000
    140       2.9218      0.00000
    141       2.9717      0.00000
    142       3.0697      0.00000
    143       3.1377      0.00000
    144       3.1720      0.00000
    145       3.2543      0.00000
    146       3.2743      0.00000
    147       3.4080      0.00000
    148       3.4402      0.00000
    149       3.5532      0.00000
    150       3.6346      0.00000
    151       3.6508      0.00000
    152       3.7675      0.00000
    153       3.9454      0.00000
    154       3.9538      0.00000
    155       4.0634      0.00000
    156       4.0824      0.00000
    157       4.1991      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9107      1.00000
      2     -21.8580      1.00000
      3     -21.6848      1.00000
      4     -21.1317      1.00000
      5     -20.7684      1.00000
      6     -20.7489      1.00000
      7     -20.2197      1.00000
      8     -20.1972      1.00000
      9     -20.0176      1.00000
     10     -20.0157      1.00000
     11     -19.6737      1.00000
     12     -19.6351      1.00000
     13     -18.6102      1.00000
     14     -18.5587      1.00000
     15     -18.0650      1.00000
     16     -18.0489      1.00000
     17     -17.8843      1.00000
     18     -17.8793      1.00000
     19     -17.5467      1.00000
     20     -17.5316      1.00000
     21     -17.0063      1.00000
     22     -16.9785      1.00000
     23     -16.8897      1.00000
     24     -16.8732      1.00000
     25     -15.8661      1.00000
     26     -15.6037      1.00000
     27     -15.5984      1.00000
     28     -15.5856      1.00000
     29     -14.9601      1.00000
     30     -14.2908      1.00000
     31     -14.2726      1.00000
     32     -14.0058      1.00000
     33     -13.7389      1.00000
     34     -13.7017      1.00000
     35     -13.5654      1.00000
     36     -13.5553      1.00000
     37     -13.3420      1.00000
     38     -13.3119      1.00000
     39     -13.1012      1.00000
     40     -12.3851      1.00000
     41     -11.9119      1.00000
     42     -11.8895      1.00000
     43     -11.7890      1.00000
     44     -11.7576      1.00000
     45     -11.4252      1.00000
     46     -11.4162      1.00000
     47     -10.9096      1.00000
     48     -10.8781      1.00000
     49     -10.5370      1.00000
     50     -10.4734      1.00000
     51     -10.2213      1.00000
     52      -9.9509      1.00000
     53      -9.9389      1.00000
     54      -9.9205      1.00000
     55      -9.7794      1.00000
     56      -9.7358      1.00000
     57      -9.7156      1.00000
     58      -9.5777      1.00000
     59      -9.5384      1.00000
     60      -9.5192      1.00000
     61      -9.5032      1.00000
     62      -9.2017      1.00000
     63      -9.1147      1.00000
     64      -8.8498      1.00000
     65      -8.8068      1.00000
     66      -8.7481      1.00000
     67      -8.7072      1.00000
     68      -8.5978      1.00000
     69      -8.4554      1.00000
     70      -8.4448      1.00000
     71      -8.3140      1.00000
     72      -8.2925      1.00000
     73      -8.2104      1.00000
     74      -8.2052      1.00000
     75      -8.0868      1.00000
     76      -8.0464      1.00000
     77      -7.8391      1.00000
     78      -7.8034      1.00000
     79      -7.7014      1.00000
     80      -7.4408      1.00000
     81      -7.3676      1.00000
     82      -7.2517      1.00000
     83      -6.8294      1.00000
     84      -6.7123      1.00000
     85      -6.6346      1.00000
     86      -6.3870      1.00000
     87      -6.3069      1.00000
     88      -6.2675      1.00000
     89      -6.2014      1.00000
     90      -6.1293      1.00000
     91      -5.7528      1.00000
     92      -5.5578      1.00000
     93      -5.5193      1.00000
     94      -5.3677      1.00000
     95      -5.1663      1.00000
     96      -4.9872      1.00000
     97      -4.9795      1.00000
     98      -4.9443      1.00000
     99      -4.5090      1.00000
    100      -4.1367      1.00000
    101      -4.0663      1.00000
    102      -3.9854      1.00000
    103      -3.6363      1.00000
    104      -3.5954      1.00000
    105      -3.0563      1.00000
    106      -2.2013      0.00000
    107      -2.1555      0.00000
    108      -0.9321      0.00000
    109      -0.9233      0.00000
    110      -0.9147      0.00000
    111      -0.9032      0.00000
    112      -0.2452      0.00000
    113      -0.2378      0.00000
    114      -0.0945      0.00000
    115      -0.0710      0.00000
    116       0.2301      0.00000
    117       0.2392      0.00000
    118       0.7177      0.00000
    119       0.8190      0.00000
    120       0.9479      0.00000
    121       1.0254      0.00000
    122       1.2811      0.00000
    123       1.5982      0.00000
    124       1.6412      0.00000
    125       1.7765      0.00000
    126       1.9588      0.00000
    127       2.0486      0.00000
    128       2.0794      0.00000
    129       2.1525      0.00000
    130       2.3123      0.00000
    131       2.3842      0.00000
    132       2.4881      0.00000
    133       2.5150      0.00000
    134       2.7144      0.00000
    135       2.8290      0.00000
    136       2.9222      0.00000
    137       2.9582      0.00000
    138       2.9925      0.00000
    139       3.0256      0.00000
    140       3.0922      0.00000
    141       3.1217      0.00000
    142       3.1810      0.00000
    143       3.1950      0.00000
    144       3.2785      0.00000
    145       3.3806      0.00000
    146       3.4115      0.00000
    147       3.4386      0.00000
    148       3.4752      0.00000
    149       3.5028      0.00000
    150       3.5961      0.00000
    151       3.6096      0.00000
    152       3.6391      0.00000
    153       3.6612      0.00000
    154       3.8295      0.00000
    155       3.9494      0.00000
    156       3.9533      0.00000
    157       4.1174      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9981      1.00000
      2     -21.8053      1.00000
      3     -21.4405      1.00000
      4     -21.4141      1.00000
      5     -20.7028      1.00000
      6     -20.6697      1.00000
      7     -20.3329      1.00000
      8     -20.3079      1.00000
      9     -20.3002      1.00000
     10     -19.7632      1.00000
     11     -19.2417      1.00000
     12     -19.2120      1.00000
     13     -19.0483      1.00000
     14     -19.0313      1.00000
     15     -18.1750      1.00000
     16     -18.1426      1.00000
     17     -17.6693      1.00000
     18     -17.6433      1.00000
     19     -17.4911      1.00000
     20     -17.4562      1.00000
     21     -17.1838      1.00000
     22     -17.1597      1.00000
     23     -17.0687      1.00000
     24     -16.2309      1.00000
     25     -16.1927      1.00000
     26     -15.7108      1.00000
     27     -15.1527      1.00000
     28     -15.1305      1.00000
     29     -14.8421      1.00000
     30     -14.8168      1.00000
     31     -14.5806      1.00000
     32     -14.5713      1.00000
     33     -14.0607      1.00000
     34     -13.9914      1.00000
     35     -13.2188      1.00000
     36     -13.1381      1.00000
     37     -12.9275      1.00000
     38     -12.9006      1.00000
     39     -12.7303      1.00000
     40     -12.7077      1.00000
     41     -12.3613      1.00000
     42     -12.3375      1.00000
     43     -11.9494      1.00000
     44     -11.3189      1.00000
     45     -11.2684      1.00000
     46     -11.0520      1.00000
     47     -11.0135      1.00000
     48     -10.9074      1.00000
     49     -10.5294      1.00000
     50     -10.4060      1.00000
     51     -10.2248      1.00000
     52     -10.0540      1.00000
     53     -10.0536      1.00000
     54      -9.9428      1.00000
     55      -9.8675      1.00000
     56      -9.8308      1.00000
     57      -9.5800      1.00000
     58      -9.4904      1.00000
     59      -9.4593      1.00000
     60      -9.4461      1.00000
     61      -9.4396      1.00000
     62      -9.3867      1.00000
     63      -9.1131      1.00000
     64      -9.0913      1.00000
     65      -9.0608      1.00000
     66      -8.7410      1.00000
     67      -8.7054      1.00000
     68      -8.6547      1.00000
     69      -8.5263      1.00000
     70      -8.3338      1.00000
     71      -8.2828      1.00000
     72      -8.1745      1.00000
     73      -8.1334      1.00000
     74      -8.0433      1.00000
     75      -8.0322      1.00000
     76      -7.9995      1.00000
     77      -7.9802      1.00000
     78      -7.9710      1.00000
     79      -7.5661      1.00000
     80      -7.3233      1.00000
     81      -7.0950      1.00000
     82      -7.0157      1.00000
     83      -6.9453      1.00000
     84      -6.8845      1.00000
     85      -6.7482      1.00000
     86      -6.6980      1.00000
     87      -6.3596      1.00000
     88      -6.3448      1.00000
     89      -6.2416      1.00000
     90      -6.0197      1.00000
     91      -5.6962      1.00000
     92      -5.6136      1.00000
     93      -5.4659      1.00000
     94      -5.3811      1.00000
     95      -5.0782      1.00000
     96      -5.0367      1.00000
     97      -4.9770      1.00000
     98      -4.9472      1.00000
     99      -4.2197      1.00000
    100      -4.2105      1.00000
    101      -4.0067      1.00000
    102      -3.8677      1.00000
    103      -3.6704      1.00000
    104      -3.5655      1.00000
    105      -3.4145      1.00000
    106      -2.2350      0.00000
    107      -1.5833      0.00000
    108      -1.5285      0.00000
    109      -0.8515      0.00000
    110      -0.7714      0.00000
    111      -0.7513      0.00000
    112      -0.4011      0.00000
    113      -0.3998      0.00000
    114      -0.3613      0.00000
    115      -0.3480      0.00000
    116       0.4146      0.00000
    117       0.4714      0.00000
    118       0.8147      0.00000
    119       1.1284      0.00000
    120       1.1438      0.00000
    121       1.3077      0.00000
    122       1.4905      0.00000
    123       1.5168      0.00000
    124       1.6858      0.00000
    125       1.7694      0.00000
    126       1.8205      0.00000
    127       1.8455      0.00000
    128       1.9859      0.00000
    129       2.0558      0.00000
    130       2.1351      0.00000
    131       2.2694      0.00000
    132       2.4758      0.00000
    133       2.4963      0.00000
    134       2.5855      0.00000
    135       2.6579      0.00000
    136       2.6958      0.00000
    137       2.7543      0.00000
    138       2.9019      0.00000
    139       2.9178      0.00000
    140       3.0245      0.00000
    141       3.1144      0.00000
    142       3.2170      0.00000
    143       3.2451      0.00000
    144       3.4089      0.00000
    145       3.4373      0.00000
    146       3.4523      0.00000
    147       3.5481      0.00000
    148       3.6106      0.00000
    149       3.6677      0.00000
    150       3.6976      0.00000
    151       3.7242      0.00000
    152       3.7772      0.00000
    153       3.8240      0.00000
    154       3.9120      0.00000
    155       3.9211      0.00000
    156       3.9786      0.00000
    157       3.9966      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   201.9332   -5.4099    2.9938   -0.8965   -0.1690   17.4763    0.2909   -0.5573    0.5508   -0.3593
x    -3.1412   -0.0291   -0.0382    0.0123    0.0419   -2.9989   -0.0155   -0.0036    0.0039    0.0014
x    -0.0956   -0.0030    0.0036   -0.0029    0.0018   -0.0240    0.0000    0.0000   -0.0002    0.0002
x    -0.0036   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   201.9332    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0035    0.0001    0.0017    0.0004    0.0005   -0.0956   -0.0296    0.0661   -0.0266
y     0.1045   -3.1659   -0.3995    0.0266   -1.2386   -0.4613
z   201.9332    1.0069   -0.0121    0.0008    0.0260    0.0792   -0.0029   -0.0003    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0835    0.0054   -0.0005    0.0003    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0010   -0.0002   -0.0002   -0.0001
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.3435
z    -0.4442    0.1646    0.0416    0.1374   -0.0892   -0.0010
 total charge-density along one line
x   210.0000   -8.3415    5.0146   -1.7404   -0.4164   19.4418   -0.9314    0.5351   -0.2049    0.0365
x    -2.7272   -0.0136   -0.0238    0.0180    0.0117   -2.2547   -0.0212   -0.0016    0.0040    0.0015
x    -0.0859   -0.0025    0.0040   -0.0041    0.0030   -0.0366    0.0000    0.0001   -0.0002    0.0001
x    -0.0057    0.0000   -0.0001    0.0001    0.0000    0.0012    0.0001    0.0000   -0.0001    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   210.0000   -8.3415    5.0146   -1.7404   -0.4164   19.4418   -0.9314    0.5351   -0.2049    0.0365
y    -2.7272   -0.0136   -0.0238    0.0180    0.0117   -2.2547   -0.0212   -0.0016    0.0040    0.0015
y    -0.0859   -0.0025    0.0040   -0.0041    0.0030   -0.0366    0.0000    0.0001   -0.0002    0.0001
y    -0.0057    0.0000   -0.0001    0.0001    0.0000    0.0012    0.0001    0.0000   -0.0001    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   210.0000 -204.7484  190.8030 -172.4483  153.9300 -137.4570  122.8707 -108.7836   94.0738  -78.7268
z    63.7179  -50.2967   39.2794  -30.7558   24.2539  -19.1264   14.8770  -11.2757    8.2835   -5.9097
z     4.1129   -2.7880    1.8095   -1.0779    0.5349   -0.1491   -0.1064    0.2645   -0.3589    0.4140
z    -0.4403    0.4394   -0.4131    0.3688   -0.3180    0.2709   -0.2319    0.1999   -0.1711    0.1434
z    -0.1171    0.0944   -0.0766    0.0634   -0.0532    0.0445   -0.0367    0.0302   -0.0252    0.0215
z    -0.0185    0.0156   -0.0128    0.0103   -0.0084    0.0069   -0.0056    0.0043   -0.0031    0.0021
z    -0.0014    0.0009   -0.0005    0.0001    0.0002   -0.0004    0.0005   -0.0004    0.0004   -0.0004
z     0.0004   -0.0003    0.0002    0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0002    0.0002
z    -0.0002    0.0002   -0.0001    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000   -0.0001
z     0.0001    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.764   0.000  -0.011   0.000   0.001   0.173   0.000   0.002
  0.000 -10.957   0.000   0.049   0.000   0.000   0.197   0.000
 -0.011   0.000 -11.077   0.000   0.006   0.002   0.000   0.212
  0.000   0.049   0.000 -11.014   0.000   0.000  -0.006   0.000
  0.001   0.000   0.006   0.000 -10.762   0.000   0.000  -0.001
  0.173   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.197   0.000  -0.006   0.000   0.000   0.176   0.000
  0.002   0.000   0.212   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.006   0.000   0.204   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.173   0.000   0.000   0.000
 -0.020   0.000   0.093   0.000   0.012   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.029   0.000  -0.001   0.000   0.000  -0.004   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.031   0.000   0.000   0.000   0.000
  0.000  -0.022   0.000   0.000   0.000   0.000   0.003   0.000
  0.000   0.000  -0.022   0.000   0.000   0.000   0.000   0.003
  0.000   0.000   0.000  -0.023   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.764   0.000  -0.011   0.000   0.001   0.173   0.000   0.002
  0.000 -10.957   0.000   0.049   0.000   0.000   0.197   0.000
 -0.011   0.000 -11.077   0.000   0.006   0.002   0.000   0.212
  0.000   0.049   0.000 -11.014   0.000   0.000  -0.006   0.000
  0.001   0.000   0.006   0.000 -10.762   0.000   0.000  -0.001
  0.173   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.197   0.000  -0.006   0.000   0.000   0.176   0.000
  0.002   0.000   0.212   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.006   0.000   0.204   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.173   0.000   0.000   0.000
 -0.020   0.000   0.093   0.000   0.012   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.029   0.000  -0.001   0.000   0.000  -0.004   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.031   0.000   0.000   0.000   0.000
  0.000  -0.022   0.000   0.000   0.000   0.000   0.003   0.000
  0.000   0.000  -0.022   0.000   0.000   0.000   0.000   0.003
  0.000   0.000   0.000  -0.023   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.937   0.000   0.063   0.000   0.004   0.097   0.000  -0.030   0.000  -0.009   0.095  -0.014   0.000   0.037   0.000   0.000
  0.000   1.880   0.000   0.110   0.000   0.000   0.216   0.000  -0.090   0.000   0.000   0.000   0.004   0.000   0.024   0.033
  0.063   0.000   1.727   0.000  -0.037  -0.015   0.000   0.307   0.000   0.008  -0.338   0.069   0.000  -0.089   0.000   0.000
  0.000   0.110   0.000   1.764   0.000   0.000  -0.090   0.000   0.315   0.000   0.000   0.000   0.025   0.000  -0.020  -0.001
  0.004   0.000  -0.037   0.000   1.944  -0.009   0.000   0.016   0.000   0.085  -0.086   0.005   0.000  -0.028   0.000   0.000
  0.097   0.000  -0.015   0.000  -0.009   0.035   0.000  -0.044   0.000   0.004  -0.080   0.032   0.000   0.026   0.000   0.000
  0.000   0.216   0.000  -0.090   0.000   0.000   0.157   0.000  -0.086   0.000   0.000   0.000  -0.050   0.000   0.029   0.006
 -0.030   0.000   0.307   0.000   0.016  -0.044   0.000   0.534   0.000   0.026   0.458  -0.287   0.000  -0.220   0.000   0.000
  0.000  -0.090   0.000   0.315   0.000   0.000  -0.086   0.000   0.258   0.000   0.000   0.000   0.029   0.000  -0.084  -0.003
 -0.009   0.000   0.008   0.000   0.085   0.004   0.000   0.026   0.000   0.041   0.053  -0.018   0.000  -0.014   0.000   0.000
  0.095   0.000  -0.338   0.000  -0.086  -0.080   0.000   0.458   0.000   0.053   0.943  -0.353   0.000  -0.218   0.000   0.000
 -0.014   0.000   0.069   0.000   0.005   0.032   0.000  -0.287   0.000  -0.018  -0.353   0.240   0.000   0.141   0.000   0.000
  0.000   0.004   0.000   0.025   0.000   0.000  -0.050   0.000   0.029   0.000   0.000   0.000   0.021   0.000  -0.011  -0.001
  0.037   0.000  -0.089   0.000  -0.028   0.026   0.000  -0.220   0.000  -0.014  -0.218   0.141   0.000   0.102   0.000   0.000
  0.000   0.024   0.000  -0.020   0.000   0.000   0.029   0.000  -0.084   0.000   0.000   0.000  -0.011   0.000   0.035   0.001
  0.000   0.033   0.000  -0.001   0.000   0.000   0.006   0.000  -0.003   0.000   0.000   0.000  -0.001   0.000   0.001   0.001
 -0.002   0.000   0.036   0.000   0.001  -0.002   0.000   0.022   0.000   0.001   0.009  -0.011   0.000  -0.009   0.000   0.000
  0.000  -0.001   0.000   0.035   0.000   0.000  -0.003   0.000   0.010   0.000   0.000   0.000   0.001   0.000  -0.002   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.453   0.117   8.190   8.761
  2        0.863   1.781   0.000   2.644
  3        0.863   1.781   0.000   2.644
  4        0.863   1.782   0.000   2.645
  5        0.864   1.785   0.000   2.649
  6        0.864   1.783   0.000   2.646
  7        0.864   1.782   0.000   2.646
  8        0.863   1.782   0.000   2.645
  9        0.863   1.780   0.000   2.643
 10        0.863   1.786   0.000   2.649
 11        0.864   1.782   0.000   2.645
 12        0.864   1.784   0.000   2.648
 13        0.864   1.784   0.000   2.648
 14        0.864   1.774   0.000   2.638
 15        0.849   1.752   0.000   2.600
 16        0.863   1.786   0.000   2.649
 17        0.863   1.782   0.000   2.646
 18        0.863   1.782   0.000   2.645
 19        0.862   1.781   0.000   2.643
 20        0.864   1.771   0.000   2.635
 21        0.863   1.780   0.000   2.643
 22        0.863   1.782   0.000   2.645
 23        0.863   1.782   0.000   2.645
 24        0.863   1.782   0.000   2.645
 25        0.864   1.784   0.000   2.648
 26        0.863   1.782   0.000   2.645
 27        0.863   1.782   0.000   2.645
 28        0.863   1.782   0.000   2.645
 29        0.864   1.784   0.000   2.648
 30        0.863   1.782   0.000   2.645
 31        0.863   1.782   0.000   2.645
 32        0.863   1.782   0.000   2.646
 33        0.863   1.780   0.000   2.643
 34        0.864   1.771   0.000   2.635
 35        0.862   1.781   0.000   2.643
 36        0.863   1.782   0.000   2.645
 37        0.864   1.784   0.000   2.648
 38        0.863   1.786   0.000   2.649
 39        0.849   1.752   0.000   2.600
 40        0.864   1.774   0.000   2.638
 41        0.864   1.784   0.000   2.648
 42        0.864   1.782   0.000   2.646
 43        0.864   1.782   0.000   2.645
 44        0.863   1.786   0.000   2.649
 45        0.863   1.780   0.000   2.643
 46        0.863   1.782   0.000   2.645
 47        0.863   1.781   0.000   2.644
 48        0.864   1.783   0.000   2.646
 49        0.864   1.785   0.000   2.649
 50        0.863   1.782   0.000   2.645
 51        0.863   1.781   0.000   2.644
------------------------------------------------
tot       43.596  89.137   8.190 140.923
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


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


    CHARGE:  VPU time   90.18: CPU time   45.50
    FORLOC:  VPU time    0.98: CPU time    0.98
    FORNL :  VPU time  358.77: CPU time  179.79
    STRESS:  VPU time 1077.74: CPU time  541.29
    FORCOR:  VPU time    7.46: CPU time    7.46
    FORHAR:  VPU time    1.87: CPU time    1.88
    MIXING:  VPU time    0.13: CPU time    0.12
 d Force = 0.3542691E-03[ 0.624E-04, 0.646E-03]  d Energy = 0.4754161E-03-0.121E-03
 d Force =-0.2848778E+00[-0.286E+00,-0.283E+00]  d Ewald  =-0.5579530E+01 0.529E+01


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -463.179958 eV

  energy  without entropy=     -463.179958  energy(sigma->0) =     -463.179958
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     92.66     92.66     92.66
  Ewald    40651.42  40621.89 -47392.12    -25.57      0.00      0.00
  Hartree  40135.71  40122.50 -39451.50    -11.45      0.00      0.00
  E(xc)     -773.67   -773.79   -801.36     -0.11      0.00      0.00
  Local   -83063.70 -83025.50  84175.11     33.08      0.00      0.00
  n-local   -218.62   -215.35   -211.05      1.66      0.00      0.00
  augment     20.96     21.43     18.80      0.40      0.00      0.00
  Kinetic   3151.13   3159.91   3569.42     -0.06      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.27     -0.08     -0.04      0.17      0.00      0.00
  in kB       -0.16     -0.05     -0.03      0.10      0.00      0.00
  external pressure =       -0.08 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.351432214  0.001146197  0.000000000     0.080957934  0.046731138  0.000000000
    -6.174730116 10.697222765  0.000000000    -0.000008675  0.093477200  0.000000000
     0.000000000  0.000000000 19.965185309     0.000000000  0.000000000  0.050087189

  length of vectors
    12.351432267 12.351431774 19.965185309     0.093477197  0.093477201  0.050087189


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.856E-05 -.405E-04 -.112E+04   0.597E-05 -.295E-04 0.112E+04   0.372E-21 -.138E-20 0.491E+01   -.155E-06 0.907E-07 0.382E-02
   -.166E+01 0.960E+00 0.208E+02   0.167E+01 -.966E+00 -.208E+02   0.523E-02 -.302E-02 0.201E-01   -.116E-01 0.670E-02 -.342E-02
   0.517E+01 0.603E+01 0.234E+02   -.514E+01 -.606E+01 -.234E+02   -.673E-02 0.181E-01 -.378E-02   -.117E-01 0.802E-02 -.163E-02
   0.100E+02 0.523E+01 0.189E+02   -.100E+02 -.525E+01 -.189E+02   0.623E-03 0.149E-01 -.577E-01   -.114E-01 0.758E-02 0.943E-04
   0.397E+01 -.119E+01 0.175E+02   -.397E+01 0.121E+01 -.176E+02   0.178E-01 -.220E-01 0.320E-01   -.124E-01 0.760E-02 -.728E-03
   -.230E+01 -.244E+01 0.163E+02   0.233E+01 0.244E+01 -.164E+02   -.133E-01 -.114E-01 0.272E-01   -.126E-01 0.683E-02 -.355E-02
   0.959E+00 0.321E+01 0.163E+02   -.945E+00 -.324E+01 -.164E+02   0.324E-02 0.172E-01 0.272E-01   -.122E-01 0.751E-02 -.356E-02
   0.304E+01 0.167E+02 0.264E+02   -.304E+01 -.168E+02 -.265E+02   0.177E-01 0.387E-01 0.446E-01   -.139E-01 0.111E-01 0.246E-02
   0.192E+02 0.227E+02 0.355E+02   -.192E+02 -.229E+02 -.354E+02   0.417E-01 0.158E+00 -.132E+00   -.113E-01 0.348E-02 0.493E-02
   0.254E+02 -.525E+01 0.216E+02   -.256E+02 0.534E+01 -.217E+02   0.182E+00 -.105E+00 0.636E-01   -.127E-01 0.501E-02 0.764E-03
   0.886E+01 -.512E+01 0.146E+02   -.882E+01 0.509E+01 -.147E+02   -.237E-01 0.137E-01 0.458E-01   -.105E-01 0.605E-02 -.228E-02
   0.302E+01 -.284E+01 0.175E+02   -.303E+01 0.284E+01 -.176E+02   0.279E-01 -.444E-02 0.320E-01   -.128E-01 0.689E-02 -.738E-03
   -.551E+01 0.120E+02 0.199E+02   0.552E+01 -.120E+02 -.200E+02   0.120E-01 0.400E-01 0.332E-01   -.142E-01 0.784E-02 0.111E-02
   -.118E+02 0.326E+02 0.319E+02   0.118E+02 -.331E+02 -.325E+02   0.247E-01 0.462E+00 0.536E+00   -.160E-01 0.852E-02 0.171E-02
   0.343E+02 -.198E+02 0.347E+02   -.355E+02 0.205E+02 -.374E+02   0.129E+01 -.744E+00 0.275E+01   -.314E-02 0.181E-02 -.106E-02
   0.173E+02 -.194E+02 0.216E+02   -.174E+02 0.195E+02 -.217E+02   0.181E+00 -.105E+00 0.636E-01   -.107E-01 0.849E-02 0.758E-03
   0.479E+00 -.113E+02 0.189E+02   -.449E+00 0.113E+02 -.189E+02   -.126E-01 -.797E-02 -.577E-01   -.123E-01 0.609E-02 0.882E-04
   -.352E+01 0.105E+01 0.145E+02   0.355E+01 -.107E+01 -.145E+02   -.730E-02 0.769E-02 -.465E-01   -.118E-01 0.487E-02 -.314E-02
   -.162E+02 0.936E+01 0.156E+02   0.163E+02 -.939E+01 -.154E+02   -.268E-01 0.155E-01 -.157E+00   -.111E-01 0.640E-02 0.222E-02
   -.342E+02 -.604E+01 0.319E+02   0.346E+02 0.628E+01 -.325E+02   -.387E+00 -.252E+00 0.536E+00   -.154E-01 0.963E-02 0.172E-02
   -.101E+02 -.280E+02 0.355E+02   0.102E+02 0.281E+02 -.354E+02   -.116E+00 -.115E+00 -.132E+00   -.868E-02 0.806E-02 0.493E-02
   -.264E+01 -.749E+01 0.234E+02   0.268E+01 0.749E+01 -.234E+02   -.191E-01 -.323E-02 -.378E-02   -.128E-01 0.609E-02 -.163E-02
   0.780E+00 -.450E+00 0.166E+02   -.761E+00 0.439E+00 -.166E+02   -.425E-02 0.245E-02 -.356E-01   -.104E-01 0.601E-02 -.413E-02
   -.267E+01 0.252E+01 0.145E+02   0.270E+01 -.254E+01 -.145E+02   -.103E-01 0.248E-02 -.465E-01   -.101E-01 0.775E-02 -.314E-02
   -.131E+02 -.121E+01 0.199E+02   0.132E+02 0.123E+01 -.200E+02   -.286E-01 -.304E-01 0.332E-01   -.139E-01 0.841E-02 0.112E-02
   -.130E+02 -.110E+02 0.264E+02   0.130E+02 0.110E+02 -.265E+02   -.247E-01 -.347E-01 0.446E-01   -.166E-01 0.650E-02 0.246E-02
   0.264E+01 0.749E+01 0.234E+02   -.268E+01 -.749E+01 -.234E+02   0.191E-01 0.323E-02 -.378E-02   0.128E-01 -.609E-02 -.163E-02
   0.130E+02 0.110E+02 0.264E+02   -.130E+02 -.110E+02 -.265E+02   0.247E-01 0.347E-01 0.446E-01   0.166E-01 -.650E-02 0.246E-02
   0.131E+02 0.121E+01 0.199E+02   -.132E+02 -.123E+01 -.200E+02   0.286E-01 0.304E-01 0.332E-01   0.139E-01 -.841E-02 0.112E-02
   0.267E+01 -.252E+01 0.145E+02   -.270E+01 0.254E+01 -.145E+02   0.103E-01 -.248E-02 -.465E-01   0.101E-01 -.775E-02 -.314E-02
   -.780E+00 0.451E+00 0.166E+02   0.761E+00 -.439E+00 -.166E+02   0.425E-02 -.245E-02 -.356E-01   0.104E-01 -.601E-02 -.413E-02
   -.479E+00 0.113E+02 0.189E+02   0.449E+00 -.113E+02 -.189E+02   0.126E-01 0.797E-02 -.577E-01   0.123E-01 -.609E-02 0.882E-04
   0.101E+02 0.280E+02 0.355E+02   -.102E+02 -.281E+02 -.354E+02   0.116E+00 0.115E+00 -.132E+00   0.868E-02 -.806E-02 0.493E-02
   0.342E+02 0.604E+01 0.319E+02   -.346E+02 -.628E+01 -.325E+02   0.387E+00 0.252E+00 0.536E+00   0.154E-01 -.963E-02 0.172E-02
   0.162E+02 -.936E+01 0.156E+02   -.163E+02 0.939E+01 -.154E+02   0.268E-01 -.155E-01 -.157E+00   0.111E-01 -.640E-02 0.222E-02
   0.352E+01 -.105E+01 0.145E+02   -.355E+01 0.107E+01 -.145E+02   0.730E-02 -.769E-02 -.465E-01   0.118E-01 -.487E-02 -.314E-02
   -.302E+01 0.284E+01 0.175E+02   0.303E+01 -.284E+01 -.176E+02   -.279E-01 0.444E-02 0.320E-01   0.128E-01 -.689E-02 -.738E-03
   -.173E+02 0.194E+02 0.216E+02   0.174E+02 -.195E+02 -.217E+02   -.181E+00 0.105E+00 0.636E-01   0.107E-01 -.849E-02 0.758E-03
   -.343E+02 0.198E+02 0.347E+02   0.355E+02 -.205E+02 -.374E+02   -.129E+01 0.744E+00 0.275E+01   0.314E-02 -.181E-02 -.106E-02
   0.118E+02 -.326E+02 0.319E+02   -.118E+02 0.331E+02 -.325E+02   -.247E-01 -.462E+00 0.536E+00   0.160E-01 -.852E-02 0.171E-02
   0.551E+01 -.120E+02 0.199E+02   -.552E+01 0.120E+02 -.200E+02   -.120E-01 -.400E-01 0.332E-01   0.142E-01 -.784E-02 0.111E-02
   -.959E+00 -.321E+01 0.163E+02   0.945E+00 0.324E+01 -.164E+02   -.324E-02 -.172E-01 0.272E-01   0.122E-01 -.751E-02 -.356E-02
   -.886E+01 0.512E+01 0.146E+02   0.882E+01 -.509E+01 -.147E+02   0.237E-01 -.137E-01 0.458E-01   0.105E-01 -.605E-02 -.228E-02
   -.254E+02 0.525E+01 0.216E+02   0.256E+02 -.534E+01 -.217E+02   -.182E+00 0.105E+00 0.636E-01   0.127E-01 -.501E-02 0.764E-03
   -.192E+02 -.227E+02 0.355E+02   0.192E+02 0.229E+02 -.354E+02   -.417E-01 -.158E+00 -.132E+00   0.113E-01 -.348E-02 0.493E-02
   -.304E+01 -.167E+02 0.264E+02   0.304E+01 0.168E+02 -.265E+02   -.177E-01 -.387E-01 0.446E-01   0.139E-01 -.111E-01 0.246E-02
   0.166E+01 -.960E+00 0.208E+02   -.167E+01 0.967E+00 -.208E+02   -.523E-02 0.302E-02 0.201E-01   0.116E-01 -.670E-02 -.342E-02
   0.230E+01 0.244E+01 0.163E+02   -.233E+01 -.244E+01 -.164E+02   0.133E-01 0.114E-01 0.272E-01   0.126E-01 -.683E-02 -.355E-02
   -.397E+01 0.119E+01 0.175E+02   0.397E+01 -.121E+01 -.176E+02   -.178E-01 0.220E-01 0.320E-01   0.124E-01 -.760E-02 -.728E-03
   -.100E+02 -.523E+01 0.189E+02   0.100E+02 0.525E+01 -.189E+02   -.623E-03 -.149E-01 -.577E-01   0.114E-01 -.758E-02 0.943E-04
   -.517E+01 -.603E+01 0.234E+02   0.514E+01 0.606E+01 -.234E+02   0.673E-02 -.181E-01 -.378E-02   0.117E-01 -.802E-02 -.163E-02
 -----------------------------------------------------------------------------------------------
   -.182E-02 0.321E-03 -.121E+02   0.755E-13 -.163E-12 0.320E-13   -.159E-15 0.104E-16 0.122E+02   -.325E-06 0.285E-06 -.545E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85327      6.06226     12.22631         0.000000      0.000000      0.014938
     -6.17422     10.69693      9.91286         0.005318     -0.003070     -0.004127
     11.11598      2.13970      9.91713         0.004830     -0.003049     -0.003413
      9.87921      4.27984      9.94345         0.006605     -0.002279     -0.000366
      8.64530      6.41952      9.94258         0.005129     -0.002116      0.000064
     -4.93737      8.55786      9.93253         0.003579     -0.003178     -0.004370
     -3.70331     10.69532      9.93253         0.004542     -0.001511     -0.004370
      1.23551      2.13779      9.94294         0.004465     -0.003008      0.002575
     -0.00546      4.27830     10.00396         0.005072     -0.002002      0.005129
     -1.24175      6.41659     10.01203         0.007155     -0.003454      0.003402
     -2.46725      8.55671      9.95871         0.005269     -0.003042     -0.001846
      4.93989      0.00156      9.94258         0.004396     -0.003384      0.000064
      3.70628      2.13475      9.95855         0.005451     -0.001765      0.000925
      2.47412      4.25427     10.08975         0.004214     -0.001700     -0.001281
      1.21706      6.42957     10.25989         0.002915     -0.001683      0.002787
     -0.00110      8.56546     10.01203         0.006569     -0.004469      0.003402
      7.40987      0.00281      9.94345         0.005276     -0.004581     -0.000366
      6.17537      2.13994      9.94429         0.005375     -0.002592     -0.004595
      4.94338      4.27818     10.00070         0.003152     -0.001820      0.004667
      3.72946      6.42858     10.08975         0.003579     -0.002799     -0.001281
      2.46886      8.56394     10.00396         0.004269     -0.003391      0.005129
      9.88166      0.00181      9.91713         0.005055     -0.002658     -0.003413
      8.64513      2.14098      9.92414         0.004486     -0.002590     -0.005084
      7.41115      4.28037      9.94429         0.004932     -0.003359     -0.004595
      6.18110      6.42126      9.95855         0.004254     -0.003838      0.000925
      4.94308      8.55949      9.94294         0.004838     -0.002363      0.002575
     -0.00038      1.42548      9.91713        -0.005055      0.002658     -0.003413
     -1.23653      3.56503      9.94294        -0.004838      0.002363      0.002575
     -2.47455      5.70325      9.95855        -0.004254      0.003838      0.000925
     -3.70460      7.84415      9.94429        -0.004932      0.003359     -0.004595
     -4.93858      9.98353      9.92414        -0.004486      0.002590     -0.005084
      2.47141      1.42448      9.94345        -0.005276      0.004581     -0.000366
      1.23769      3.56057     10.00396        -0.004269      0.003391      0.005129
     -0.02291      5.69593     10.08975        -0.003579      0.002799     -0.001281
     -1.23683      7.84633     10.00070        -0.003152      0.001820      0.004667
     -2.46883      9.98457      9.94429        -0.005375      0.002592     -0.004595
      4.94139      1.42573      9.94258        -0.004396      0.003384      0.000064
      3.70765      3.55905     10.01203        -0.006569      0.004469      0.003402
      2.48948      5.69494     10.25989        -0.002915      0.001683      0.002787
      1.23243      7.87024     10.08975        -0.004214      0.001700     -0.001281
      0.00027      9.98977      9.95855        -0.005451      0.001765      0.000925
      7.40985      1.42919      9.93253        -0.004542      0.001511     -0.004370
      6.17379      3.56781      9.95871        -0.005269      0.003042     -0.001846
      4.94830      5.70792     10.01203        -0.007155      0.003454      0.003402
      3.71200      7.84621     10.00396        -0.005072      0.002002      0.005129
      2.47103      9.98672      9.94294        -0.004465      0.003008      0.002575
      9.88076      1.42759      9.91286        -0.005318      0.003070     -0.004127
      8.64392      3.56665      9.93253        -0.003579      0.003178     -0.004370
      7.41268      5.70614      9.94258        -0.005129      0.002116      0.000064
      6.17877      7.84582      9.94345        -0.006605      0.002279     -0.000366
      4.94200      9.98596      9.91713        -0.004830      0.003049     -0.003413
 -----------------------------------------------------------------------------------
    total drift:                               -0.001820      0.000322      0.012837


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




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


    WAVPRE:  VPU time    1.38: CPU time    1.38
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.19: CPU time    1.18
    ORTHCH:  VPU time  148.70: CPU time   74.42
     LOOP+:  VPU time 4728.90: CPU time 2413.73


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


    POTLOK:  VPU time    7.62: CPU time    7.62
    SETDIJ:  VPU time    0.27: CPU time    0.28
    EDDAV :  VPU time 1170.51: CPU time  597.54
 BZINTS: Fermi energy: -2.862575;210.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   90.10: CPU time   45.45
    MIXING:  VPU time    0.11: CPU time    0.11
    ------------------------------------------
      LOOP:  VPU time 1268.68: CPU time  651.02

 eigenvalue-minimisations  :  4404
 total energy-change (2. order) :-0.4631799E+03  (-0.1519516E-04)
 number of electron  210.0000059 magnetization    0.0000000
 augmentation part     8.0666827 magnetization    0.0000001

 Broyden mixing:
  rms(total) = 0.91668E-03    rms(broyden)= 0.91640E-03
  rms(prec ) = 0.10193E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        92.65872319
  Ewald energy   TEWEN  =     33881.81115254
  -1/2 Hartree   DENC   =    -40806.75786120
  -V(xc)+E(xc)   XCENC  =       721.16330809
  PAW double counting   =      4068.39051022    -4104.93043863
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2402.04956447
  atomic energy  EATOM  =      8086.53425045
  ---------------------------------------------------
  free energy    TOTEN  =      -463.17991981 eV

  energy without entropy =     -463.17991981  energy(sigma->0) =     -463.17991981


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




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


    POTLOK:  VPU time    7.62: CPU time    7.62
    SETDIJ:  VPU time    0.27: CPU time    0.27
    EDDAV :  VPU time 1156.78: CPU time  590.64
 BZINTS: Fermi energy: -2.861716;210.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1164.73: CPU time  598.56

 eigenvalue-minimisations  :  4328
 total energy-change (2. order) :-0.4144777E-05  (-0.2073787E-05)
 number of electron  210.0000059 magnetization    0.0000000
 augmentation part     8.0666827 magnetization    0.0000001

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        92.65872319
  Ewald energy   TEWEN  =     33881.81115254
  -1/2 Hartree   DENC   =    -40806.80683935
  -V(xc)+E(xc)   XCENC  =       721.16372979
  PAW double counting   =      4068.36953894    -4104.90990514
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2402.00057438
  atomic energy  EATOM  =      8086.53425045
  ---------------------------------------------------
  free energy    TOTEN  =      -463.17992396 eV

  energy without entropy =     -463.17992396  energy(sigma->0) =     -463.17992396


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.6991
  (the norm of the test charge is              1.0000)
       1 -57.8807       2 -58.0673       3 -58.0592       4 -58.0641       5 -58.0603
       6 -58.0631       7 -58.0631       8 -58.0670       9 -58.0977      10 -58.0698
      11 -58.0726      12 -58.0603      13 -58.0668      14 -58.2014      15 -58.6726
      16 -58.0698      17 -58.0641      18 -58.0626      19 -58.0684      20 -58.2014
      21 -58.0977      22 -58.0593      23 -58.0607      24 -58.0626      25 -58.0669
      26 -58.0670      27 -58.0592      28 -58.0669      29 -58.0668      30 -58.0625
      31 -58.0606      32 -58.0640      33 -58.0976      34 -58.2014      35 -58.0684
      36 -58.0625      37 -58.0602      38 -58.0697      39 -58.6726      40 -58.2014
      41 -58.0668      42 -58.0630      43 -58.0725      44 -58.0697      45 -58.0976
      46 -58.0669      47 -58.0672      48 -58.0630      49 -58.0602      50 -58.0640
      51 -58.0592
 
 
 
 E-fermi :  -2.8617     XC(G=0):  -2.3216     alpha+bet : -1.9785
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.1445      1.00000
      2     -21.3031      1.00000
      3     -21.2015      1.00000
      4     -21.1892      1.00000
      5     -21.1881      1.00000
      6     -21.1684      1.00000
      7     -21.1677      1.00000
      8     -19.4475      1.00000
      9     -19.3675      1.00000
     10     -19.3649      1.00000
     11     -19.3555      1.00000
     12     -19.3357      1.00000
     13     -19.3331      1.00000
     14     -18.5418      1.00000
     15     -18.4792      1.00000
     16     -18.4748      1.00000
     17     -18.4475      1.00000
     18     -18.4456      1.00000
     19     -18.4351      1.00000
     20     -16.4092      1.00000
     21     -16.3256      1.00000
     22     -16.3197      1.00000
     23     -16.3125      1.00000
     24     -16.2981      1.00000
     25     -16.2965      1.00000
     26     -15.3803      1.00000
     27     -15.3357      1.00000
     28     -15.3023      1.00000
     29     -15.2987      1.00000
     30     -15.2932      1.00000
     31     -15.2819      1.00000
     32     -14.0324      1.00000
     33     -13.9954      1.00000
     34     -13.9704      1.00000
     35     -13.9659      1.00000
     36     -13.9536      1.00000
     37     -13.9419      1.00000
     38     -11.7547      1.00000
     39     -11.6399      1.00000
     40     -11.6010      1.00000
     41     -11.5910      1.00000
     42     -11.5891      1.00000
     43     -11.5857      1.00000
     44     -11.5011      1.00000
     45     -11.5008      1.00000
     46     -11.4806      1.00000
     47     -11.4610      1.00000
     48     -11.4570      1.00000
     49     -11.4550      1.00000
     50     -10.4096      1.00000
     51     -10.1509      1.00000
     52     -10.1313      1.00000
     53     -10.1098      1.00000
     54     -10.1077      1.00000
     55     -10.0911      1.00000
     56     -10.0630      1.00000
     57      -9.5580      1.00000
     58      -9.2099      1.00000
     59      -9.1654      1.00000
     60      -9.1250      1.00000
     61      -9.1058      1.00000
     62      -9.1042      1.00000
     63      -8.9286      1.00000
     64      -8.8531      1.00000
     65      -8.8513      1.00000
     66      -8.8389      1.00000
     67      -8.8309      1.00000
     68      -8.8057      1.00000
     69      -8.8036      1.00000
     70      -8.8003      1.00000
     71      -8.7966      1.00000
     72      -8.7799      1.00000
     73      -8.7588      1.00000
     74      -8.7559      1.00000
     75      -7.5281      1.00000
     76      -7.3223      1.00000
     77      -7.2623      1.00000
     78      -7.2276      1.00000
     79      -7.1777      1.00000
     80      -7.1729      1.00000
     81      -7.1494      1.00000
     82      -7.1477      1.00000
     83      -6.9964      1.00000
     84      -6.9897      1.00000
     85      -6.9882      1.00000
     86      -6.9779      1.00000
     87      -6.4118      1.00000
     88      -6.3766      1.00000
     89      -6.1638      1.00000
     90      -6.1314      1.00000
     91      -6.0980      1.00000
     92      -6.0954      1.00000
     93      -5.7230      1.00000
     94      -5.6788      1.00000
     95      -5.0820      1.00000
     96      -4.7009      1.00000
     97      -4.3182      1.00000
     98      -4.2634      1.00000
     99      -4.1378      1.00000
    100      -4.1325      1.00000
    101      -4.0537      1.00000
    102      -3.9286      1.00000
    103      -3.5974      1.00000
    104      -3.5091      1.00000
    105      -3.4910      1.00000
    106      -2.3377      0.00000
    107      -1.3497      0.00000
    108      -1.3269      0.00000
    109      -1.3200      0.00000
    110      -1.3184      0.00000
    111      -1.2424      0.00000
    112      -1.2007      0.00000
    113       0.3385      0.00000
    114       0.4253      0.00000
    115       0.4738      0.00000
    116       0.5046      0.00000
    117       0.5224      0.00000
    118       0.5226      0.00000
    119       0.7494      0.00000
    120       1.3471      0.00000
    121       1.3779      0.00000
    122       1.3882      0.00000
    123       1.6661      0.00000
    124       1.8788      0.00000
    125       1.8886      0.00000
    126       1.9003      0.00000
    127       2.0776      0.00000
    128       2.1184      0.00000
    129       2.2224      0.00000
    130       2.2267      0.00000
    131       2.2325      0.00000
    132       2.2398      0.00000
    133       2.2610      0.00000
    134       2.3728      0.00000
    135       2.4538      0.00000
    136       2.5058      0.00000
    137       2.6224      0.00000
    138       2.6406      0.00000
    139       2.6744      0.00000
    140       2.8423      0.00000
    141       2.9276      0.00000
    142       2.9303      0.00000
    143       3.0080      0.00000
    144       3.0168      0.00000
    145       3.0377      0.00000
    146       3.0491      0.00000
    147       3.4389      0.00000
    148       3.4786      0.00000
    149       3.6080      0.00000
    150       3.8917      0.00000
    151       3.9157      0.00000
    152       3.9342      0.00000
    153       3.9438      0.00000
    154       3.9793      0.00000
    155       4.0326      0.00000
    156       4.0692      0.00000
    157       4.2233      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.1074      1.00000
      2     -21.5474      1.00000
      3     -21.3677      1.00000
      4     -21.3352      1.00000
      5     -20.9973      1.00000
      6     -20.9618      1.00000
      7     -20.7882      1.00000
      8     -19.8953      1.00000
      9     -19.8568      1.00000
     10     -19.3470      1.00000
     11     -19.3156      1.00000
     12     -19.1502      1.00000
     13     -18.8262      1.00000
     14     -18.7899      1.00000
     15     -18.7781      1.00000
     16     -18.7651      1.00000
     17     -18.1018      1.00000
     18     -18.0753      1.00000
     19     -17.7547      1.00000
     20     -16.8158      1.00000
     21     -16.7598      1.00000
     22     -16.6892      1.00000
     23     -16.6707      1.00000
     24     -16.2132      1.00000
     25     -16.1894      1.00000
     26     -15.3631      1.00000
     27     -15.3319      1.00000
     28     -15.0101      1.00000
     29     -14.9686      1.00000
     30     -14.9098      1.00000
     31     -14.8318      1.00000
     32     -14.8029      1.00000
     33     -14.4433      1.00000
     34     -14.4248      1.00000
     35     -13.4806      1.00000
     36     -13.4550      1.00000
     37     -12.9771      1.00000
     38     -12.3733      1.00000
     39     -12.3195      1.00000
     40     -12.1939      1.00000
     41     -12.1755      1.00000
     42     -11.8833      1.00000
     43     -11.8439      1.00000
     44     -11.4730      1.00000
     45     -11.4169      1.00000
     46     -11.0067      1.00000
     47     -10.9657      1.00000
     48     -10.7804      1.00000
     49     -10.7441      1.00000
     50     -10.6819      1.00000
     51     -10.6370      1.00000
     52     -10.3060      1.00000
     53      -9.9001      1.00000
     54      -9.8986      1.00000
     55      -9.8520      1.00000
     56      -9.6913      1.00000
     57      -9.4777      1.00000
     58      -9.4431      1.00000
     59      -9.3826      1.00000
     60      -9.3553      1.00000
     61      -9.3162      1.00000
     62      -9.2668      1.00000
     63      -9.0621      1.00000
     64      -9.0462      1.00000
     65      -9.0017      1.00000
     66      -8.9516      1.00000
     67      -8.8869      1.00000
     68      -8.8524      1.00000
     69      -8.8403      1.00000
     70      -8.6816      1.00000
     71      -8.6147      1.00000
     72      -8.3720      1.00000
     73      -8.3400      1.00000
     74      -7.8577      1.00000
     75      -7.8161      1.00000
     76      -7.6395      1.00000
     77      -7.6039      1.00000
     78      -7.5041      1.00000
     79      -7.4968      1.00000
     80      -7.1524      1.00000
     81      -7.1311      1.00000
     82      -7.0947      1.00000
     83      -7.0518      1.00000
     84      -6.8597      1.00000
     85      -6.7676      1.00000
     86      -6.6317      1.00000
     87      -6.5386      1.00000
     88      -6.4273      1.00000
     89      -6.3694      1.00000
     90      -5.9169      1.00000
     91      -5.8924      1.00000
     92      -5.8735      1.00000
     93      -5.7557      1.00000
     94      -5.5442      1.00000
     95      -5.1397      1.00000
     96      -4.8144      1.00000
     97      -4.5250      1.00000
     98      -4.4348      1.00000
     99      -4.2569      1.00000
    100      -4.1742      1.00000
    101      -4.0545      1.00000
    102      -3.8894      1.00000
    103      -3.5666      1.00000
    104      -3.4920      1.00000
    105      -3.4636      1.00000
    106      -2.3533      0.00000
    107      -1.4926      0.00000
    108      -1.4279      0.00000
    109      -1.0673      0.00000
    110      -1.0495      0.00000
    111      -1.0190      0.00000
    112      -0.9861      0.00000
    113      -0.3644      0.00000
    114       0.0102      0.00000
    115       0.0384      0.00000
    116       0.7621      0.00000
    117       0.8570      0.00000
    118       0.9485      0.00000
    119       1.1036      0.00000
    120       1.2895      0.00000
    121       1.3446      0.00000
    122       1.4363      0.00000
    123       1.4685      0.00000
    124       1.5359      0.00000
    125       1.7029      0.00000
    126       1.7618      0.00000
    127       1.9499      0.00000
    128       1.9625      0.00000
    129       2.0806      0.00000
    130       2.1555      0.00000
    131       2.3182      0.00000
    132       2.3231      0.00000
    133       2.3451      0.00000
    134       2.4451      0.00000
    135       2.5729      0.00000
    136       2.7284      0.00000
    137       2.7625      0.00000
    138       2.7734      0.00000
    139       2.8239      0.00000
    140       2.9625      0.00000
    141       2.9766      0.00000
    142       3.0567      0.00000
    143       3.1060      0.00000
    144       3.1286      0.00000
    145       3.2710      0.00000
    146       3.2897      0.00000
    147       3.4312      0.00000
    148       3.4806      0.00000
    149       3.5515      0.00000
    150       3.6281      0.00000
    151       3.6623      0.00000
    152       3.7785      0.00000
    153       3.9410      0.00000
    154       3.9986      0.00000
    155       4.0645      0.00000
    156       4.0752      0.00000
    157       4.1301      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9981      1.00000
      2     -21.8016      1.00000
      3     -21.4435      1.00000
      4     -21.4098      1.00000
      5     -20.7041      1.00000
      6     -20.6656      1.00000
      7     -20.3422      1.00000
      8     -20.3035      1.00000
      9     -20.2926      1.00000
     10     -19.7625      1.00000
     11     -19.2430      1.00000
     12     -19.2084      1.00000
     13     -19.0448      1.00000
     14     -19.0241      1.00000
     15     -18.1837      1.00000
     16     -18.1402      1.00000
     17     -17.6693      1.00000
     18     -17.6373      1.00000
     19     -17.4953      1.00000
     20     -17.4560      1.00000
     21     -17.1807      1.00000
     22     -17.1557      1.00000
     23     -17.0796      1.00000
     24     -16.2084      1.00000
     25     -16.1860      1.00000
     26     -15.6919      1.00000
     27     -15.1633      1.00000
     28     -15.1344      1.00000
     29     -14.8457      1.00000
     30     -14.8200      1.00000
     31     -14.6135      1.00000
     32     -14.5785      1.00000
     33     -14.0288      1.00000
     34     -13.9912      1.00000
     35     -13.1865      1.00000
     36     -13.1391      1.00000
     37     -12.9358      1.00000
     38     -12.9067      1.00000
     39     -12.7122      1.00000
     40     -12.6971      1.00000
     41     -12.3756      1.00000
     42     -12.3451      1.00000
     43     -11.9449      1.00000
     44     -11.3408      1.00000
     45     -11.2735      1.00000
     46     -11.0715      1.00000
     47     -11.0206      1.00000
     48     -10.8947      1.00000
     49     -10.4548      1.00000
     50     -10.4048      1.00000
     51     -10.2271      1.00000
     52     -10.0607      1.00000
     53     -10.0510      1.00000
     54      -9.9331      1.00000
     55      -9.8571      1.00000
     56      -9.8483      1.00000
     57      -9.5552      1.00000
     58      -9.5178      1.00000
     59      -9.4696      1.00000
     60      -9.4397      1.00000
     61      -9.4231      1.00000
     62      -9.3872      1.00000
     63      -9.1073      1.00000
     64      -9.0924      1.00000
     65      -9.0580      1.00000
     66      -8.7957      1.00000
     67      -8.7051      1.00000
     68      -8.6187      1.00000
     69      -8.5460      1.00000
     70      -8.3516      1.00000
     71      -8.2713      1.00000
     72      -8.1411      1.00000
     73      -8.1260      1.00000
     74      -8.0826      1.00000
     75      -8.0237      1.00000
     76      -8.0034      1.00000
     77      -7.9953      1.00000
     78      -7.9723      1.00000
     79      -7.5417      1.00000
     80      -7.1460      1.00000
     81      -7.1091      1.00000
     82      -7.0928      1.00000
     83      -6.9996      1.00000
     84      -6.9647      1.00000
     85      -6.7316      1.00000
     86      -6.7249      1.00000
     87      -6.3798      1.00000
     88      -6.3134      1.00000
     89      -6.0536      1.00000
     90      -5.9931      1.00000
     91      -5.8146      1.00000
     92      -5.5970      1.00000
     93      -5.4681      1.00000
     94      -5.2960      1.00000
     95      -5.1339      1.00000
     96      -5.0651      1.00000
     97      -4.9705      1.00000
     98      -4.9679      1.00000
     99      -4.3826      1.00000
    100      -4.1408      1.00000
    101      -4.0902      1.00000
    102      -3.8381      1.00000
    103      -3.6086      1.00000
    104      -3.4142      1.00000
    105      -3.3892      1.00000
    106      -2.3678      0.00000
    107      -1.5879      0.00000
    108      -1.4934      0.00000
    109      -0.8802      0.00000
    110      -0.7578      0.00000
    111      -0.7411      0.00000
    112      -0.3958      0.00000
    113      -0.3771      0.00000
    114      -0.3622      0.00000
    115      -0.3457      0.00000
    116       0.4089      0.00000
    117       0.4755      0.00000
    118       0.8208      0.00000
    119       1.1177      0.00000
    120       1.1439      0.00000
    121       1.3782      0.00000
    122       1.4877      0.00000
    123       1.5184      0.00000
    124       1.6655      0.00000
    125       1.7865      0.00000
    126       1.8108      0.00000
    127       1.8402      0.00000
    128       1.9427      0.00000
    129       2.1120      0.00000
    130       2.1320      0.00000
    131       2.1814      0.00000
    132       2.4518      0.00000
    133       2.4896      0.00000
    134       2.6039      0.00000
    135       2.6661      0.00000
    136       2.7059      0.00000
    137       2.7563      0.00000
    138       2.8984      0.00000
    139       2.9534      0.00000
    140       3.0368      0.00000
    141       3.1229      0.00000
    142       3.2287      0.00000
    143       3.2444      0.00000
    144       3.4337      0.00000
    145       3.4453      0.00000
    146       3.4682      0.00000
    147       3.5205      0.00000
    148       3.5970      0.00000
    149       3.6724      0.00000
    150       3.6933      0.00000
    151       3.7284      0.00000
    152       3.7858      0.00000
    153       3.8436      0.00000
    154       3.9141      0.00000
    155       3.9153      0.00000
    156       3.9915      0.00000
    157       4.0282      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0339      1.00000
      2     -21.6734      1.00000
      3     -21.6314      1.00000
      4     -21.1019      1.00000
      5     -21.0815      1.00000
      6     -20.5556      1.00000
      7     -20.5140      1.00000
      8     -20.3511      1.00000
      9     -19.8015      1.00000
     10     -19.8008      1.00000
     11     -19.4456      1.00000
     12     -19.4258      1.00000
     13     -18.7235      1.00000
     14     -18.7218      1.00000
     15     -18.3704      1.00000
     16     -18.3592      1.00000
     17     -18.1924      1.00000
     18     -17.4230      1.00000
     19     -17.3615      1.00000
     20     -17.3462      1.00000
     21     -17.3244      1.00000
     22     -16.8549      1.00000
     23     -16.8409      1.00000
     24     -16.6934      1.00000
     25     -15.7294      1.00000
     26     -15.6765      1.00000
     27     -15.3210      1.00000
     28     -15.3073      1.00000
     29     -15.0433      1.00000
     30     -14.5975      1.00000
     31     -14.5651      1.00000
     32     -14.3197      1.00000
     33     -14.2833      1.00000
     34     -13.9046      1.00000
     35     -13.9021      1.00000
     36     -12.8805      1.00000
     37     -12.8229      1.00000
     38     -12.7865      1.00000
     39     -12.7635      1.00000
     40     -12.4529      1.00000
     41     -12.4496      1.00000
     42     -12.0670      1.00000
     43     -12.0497      1.00000
     44     -11.4235      1.00000
     45     -11.3765      1.00000
     46     -11.3095      1.00000
     47     -10.7139      1.00000
     48     -10.6614      1.00000
     49     -10.4015      1.00000
     50     -10.3753      1.00000
     51     -10.2471      1.00000
     52     -10.2407      1.00000
     53     -10.1863      1.00000
     54     -10.1808      1.00000
     55     -10.0918      1.00000
     56      -9.8132      1.00000
     57      -9.6498      1.00000
     58      -9.3558      1.00000
     59      -9.2972      1.00000
     60      -9.2603      1.00000
     61      -9.1514      1.00000
     62      -9.1352      1.00000
     63      -9.1144      1.00000
     64      -9.0719      1.00000
     65      -9.0370      1.00000
     66      -8.9342      1.00000
     67      -8.8991      1.00000
     68      -8.8520      1.00000
     69      -8.6094      1.00000
     70      -8.5977      1.00000
     71      -8.4752      1.00000
     72      -8.3494      1.00000
     73      -8.1960      1.00000
     74      -7.9577      1.00000
     75      -7.9173      1.00000
     76      -7.6797      1.00000
     77      -7.6083      1.00000
     78      -7.5711      1.00000
     79      -7.5707      1.00000
     80      -7.4589      1.00000
     81      -7.4463      1.00000
     82      -7.2060      1.00000
     83      -7.1459      1.00000
     84      -6.6831      1.00000
     85      -6.6560      1.00000
     86      -6.5624      1.00000
     87      -6.4267      1.00000
     88      -6.1887      1.00000
     89      -6.1171      1.00000
     90      -6.0599      1.00000
     91      -5.9677      1.00000
     92      -5.7986      1.00000
     93      -5.4207      1.00000
     94      -5.2395      1.00000
     95      -5.2036      1.00000
     96      -5.1148      1.00000
     97      -4.9711      1.00000
     98      -4.5191      1.00000
     99      -4.4611      1.00000
    100      -4.1330      1.00000
    101      -4.0929      1.00000
    102      -3.9718      1.00000
    103      -3.5987      1.00000
    104      -3.5445      1.00000
    105      -3.1012      1.00000
    106      -2.4580      0.00000
    107      -1.8274      0.00000
    108      -1.0203      0.00000
    109      -0.9633      0.00000
    110      -0.9317      0.00000
    111      -0.6827      0.00000
    112      -0.6794      0.00000
    113      -0.5459      0.00000
    114      -0.5453      0.00000
    115       0.4297      0.00000
    116       0.4389      0.00000
    117       0.5306      0.00000
    118       0.7921      0.00000
    119       1.0128      0.00000
    120       1.0886      0.00000
    121       1.2482      0.00000
    122       1.2829      0.00000
    123       1.6077      0.00000
    124       1.6568      0.00000
    125       1.6971      0.00000
    126       1.8349      0.00000
    127       2.0222      0.00000
    128       2.0383      0.00000
    129       2.0569      0.00000
    130       2.2451      0.00000
    131       2.2735      0.00000
    132       2.3809      0.00000
    133       2.5242      0.00000
    134       2.5670      0.00000
    135       2.6797      0.00000
    136       2.7661      0.00000
    137       2.8018      0.00000
    138       2.8487      0.00000
    139       2.8561      0.00000
    140       3.1021      0.00000
    141       3.1147      0.00000
    142       3.1545      0.00000
    143       3.1652      0.00000
    144       3.2420      0.00000
    145       3.2966      0.00000
    146       3.3994      0.00000
    147       3.4404      0.00000
    148       3.5573      0.00000
    149       3.5938      0.00000
    150       3.7162      0.00000
    151       3.7546      0.00000
    152       3.8414      0.00000
    153       3.9263      0.00000
    154       3.9526      0.00000
    155       3.9796      0.00000
    156       3.9977      0.00000
    157       4.0979      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9144      1.00000
      2     -21.8499      1.00000
      3     -21.6856      1.00000
      4     -21.1298      1.00000
      5     -20.7782      1.00000
      6     -20.7370      1.00000
      7     -20.2296      1.00000
      8     -20.1842      1.00000
      9     -20.0315      1.00000
     10     -20.0001      1.00000
     11     -19.6799      1.00000
     12     -19.6261      1.00000
     13     -18.6089      1.00000
     14     -18.5490      1.00000
     15     -18.0954      1.00000
     16     -18.0295      1.00000
     17     -17.8935      1.00000
     18     -17.8626      1.00000
     19     -17.5666      1.00000
     20     -17.5152      1.00000
     21     -17.0009      1.00000
     22     -16.9678      1.00000
     23     -16.9074      1.00000
     24     -16.8656      1.00000
     25     -15.8315      1.00000
     26     -15.6332      1.00000
     27     -15.5962      1.00000
     28     -15.5637      1.00000
     29     -14.9852      1.00000
     30     -14.3056      1.00000
     31     -14.2582      1.00000
     32     -14.0293      1.00000
     33     -13.7046      1.00000
     34     -13.6930      1.00000
     35     -13.5676      1.00000
     36     -13.5396      1.00000
     37     -13.3641      1.00000
     38     -13.3031      1.00000
     39     -13.0948      1.00000
     40     -12.3584      1.00000
     41     -11.9549      1.00000
     42     -11.8705      1.00000
     43     -11.8129      1.00000
     44     -11.7570      1.00000
     45     -11.4317      1.00000
     46     -11.3955      1.00000
     47     -10.9117      1.00000
     48     -10.8568      1.00000
     49     -10.5566      1.00000
     50     -10.4725      1.00000
     51     -10.1858      1.00000
     52      -9.9643      1.00000
     53      -9.9419      1.00000
     54      -9.9027      1.00000
     55      -9.7617      1.00000
     56      -9.7594      1.00000
     57      -9.7144      1.00000
     58      -9.5629      1.00000
     59      -9.5376      1.00000
     60      -9.5135      1.00000
     61      -9.4995      1.00000
     62      -9.2063      1.00000
     63      -9.1129      1.00000
     64      -8.8595      1.00000
     65      -8.8151      1.00000
     66      -8.7770      1.00000
     67      -8.6691      1.00000
     68      -8.6087      1.00000
     69      -8.4722      1.00000
     70      -8.4390      1.00000
     71      -8.3318      1.00000
     72      -8.2823      1.00000
     73      -8.2333      1.00000
     74      -8.2023      1.00000
     75      -8.1159      1.00000
     76      -7.9750      1.00000
     77      -7.8418      1.00000
     78      -7.7694      1.00000
     79      -7.6535      1.00000
     80      -7.5123      1.00000
     81      -7.3626      1.00000
     82      -7.2791      1.00000
     83      -6.7756      1.00000
     84      -6.6819      1.00000
     85      -6.6263      1.00000
     86      -6.5482      1.00000
     87      -6.3218      1.00000
     88      -6.2367      1.00000
     89      -6.1682      1.00000
     90      -5.9968      1.00000
     91      -5.7450      1.00000
     92      -5.5779      1.00000
     93      -5.5388      1.00000
     94      -5.3472      1.00000
     95      -5.1840      1.00000
     96      -5.0062      1.00000
     97      -4.9744      1.00000
     98      -4.9675      1.00000
     99      -4.5556      1.00000
    100      -4.1346      1.00000
    101      -4.0854      1.00000
    102      -3.9637      1.00000
    103      -3.6201      1.00000
    104      -3.5728      1.00000
    105      -2.9286      1.00000
    106      -2.4573      0.00000
    107      -2.0180      0.00000
    108      -0.9625      0.00000
    109      -0.9315      0.00000
    110      -0.9062      0.00000
    111      -0.8795      0.00000
    112      -0.2453      0.00000
    113      -0.2296      0.00000
    114      -0.0722      0.00000
    115      -0.0619      0.00000
    116       0.1949      0.00000
    117       0.2603      0.00000
    118       0.7394      0.00000
    119       0.8324      0.00000
    120       0.8889      0.00000
    121       1.0512      0.00000
    122       1.3016      0.00000
    123       1.5662      0.00000
    124       1.6669      0.00000
    125       1.7751      0.00000
    126       1.9586      0.00000
    127       2.0489      0.00000
    128       2.0967      0.00000
    129       2.1618      0.00000
    130       2.3119      0.00000
    131       2.3434      0.00000
    132       2.4887      0.00000
    133       2.5171      0.00000
    134       2.7264      0.00000
    135       2.7433      0.00000
    136       2.9594      0.00000
    137       2.9733      0.00000
    138       2.9965      0.00000
    139       3.0625      0.00000
    140       3.0999      0.00000
    141       3.1478      0.00000
    142       3.1679      0.00000
    143       3.1952      0.00000
    144       3.2626      0.00000
    145       3.4029      0.00000
    146       3.4221      0.00000
    147       3.4349      0.00000
    148       3.4573      0.00000
    149       3.5386      0.00000
    150       3.5982      0.00000
    151       3.6140      0.00000
    152       3.6442      0.00000
    153       3.6908      0.00000
    154       3.8317      0.00000
    155       3.9061      0.00000
    156       3.9429      0.00000
    157       4.0065      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0334      1.00000
      2     -21.6805      1.00000
      3     -21.6244      1.00000
      4     -21.1122      1.00000
      5     -21.0713      1.00000
      6     -20.5619      1.00000
      7     -20.5070      1.00000
      8     -20.3498      1.00000
      9     -19.8238      1.00000
     10     -19.7821      1.00000
     11     -19.4529      1.00000
     12     -19.4157      1.00000
     13     -18.7463      1.00000
     14     -18.7018      1.00000
     15     -18.3900      1.00000
     16     -18.3430      1.00000
     17     -18.1912      1.00000
     18     -17.4112      1.00000
     19     -17.3641      1.00000
     20     -17.3397      1.00000
     21     -17.3153      1.00000
     22     -16.8813      1.00000
     23     -16.8248      1.00000
     24     -16.7106      1.00000
     25     -15.7578      1.00000
     26     -15.6446      1.00000
     27     -15.3423      1.00000
     28     -15.3013      1.00000
     29     -15.0079      1.00000
     30     -14.6291      1.00000
     31     -14.5603      1.00000
     32     -14.3150      1.00000
     33     -14.2735      1.00000
     34     -13.9049      1.00000
     35     -13.8923      1.00000
     36     -12.9324      1.00000
     37     -12.8253      1.00000
     38     -12.7675      1.00000
     39     -12.7514      1.00000
     40     -12.4760      1.00000
     41     -12.4283      1.00000
     42     -12.0719      1.00000
     43     -12.0522      1.00000
     44     -11.3944      1.00000
     45     -11.3617      1.00000
     46     -11.2990      1.00000
     47     -10.6919      1.00000
     48     -10.6734      1.00000
     49     -10.4819      1.00000
     50     -10.3356      1.00000
     51     -10.3107      1.00000
     52     -10.2383      1.00000
     53     -10.2008      1.00000
     54     -10.1471      1.00000
     55     -10.0894      1.00000
     56      -9.8092      1.00000
     57      -9.6450      1.00000
     58      -9.3724      1.00000
     59      -9.2931      1.00000
     60      -9.2206      1.00000
     61      -9.1706      1.00000
     62      -9.1437      1.00000
     63      -9.1126      1.00000
     64      -9.0756      1.00000
     65      -9.0234      1.00000
     66      -8.9119      1.00000
     67      -8.8665      1.00000
     68      -8.8484      1.00000
     69      -8.6161      1.00000
     70      -8.6034      1.00000
     71      -8.4868      1.00000
     72      -8.3380      1.00000
     73      -8.2297      1.00000
     74      -7.9489      1.00000
     75      -7.9202      1.00000
     76      -7.7247      1.00000
     77      -7.6128      1.00000
     78      -7.5717      1.00000
     79      -7.5173      1.00000
     80      -7.4684      1.00000
     81      -7.4266      1.00000
     82      -7.2356      1.00000
     83      -7.1134      1.00000
     84      -6.7145      1.00000
     85      -6.6583      1.00000
     86      -6.5763      1.00000
     87      -6.3752      1.00000
     88      -6.1703      1.00000
     89      -6.1163      1.00000
     90      -6.0575      1.00000
     91      -5.9453      1.00000
     92      -5.8619      1.00000
     93      -5.5630      1.00000
     94      -5.3434      1.00000
     95      -5.1310      1.00000
     96      -4.9719      1.00000
     97      -4.8358      1.00000
     98      -4.5777      1.00000
     99      -4.4953      1.00000
    100      -4.1640      1.00000
    101      -4.0363      1.00000
    102      -3.9047      1.00000
    103      -3.6465      1.00000
    104      -3.5794      1.00000
    105      -3.2389      1.00000
    106      -2.2809      0.00000
    107      -1.8791      0.00000
    108      -1.0405      0.00000
    109      -0.9631      0.00000
    110      -0.9314      0.00000
    111      -0.6849      0.00000
    112      -0.6538      0.00000
    113      -0.5530      0.00000
    114      -0.5409      0.00000
    115       0.3420      0.00000
    116       0.4685      0.00000
    117       0.5200      0.00000
    118       0.8073      0.00000
    119       1.0742      0.00000
    120       1.1139      0.00000
    121       1.1712      0.00000
    122       1.3290      0.00000
    123       1.6037      0.00000
    124       1.6353      0.00000
    125       1.6973      0.00000
    126       1.8375      0.00000
    127       2.0193      0.00000
    128       2.0350      0.00000
    129       2.0526      0.00000
    130       2.2533      0.00000
    131       2.3105      0.00000
    132       2.3904      0.00000
    133       2.5119      0.00000
    134       2.5411      0.00000
    135       2.6853      0.00000
    136       2.7769      0.00000
    137       2.8088      0.00000
    138       2.8303      0.00000
    139       2.8702      0.00000
    140       3.0732      0.00000
    141       3.1088      0.00000
    142       3.1531      0.00000
    143       3.1689      0.00000
    144       3.2493      0.00000
    145       3.3059      0.00000
    146       3.4089      0.00000
    147       3.4638      0.00000
    148       3.5436      0.00000
    149       3.5757      0.00000
    150       3.7277      0.00000
    151       3.7562      0.00000
    152       3.8274      0.00000
    153       3.9411      0.00000
    154       3.9488      0.00000
    155       3.9804      0.00000
    156       3.9985      0.00000
    157       4.0756      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1073      1.00000
      2     -21.5492      1.00000
      3     -21.3626      1.00000
      4     -21.3381      1.00000
      5     -20.9962      1.00000
      6     -20.9652      1.00000
      7     -20.7860      1.00000
      8     -19.8929      1.00000
      9     -19.8591      1.00000
     10     -19.3490      1.00000
     11     -19.3190      1.00000
     12     -19.1434      1.00000
     13     -18.8338      1.00000
     14     -18.7934      1.00000
     15     -18.7727      1.00000
     16     -18.7621      1.00000
     17     -18.1027      1.00000
     18     -18.0792      1.00000
     19     -17.7459      1.00000
     20     -16.8033      1.00000
     21     -16.7589      1.00000
     22     -16.6936      1.00000
     23     -16.6746      1.00000
     24     -16.2303      1.00000
     25     -16.1961      1.00000
     26     -15.3484      1.00000
     27     -15.3265      1.00000
     28     -14.9739      1.00000
     29     -14.9627      1.00000
     30     -14.9415      1.00000
     31     -14.8495      1.00000
     32     -14.8026      1.00000
     33     -14.4431      1.00000
     34     -14.4216      1.00000
     35     -13.4779      1.00000
     36     -13.4495      1.00000
     37     -12.9813      1.00000
     38     -12.4129      1.00000
     39     -12.3163      1.00000
     40     -12.1939      1.00000
     41     -12.1807      1.00000
     42     -11.8485      1.00000
     43     -11.8303      1.00000
     44     -11.4593      1.00000
     45     -11.4138      1.00000
     46     -11.0551      1.00000
     47     -10.9637      1.00000
     48     -10.7649      1.00000
     49     -10.7411      1.00000
     50     -10.6668      1.00000
     51     -10.6251      1.00000
     52     -10.3342      1.00000
     53      -9.9803      1.00000
     54      -9.8895      1.00000
     55      -9.8319      1.00000
     56      -9.6621      1.00000
     57      -9.4376      1.00000
     58      -9.4331      1.00000
     59      -9.4004      1.00000
     60      -9.3723      1.00000
     61      -9.3039      1.00000
     62      -9.2614      1.00000
     63      -9.0762      1.00000
     64      -9.0381      1.00000
     65      -8.9917      1.00000
     66      -8.9789      1.00000
     67      -8.8675      1.00000
     68      -8.8605      1.00000
     69      -8.8459      1.00000
     70      -8.6811      1.00000
     71      -8.6131      1.00000
     72      -8.3397      1.00000
     73      -8.3357      1.00000
     74      -7.9117      1.00000
     75      -7.8074      1.00000
     76      -7.6499      1.00000
     77      -7.5643      1.00000
     78      -7.5336      1.00000
     79      -7.4875      1.00000
     80      -7.2334      1.00000
     81      -7.0587      1.00000
     82      -7.0383      1.00000
     83      -7.0019      1.00000
     84      -6.9617      1.00000
     85      -6.7482      1.00000
     86      -6.6419      1.00000
     87      -6.5128      1.00000
     88      -6.4537      1.00000
     89      -6.3713      1.00000
     90      -5.9464      1.00000
     91      -5.8671      1.00000
     92      -5.8406      1.00000
     93      -5.7122      1.00000
     94      -5.6722      1.00000
     95      -5.1334      1.00000
     96      -4.6955      1.00000
     97      -4.5880      1.00000
     98      -4.4267      1.00000
     99      -4.2393      1.00000
    100      -4.2198      1.00000
    101      -3.8943      1.00000
    102      -3.8571      1.00000
    103      -3.7651      1.00000
    104      -3.5135      1.00000
    105      -3.4688      1.00000
    106      -2.2808      0.00000
    107      -1.4946      0.00000
    108      -1.4373      0.00000
    109      -1.0834      0.00000
    110      -1.0565      0.00000
    111      -1.0450      0.00000
    112      -0.9527      0.00000
    113      -0.3383      0.00000
    114      -0.0057      0.00000
    115       0.0201      0.00000
    116       0.7431      0.00000
    117       0.8758      0.00000
    118       0.9185      0.00000
    119       1.1727      0.00000
    120       1.2939      0.00000
    121       1.3858      0.00000
    122       1.3895      0.00000
    123       1.4271      0.00000
    124       1.5376      0.00000
    125       1.7041      0.00000
    126       1.7587      0.00000
    127       1.9375      0.00000
    128       1.9674      0.00000
    129       2.1264      0.00000
    130       2.1378      0.00000
    131       2.3212      0.00000
    132       2.3277      0.00000
    133       2.3518      0.00000
    134       2.4399      0.00000
    135       2.5800      0.00000
    136       2.7353      0.00000
    137       2.7576      0.00000
    138       2.7722      0.00000
    139       2.8052      0.00000
    140       2.9233      0.00000
    141       2.9769      0.00000
    142       3.0710      0.00000
    143       3.1351      0.00000
    144       3.1729      0.00000
    145       3.2608      0.00000
    146       3.2793      0.00000
    147       3.4138      0.00000
    148       3.4468      0.00000
    149       3.5595      0.00000
    150       3.6422      0.00000
    151       3.6582      0.00000
    152       3.7703      0.00000
    153       3.9537      0.00000
    154       3.9559      0.00000
    155       4.0667      0.00000
    156       4.0807      0.00000
    157       4.1872      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9096      1.00000
      2     -21.8566      1.00000
      3     -21.6836      1.00000
      4     -21.1305      1.00000
      5     -20.7671      1.00000
      6     -20.7476      1.00000
      7     -20.2185      1.00000
      8     -20.1959      1.00000
      9     -20.0163      1.00000
     10     -20.0144      1.00000
     11     -19.6726      1.00000
     12     -19.6337      1.00000
     13     -18.6091      1.00000
     14     -18.5574      1.00000
     15     -18.0638      1.00000
     16     -18.0476      1.00000
     17     -17.8830      1.00000
     18     -17.8779      1.00000
     19     -17.5455      1.00000
     20     -17.5303      1.00000
     21     -17.0048      1.00000
     22     -16.9769      1.00000
     23     -16.8891      1.00000
     24     -16.8718      1.00000
     25     -15.8635      1.00000
     26     -15.6030      1.00000
     27     -15.5975      1.00000
     28     -15.5840      1.00000
     29     -14.9595      1.00000
     30     -14.2898      1.00000
     31     -14.2716      1.00000
     32     -14.0051      1.00000
     33     -13.7371      1.00000
     34     -13.6996      1.00000
     35     -13.5635      1.00000
     36     -13.5533      1.00000
     37     -13.3410      1.00000
     38     -13.3108      1.00000
     39     -13.0996      1.00000
     40     -12.3831      1.00000
     41     -11.9109      1.00000
     42     -11.8884      1.00000
     43     -11.7882      1.00000
     44     -11.7567      1.00000
     45     -11.4233      1.00000
     46     -11.4142      1.00000
     47     -10.9084      1.00000
     48     -10.8769      1.00000
     49     -10.5363      1.00000
     50     -10.4725      1.00000
     51     -10.2204      1.00000
     52      -9.9493      1.00000
     53      -9.9374      1.00000
     54      -9.9193      1.00000
     55      -9.7780      1.00000
     56      -9.7340      1.00000
     57      -9.7145      1.00000
     58      -9.5761      1.00000
     59      -9.5366      1.00000
     60      -9.5176      1.00000
     61      -9.5016      1.00000
     62      -9.2008      1.00000
     63      -9.1138      1.00000
     64      -8.8483      1.00000
     65      -8.8051      1.00000
     66      -8.7470      1.00000
     67      -8.7061      1.00000
     68      -8.5968      1.00000
     69      -8.4538      1.00000
     70      -8.4431      1.00000
     71      -8.3131      1.00000
     72      -8.2915      1.00000
     73      -8.2091      1.00000
     74      -8.2038      1.00000
     75      -8.0859      1.00000
     76      -8.0454      1.00000
     77      -7.8381      1.00000
     78      -7.8023      1.00000
     79      -7.6998      1.00000
     80      -7.4399      1.00000
     81      -7.3667      1.00000
     82      -7.2506      1.00000
     83      -6.8279      1.00000
     84      -6.7104      1.00000
     85      -6.6328      1.00000
     86      -6.3861      1.00000
     87      -6.3058      1.00000
     88      -6.2664      1.00000
     89      -6.2001      1.00000
     90      -6.1284      1.00000
     91      -5.7519      1.00000
     92      -5.5567      1.00000
     93      -5.5183      1.00000
     94      -5.3666      1.00000
     95      -5.1653      1.00000
     96      -4.9860      1.00000
     97      -4.9785      1.00000
     98      -4.9434      1.00000
     99      -4.5083      1.00000
    100      -4.1365      1.00000
    101      -4.0653      1.00000
    102      -3.9843      1.00000
    103      -3.6361      1.00000
    104      -3.5945      1.00000
    105      -3.0557      1.00000
    106      -2.2008      0.00000
    107      -2.1542      0.00000
    108      -0.9311      0.00000
    109      -0.9220      0.00000
    110      -0.9137      0.00000
    111      -0.9022      0.00000
    112      -0.2442      0.00000
    113      -0.2369      0.00000
    114      -0.0935      0.00000
    115      -0.0700      0.00000
    116       0.2311      0.00000
    117       0.2403      0.00000
    118       0.7187      0.00000
    119       0.8200      0.00000
    120       0.9482      0.00000
    121       1.0244      0.00000
    122       1.2805      0.00000
    123       1.5997      0.00000
    124       1.6413      0.00000
    125       1.7776      0.00000
    126       1.9635      0.00000
    127       2.0488      0.00000
    128       2.0853      0.00000
    129       2.1551      0.00000
    130       2.3192      0.00000
    131       2.3837      0.00000
    132       2.4886      0.00000
    133       2.5158      0.00000
    134       2.7209      0.00000
    135       2.8298      0.00000
    136       2.9227      0.00000
    137       2.9657      0.00000
    138       2.9964      0.00000
    139       3.0289      0.00000
    140       3.0988      0.00000
    141       3.1227      0.00000
    142       3.1885      0.00000
    143       3.1959      0.00000
    144       3.2800      0.00000
    145       3.3821      0.00000
    146       3.4127      0.00000
    147       3.4377      0.00000
    148       3.4761      0.00000
    149       3.5034      0.00000
    150       3.5988      0.00000
    151       3.6154      0.00000
    152       3.6397      0.00000
    153       3.6644      0.00000
    154       3.8332      0.00000
    155       3.9494      0.00000
    156       3.9560      0.00000
    157       4.0052      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9969      1.00000
      2     -21.8040      1.00000
      3     -21.4393      1.00000
      4     -21.4129      1.00000
      5     -20.7015      1.00000
      6     -20.6684      1.00000
      7     -20.3317      1.00000
      8     -20.3066      1.00000
      9     -20.2989      1.00000
     10     -19.7619      1.00000
     11     -19.2406      1.00000
     12     -19.2107      1.00000
     13     -19.0471      1.00000
     14     -19.0300      1.00000
     15     -18.1737      1.00000
     16     -18.1413      1.00000
     17     -17.6680      1.00000
     18     -17.6419      1.00000
     19     -17.4898      1.00000
     20     -17.4550      1.00000
     21     -17.1824      1.00000
     22     -17.1582      1.00000
     23     -17.0679      1.00000
     24     -16.2294      1.00000
     25     -16.1912      1.00000
     26     -15.7084      1.00000
     27     -15.1518      1.00000
     28     -15.1296      1.00000
     29     -14.8411      1.00000
     30     -14.8158      1.00000
     31     -14.5799      1.00000
     32     -14.5706      1.00000
     33     -14.0588      1.00000
     34     -13.9893      1.00000
     35     -13.2169      1.00000
     36     -13.1362      1.00000
     37     -12.9264      1.00000
     38     -12.8996      1.00000
     39     -12.7286      1.00000
     40     -12.7058      1.00000
     41     -12.3602      1.00000
     42     -12.3365      1.00000
     43     -11.9474      1.00000
     44     -11.3181      1.00000
     45     -11.2676      1.00000
     46     -11.0511      1.00000
     47     -11.0127      1.00000
     48     -10.9055      1.00000
     49     -10.5282      1.00000
     50     -10.4047      1.00000
     51     -10.2238      1.00000
     52     -10.0524      1.00000
     53     -10.0519      1.00000
     54      -9.9417      1.00000
     55      -9.8662      1.00000
     56      -9.8296      1.00000
     57      -9.5788      1.00000
     58      -9.4887      1.00000
     59      -9.4580      1.00000
     60      -9.4443      1.00000
     61      -9.4379      1.00000
     62      -9.3858      1.00000
     63      -9.1113      1.00000
     64      -9.0895      1.00000
     65      -9.0600      1.00000
     66      -8.7398      1.00000
     67      -8.7040      1.00000
     68      -8.6535      1.00000
     69      -8.5253      1.00000
     70      -8.3328      1.00000
     71      -8.2818      1.00000
     72      -8.1734      1.00000
     73      -8.1324      1.00000
     74      -8.0418      1.00000
     75      -8.0310      1.00000
     76      -7.9983      1.00000
     77      -7.9791      1.00000
     78      -7.9699      1.00000
     79      -7.5650      1.00000
     80      -7.3219      1.00000
     81      -7.0932      1.00000
     82      -7.0141      1.00000
     83      -6.9440      1.00000
     84      -6.8837      1.00000
     85      -6.7473      1.00000
     86      -6.6971      1.00000
     87      -6.3585      1.00000
     88      -6.3432      1.00000
     89      -6.2404      1.00000
     90      -6.0185      1.00000
     91      -5.6951      1.00000
     92      -5.6127      1.00000
     93      -5.4649      1.00000
     94      -5.3802      1.00000
     95      -5.0770      1.00000
     96      -5.0356      1.00000
     97      -4.9760      1.00000
     98      -4.9462      1.00000
     99      -4.2197      1.00000
    100      -4.2097      1.00000
    101      -4.0057      1.00000
    102      -3.8665      1.00000
    103      -3.6696      1.00000
    104      -3.5647      1.00000
    105      -3.4143      1.00000
    106      -2.2346      0.00000
    107      -1.5820      0.00000
    108      -1.5273      0.00000
    109      -0.8506      0.00000
    110      -0.7703      0.00000
    111      -0.7503      0.00000
    112      -0.4002      0.00000
    113      -0.3988      0.00000
    114      -0.3604      0.00000
    115      -0.3470      0.00000
    116       0.4157      0.00000
    117       0.4724      0.00000
    118       0.8149      0.00000
    119       1.1266      0.00000
    120       1.1447      0.00000
    121       1.3081      0.00000
    122       1.4916      0.00000
    123       1.5170      0.00000
    124       1.6867      0.00000
    125       1.7700      0.00000
    126       1.8268      0.00000
    127       1.8465      0.00000
    128       1.9888      0.00000
    129       2.0559      0.00000
    130       2.1408      0.00000
    131       2.2672      0.00000
    132       2.4758      0.00000
    133       2.5017      0.00000
    134       2.5869      0.00000
    135       2.6647      0.00000
    136       2.7015      0.00000
    137       2.7604      0.00000
    138       2.9025      0.00000
    139       2.9190      0.00000
    140       3.0325      0.00000
    141       3.1151      0.00000
    142       3.2178      0.00000
    143       3.2460      0.00000
    144       3.4094      0.00000
    145       3.4414      0.00000
    146       3.4625      0.00000
    147       3.5532      0.00000
    148       3.6113      0.00000
    149       3.6700      0.00000
    150       3.7019      0.00000
    151       3.7305      0.00000
    152       3.7771      0.00000
    153       3.8228      0.00000
    154       3.9136      0.00000
    155       3.9209      0.00000
    156       3.9814      0.00000
    157       3.9946      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.1445      1.00000
      2     -21.3031      1.00000
      3     -21.2015      1.00000
      4     -21.1892      1.00000
      5     -21.1881      1.00000
      6     -21.1684      1.00000
      7     -21.1677      1.00000
      8     -19.4475      1.00000
      9     -19.3675      1.00000
     10     -19.3649      1.00000
     11     -19.3555      1.00000
     12     -19.3357      1.00000
     13     -19.3331      1.00000
     14     -18.5418      1.00000
     15     -18.4792      1.00000
     16     -18.4748      1.00000
     17     -18.4475      1.00000
     18     -18.4456      1.00000
     19     -18.4351      1.00000
     20     -16.4092      1.00000
     21     -16.3256      1.00000
     22     -16.3197      1.00000
     23     -16.3125      1.00000
     24     -16.2981      1.00000
     25     -16.2965      1.00000
     26     -15.3803      1.00000
     27     -15.3357      1.00000
     28     -15.3023      1.00000
     29     -15.2987      1.00000
     30     -15.2932      1.00000
     31     -15.2819      1.00000
     32     -14.0324      1.00000
     33     -13.9954      1.00000
     34     -13.9704      1.00000
     35     -13.9659      1.00000
     36     -13.9536      1.00000
     37     -13.9419      1.00000
     38     -11.7547      1.00000
     39     -11.6399      1.00000
     40     -11.6010      1.00000
     41     -11.5910      1.00000
     42     -11.5891      1.00000
     43     -11.5857      1.00000
     44     -11.5011      1.00000
     45     -11.5008      1.00000
     46     -11.4806      1.00000
     47     -11.4610      1.00000
     48     -11.4570      1.00000
     49     -11.4550      1.00000
     50     -10.4096      1.00000
     51     -10.1509      1.00000
     52     -10.1313      1.00000
     53     -10.1098      1.00000
     54     -10.1077      1.00000
     55     -10.0911      1.00000
     56     -10.0630      1.00000
     57      -9.5580      1.00000
     58      -9.2099      1.00000
     59      -9.1654      1.00000
     60      -9.1250      1.00000
     61      -9.1058      1.00000
     62      -9.1042      1.00000
     63      -8.9286      1.00000
     64      -8.8531      1.00000
     65      -8.8513      1.00000
     66      -8.8389      1.00000
     67      -8.8309      1.00000
     68      -8.8057      1.00000
     69      -8.8036      1.00000
     70      -8.8003      1.00000
     71      -8.7966      1.00000
     72      -8.7799      1.00000
     73      -8.7588      1.00000
     74      -8.7559      1.00000
     75      -7.5281      1.00000
     76      -7.3223      1.00000
     77      -7.2623      1.00000
     78      -7.2276      1.00000
     79      -7.1777      1.00000
     80      -7.1729      1.00000
     81      -7.1494      1.00000
     82      -7.1477      1.00000
     83      -6.9964      1.00000
     84      -6.9897      1.00000
     85      -6.9882      1.00000
     86      -6.9779      1.00000
     87      -6.4118      1.00000
     88      -6.3766      1.00000
     89      -6.1638      1.00000
     90      -6.1314      1.00000
     91      -6.0980      1.00000
     92      -6.0954      1.00000
     93      -5.7230      1.00000
     94      -5.6788      1.00000
     95      -5.0820      1.00000
     96      -4.7009      1.00000
     97      -4.3182      1.00000
     98      -4.2634      1.00000
     99      -4.1378      1.00000
    100      -4.1325      1.00000
    101      -4.0537      1.00000
    102      -3.9286      1.00000
    103      -3.5974      1.00000
    104      -3.5091      1.00000
    105      -3.4910      1.00000
    106      -2.3377      0.00000
    107      -1.3497      0.00000
    108      -1.3269      0.00000
    109      -1.3200      0.00000
    110      -1.3184      0.00000
    111      -1.2424      0.00000
    112      -1.2007      0.00000
    113       0.3385      0.00000
    114       0.4253      0.00000
    115       0.4738      0.00000
    116       0.5046      0.00000
    117       0.5224      0.00000
    118       0.5226      0.00000
    119       0.7494      0.00000
    120       1.3471      0.00000
    121       1.3779      0.00000
    122       1.3882      0.00000
    123       1.6660      0.00000
    124       1.8788      0.00000
    125       1.8886      0.00000
    126       1.9003      0.00000
    127       2.0776      0.00000
    128       2.1184      0.00000
    129       2.2224      0.00000
    130       2.2267      0.00000
    131       2.2325      0.00000
    132       2.2398      0.00000
    133       2.2610      0.00000
    134       2.3728      0.00000
    135       2.4538      0.00000
    136       2.5058      0.00000
    137       2.6224      0.00000
    138       2.6406      0.00000
    139       2.6745      0.00000
    140       2.8422      0.00000
    141       2.9275      0.00000
    142       2.9303      0.00000
    143       3.0080      0.00000
    144       3.0167      0.00000
    145       3.0377      0.00000
    146       3.0490      0.00000
    147       3.4388      0.00000
    148       3.4785      0.00000
    149       3.6079      0.00000
    150       3.8917      0.00000
    151       3.9157      0.00000
    152       3.9342      0.00000
    153       3.9438      0.00000
    154       3.9793      0.00000
    155       4.0326      0.00000
    156       4.0692      0.00000
    157       4.2233      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.1074      1.00000
      2     -21.5474      1.00000
      3     -21.3677      1.00000
      4     -21.3352      1.00000
      5     -20.9973      1.00000
      6     -20.9618      1.00000
      7     -20.7882      1.00000
      8     -19.8953      1.00000
      9     -19.8568      1.00000
     10     -19.3470      1.00000
     11     -19.3156      1.00000
     12     -19.1502      1.00000
     13     -18.8262      1.00000
     14     -18.7899      1.00000
     15     -18.7781      1.00000
     16     -18.7651      1.00000
     17     -18.1018      1.00000
     18     -18.0753      1.00000
     19     -17.7547      1.00000
     20     -16.8158      1.00000
     21     -16.7598      1.00000
     22     -16.6892      1.00000
     23     -16.6707      1.00000
     24     -16.2132      1.00000
     25     -16.1894      1.00000
     26     -15.3631      1.00000
     27     -15.3319      1.00000
     28     -15.0101      1.00000
     29     -14.9686      1.00000
     30     -14.9098      1.00000
     31     -14.8318      1.00000
     32     -14.8029      1.00000
     33     -14.4433      1.00000
     34     -14.4248      1.00000
     35     -13.4806      1.00000
     36     -13.4550      1.00000
     37     -12.9771      1.00000
     38     -12.3733      1.00000
     39     -12.3195      1.00000
     40     -12.1939      1.00000
     41     -12.1755      1.00000
     42     -11.8833      1.00000
     43     -11.8439      1.00000
     44     -11.4730      1.00000
     45     -11.4169      1.00000
     46     -11.0067      1.00000
     47     -10.9657      1.00000
     48     -10.7804      1.00000
     49     -10.7441      1.00000
     50     -10.6819      1.00000
     51     -10.6370      1.00000
     52     -10.3060      1.00000
     53      -9.9001      1.00000
     54      -9.8986      1.00000
     55      -9.8520      1.00000
     56      -9.6913      1.00000
     57      -9.4777      1.00000
     58      -9.4431      1.00000
     59      -9.3826      1.00000
     60      -9.3553      1.00000
     61      -9.3162      1.00000
     62      -9.2668      1.00000
     63      -9.0621      1.00000
     64      -9.0462      1.00000
     65      -9.0017      1.00000
     66      -8.9516      1.00000
     67      -8.8869      1.00000
     68      -8.8524      1.00000
     69      -8.8403      1.00000
     70      -8.6816      1.00000
     71      -8.6147      1.00000
     72      -8.3720      1.00000
     73      -8.3400      1.00000
     74      -7.8577      1.00000
     75      -7.8161      1.00000
     76      -7.6395      1.00000
     77      -7.6039      1.00000
     78      -7.5041      1.00000
     79      -7.4968      1.00000
     80      -7.1524      1.00000
     81      -7.1311      1.00000
     82      -7.0947      1.00000
     83      -7.0518      1.00000
     84      -6.8597      1.00000
     85      -6.7676      1.00000
     86      -6.6317      1.00000
     87      -6.5386      1.00000
     88      -6.4273      1.00000
     89      -6.3694      1.00000
     90      -5.9169      1.00000
     91      -5.8924      1.00000
     92      -5.8735      1.00000
     93      -5.7557      1.00000
     94      -5.5442      1.00000
     95      -5.1397      1.00000
     96      -4.8144      1.00000
     97      -4.5250      1.00000
     98      -4.4348      1.00000
     99      -4.2569      1.00000
    100      -4.1742      1.00000
    101      -4.0545      1.00000
    102      -3.8894      1.00000
    103      -3.5666      1.00000
    104      -3.4920      1.00000
    105      -3.4636      1.00000
    106      -2.3533      0.00000
    107      -1.4926      0.00000
    108      -1.4279      0.00000
    109      -1.0673      0.00000
    110      -1.0495      0.00000
    111      -1.0190      0.00000
    112      -0.9861      0.00000
    113      -0.3644      0.00000
    114       0.0102      0.00000
    115       0.0384      0.00000
    116       0.7621      0.00000
    117       0.8570      0.00000
    118       0.9485      0.00000
    119       1.1036      0.00000
    120       1.2895      0.00000
    121       1.3446      0.00000
    122       1.4363      0.00000
    123       1.4685      0.00000
    124       1.5359      0.00000
    125       1.7028      0.00000
    126       1.7617      0.00000
    127       1.9499      0.00000
    128       1.9625      0.00000
    129       2.0806      0.00000
    130       2.1555      0.00000
    131       2.3182      0.00000
    132       2.3231      0.00000
    133       2.3451      0.00000
    134       2.4450      0.00000
    135       2.5729      0.00000
    136       2.7284      0.00000
    137       2.7624      0.00000
    138       2.7733      0.00000
    139       2.8239      0.00000
    140       2.9624      0.00000
    141       2.9766      0.00000
    142       3.0567      0.00000
    143       3.1059      0.00000
    144       3.1286      0.00000
    145       3.2709      0.00000
    146       3.2896      0.00000
    147       3.4312      0.00000
    148       3.4805      0.00000
    149       3.5515      0.00000
    150       3.6280      0.00000
    151       3.6622      0.00000
    152       3.7785      0.00000
    153       3.9410      0.00000
    154       3.9986      0.00000
    155       4.0645      0.00000
    156       4.0752      0.00000
    157       4.1301      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9981      1.00000
      2     -21.8016      1.00000
      3     -21.4435      1.00000
      4     -21.4098      1.00000
      5     -20.7041      1.00000
      6     -20.6656      1.00000
      7     -20.3422      1.00000
      8     -20.3035      1.00000
      9     -20.2926      1.00000
     10     -19.7625      1.00000
     11     -19.2430      1.00000
     12     -19.2084      1.00000
     13     -19.0448      1.00000
     14     -19.0241      1.00000
     15     -18.1837      1.00000
     16     -18.1402      1.00000
     17     -17.6693      1.00000
     18     -17.6373      1.00000
     19     -17.4953      1.00000
     20     -17.4560      1.00000
     21     -17.1807      1.00000
     22     -17.1557      1.00000
     23     -17.0796      1.00000
     24     -16.2084      1.00000
     25     -16.1860      1.00000
     26     -15.6919      1.00000
     27     -15.1633      1.00000
     28     -15.1344      1.00000
     29     -14.8457      1.00000
     30     -14.8200      1.00000
     31     -14.6135      1.00000
     32     -14.5785      1.00000
     33     -14.0288      1.00000
     34     -13.9912      1.00000
     35     -13.1865      1.00000
     36     -13.1391      1.00000
     37     -12.9358      1.00000
     38     -12.9067      1.00000
     39     -12.7122      1.00000
     40     -12.6971      1.00000
     41     -12.3756      1.00000
     42     -12.3451      1.00000
     43     -11.9449      1.00000
     44     -11.3408      1.00000
     45     -11.2735      1.00000
     46     -11.0715      1.00000
     47     -11.0206      1.00000
     48     -10.8947      1.00000
     49     -10.4548      1.00000
     50     -10.4048      1.00000
     51     -10.2271      1.00000
     52     -10.0607      1.00000
     53     -10.0510      1.00000
     54      -9.9331      1.00000
     55      -9.8571      1.00000
     56      -9.8483      1.00000
     57      -9.5552      1.00000
     58      -9.5178      1.00000
     59      -9.4696      1.00000
     60      -9.4397      1.00000
     61      -9.4231      1.00000
     62      -9.3872      1.00000
     63      -9.1073      1.00000
     64      -9.0924      1.00000
     65      -9.0580      1.00000
     66      -8.7957      1.00000
     67      -8.7051      1.00000
     68      -8.6187      1.00000
     69      -8.5460      1.00000
     70      -8.3516      1.00000
     71      -8.2713      1.00000
     72      -8.1411      1.00000
     73      -8.1260      1.00000
     74      -8.0826      1.00000
     75      -8.0237      1.00000
     76      -8.0034      1.00000
     77      -7.9953      1.00000
     78      -7.9723      1.00000
     79      -7.5417      1.00000
     80      -7.1460      1.00000
     81      -7.1091      1.00000
     82      -7.0928      1.00000
     83      -6.9996      1.00000
     84      -6.9647      1.00000
     85      -6.7316      1.00000
     86      -6.7249      1.00000
     87      -6.3798      1.00000
     88      -6.3134      1.00000
     89      -6.0536      1.00000
     90      -5.9931      1.00000
     91      -5.8146      1.00000
     92      -5.5970      1.00000
     93      -5.4681      1.00000
     94      -5.2960      1.00000
     95      -5.1339      1.00000
     96      -5.0651      1.00000
     97      -4.9705      1.00000
     98      -4.9679      1.00000
     99      -4.3826      1.00000
    100      -4.1408      1.00000
    101      -4.0902      1.00000
    102      -3.8381      1.00000
    103      -3.6086      1.00000
    104      -3.4142      1.00000
    105      -3.3892      1.00000
    106      -2.3678      0.00000
    107      -1.5879      0.00000
    108      -1.4934      0.00000
    109      -0.8802      0.00000
    110      -0.7578      0.00000
    111      -0.7411      0.00000
    112      -0.3958      0.00000
    113      -0.3771      0.00000
    114      -0.3622      0.00000
    115      -0.3457      0.00000
    116       0.4089      0.00000
    117       0.4755      0.00000
    118       0.8208      0.00000
    119       1.1177      0.00000
    120       1.1439      0.00000
    121       1.3782      0.00000
    122       1.4877      0.00000
    123       1.5184      0.00000
    124       1.6655      0.00000
    125       1.7865      0.00000
    126       1.8108      0.00000
    127       1.8402      0.00000
    128       1.9427      0.00000
    129       2.1120      0.00000
    130       2.1319      0.00000
    131       2.1814      0.00000
    132       2.4518      0.00000
    133       2.4896      0.00000
    134       2.6039      0.00000
    135       2.6660      0.00000
    136       2.7059      0.00000
    137       2.7562      0.00000
    138       2.8984      0.00000
    139       2.9534      0.00000
    140       3.0367      0.00000
    141       3.1229      0.00000
    142       3.2287      0.00000
    143       3.2444      0.00000
    144       3.4336      0.00000
    145       3.4453      0.00000
    146       3.4682      0.00000
    147       3.5205      0.00000
    148       3.5970      0.00000
    149       3.6724      0.00000
    150       3.6932      0.00000
    151       3.7283      0.00000
    152       3.7858      0.00000
    153       3.8436      0.00000
    154       3.9143      0.00000
    155       3.9172      0.00000
    156       3.9915      0.00000
    157       4.0369      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0339      1.00000
      2     -21.6734      1.00000
      3     -21.6314      1.00000
      4     -21.1019      1.00000
      5     -21.0815      1.00000
      6     -20.5556      1.00000
      7     -20.5140      1.00000
      8     -20.3511      1.00000
      9     -19.8015      1.00000
     10     -19.8008      1.00000
     11     -19.4456      1.00000
     12     -19.4258      1.00000
     13     -18.7235      1.00000
     14     -18.7218      1.00000
     15     -18.3704      1.00000
     16     -18.3592      1.00000
     17     -18.1924      1.00000
     18     -17.4230      1.00000
     19     -17.3615      1.00000
     20     -17.3462      1.00000
     21     -17.3244      1.00000
     22     -16.8549      1.00000
     23     -16.8409      1.00000
     24     -16.6934      1.00000
     25     -15.7294      1.00000
     26     -15.6765      1.00000
     27     -15.3210      1.00000
     28     -15.3073      1.00000
     29     -15.0433      1.00000
     30     -14.5975      1.00000
     31     -14.5651      1.00000
     32     -14.3197      1.00000
     33     -14.2833      1.00000
     34     -13.9046      1.00000
     35     -13.9021      1.00000
     36     -12.8805      1.00000
     37     -12.8229      1.00000
     38     -12.7865      1.00000
     39     -12.7635      1.00000
     40     -12.4529      1.00000
     41     -12.4496      1.00000
     42     -12.0670      1.00000
     43     -12.0497      1.00000
     44     -11.4235      1.00000
     45     -11.3765      1.00000
     46     -11.3095      1.00000
     47     -10.7139      1.00000
     48     -10.6614      1.00000
     49     -10.4015      1.00000
     50     -10.3753      1.00000
     51     -10.2471      1.00000
     52     -10.2407      1.00000
     53     -10.1863      1.00000
     54     -10.1808      1.00000
     55     -10.0918      1.00000
     56      -9.8132      1.00000
     57      -9.6498      1.00000
     58      -9.3558      1.00000
     59      -9.2972      1.00000
     60      -9.2603      1.00000
     61      -9.1514      1.00000
     62      -9.1352      1.00000
     63      -9.1144      1.00000
     64      -9.0719      1.00000
     65      -9.0370      1.00000
     66      -8.9342      1.00000
     67      -8.8991      1.00000
     68      -8.8520      1.00000
     69      -8.6094      1.00000
     70      -8.5977      1.00000
     71      -8.4752      1.00000
     72      -8.3494      1.00000
     73      -8.1960      1.00000
     74      -7.9577      1.00000
     75      -7.9173      1.00000
     76      -7.6797      1.00000
     77      -7.6083      1.00000
     78      -7.5711      1.00000
     79      -7.5707      1.00000
     80      -7.4589      1.00000
     81      -7.4463      1.00000
     82      -7.2060      1.00000
     83      -7.1459      1.00000
     84      -6.6831      1.00000
     85      -6.6560      1.00000
     86      -6.5624      1.00000
     87      -6.4267      1.00000
     88      -6.1887      1.00000
     89      -6.1171      1.00000
     90      -6.0599      1.00000
     91      -5.9677      1.00000
     92      -5.7986      1.00000
     93      -5.4207      1.00000
     94      -5.2395      1.00000
     95      -5.2036      1.00000
     96      -5.1148      1.00000
     97      -4.9711      1.00000
     98      -4.5191      1.00000
     99      -4.4611      1.00000
    100      -4.1330      1.00000
    101      -4.0929      1.00000
    102      -3.9718      1.00000
    103      -3.5987      1.00000
    104      -3.5445      1.00000
    105      -3.1012      1.00000
    106      -2.4580      0.00000
    107      -1.8274      0.00000
    108      -1.0203      0.00000
    109      -0.9633      0.00000
    110      -0.9317      0.00000
    111      -0.6827      0.00000
    112      -0.6794      0.00000
    113      -0.5459      0.00000
    114      -0.5453      0.00000
    115       0.4297      0.00000
    116       0.4389      0.00000
    117       0.5306      0.00000
    118       0.7922      0.00000
    119       1.0128      0.00000
    120       1.0886      0.00000
    121       1.2482      0.00000
    122       1.2829      0.00000
    123       1.6077      0.00000
    124       1.6568      0.00000
    125       1.6971      0.00000
    126       1.8348      0.00000
    127       2.0222      0.00000
    128       2.0383      0.00000
    129       2.0569      0.00000
    130       2.2450      0.00000
    131       2.2734      0.00000
    132       2.3808      0.00000
    133       2.5242      0.00000
    134       2.5670      0.00000
    135       2.6797      0.00000
    136       2.7661      0.00000
    137       2.8018      0.00000
    138       2.8487      0.00000
    139       2.8561      0.00000
    140       3.1021      0.00000
    141       3.1146      0.00000
    142       3.1545      0.00000
    143       3.1652      0.00000
    144       3.2420      0.00000
    145       3.2966      0.00000
    146       3.3994      0.00000
    147       3.4404      0.00000
    148       3.5573      0.00000
    149       3.5938      0.00000
    150       3.7162      0.00000
    151       3.7546      0.00000
    152       3.8413      0.00000
    153       3.9263      0.00000
    154       3.9525      0.00000
    155       3.9795      0.00000
    156       3.9977      0.00000
    157       4.0980      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9144      1.00000
      2     -21.8499      1.00000
      3     -21.6856      1.00000
      4     -21.1298      1.00000
      5     -20.7782      1.00000
      6     -20.7370      1.00000
      7     -20.2296      1.00000
      8     -20.1842      1.00000
      9     -20.0315      1.00000
     10     -20.0001      1.00000
     11     -19.6799      1.00000
     12     -19.6261      1.00000
     13     -18.6089      1.00000
     14     -18.5490      1.00000
     15     -18.0954      1.00000
     16     -18.0295      1.00000
     17     -17.8935      1.00000
     18     -17.8626      1.00000
     19     -17.5666      1.00000
     20     -17.5152      1.00000
     21     -17.0009      1.00000
     22     -16.9678      1.00000
     23     -16.9074      1.00000
     24     -16.8656      1.00000
     25     -15.8315      1.00000
     26     -15.6332      1.00000
     27     -15.5962      1.00000
     28     -15.5637      1.00000
     29     -14.9852      1.00000
     30     -14.3056      1.00000
     31     -14.2582      1.00000
     32     -14.0293      1.00000
     33     -13.7046      1.00000
     34     -13.6930      1.00000
     35     -13.5676      1.00000
     36     -13.5396      1.00000
     37     -13.3641      1.00000
     38     -13.3031      1.00000
     39     -13.0948      1.00000
     40     -12.3584      1.00000
     41     -11.9549      1.00000
     42     -11.8705      1.00000
     43     -11.8129      1.00000
     44     -11.7570      1.00000
     45     -11.4317      1.00000
     46     -11.3955      1.00000
     47     -10.9117      1.00000
     48     -10.8568      1.00000
     49     -10.5566      1.00000
     50     -10.4725      1.00000
     51     -10.1858      1.00000
     52      -9.9643      1.00000
     53      -9.9419      1.00000
     54      -9.9027      1.00000
     55      -9.7617      1.00000
     56      -9.7594      1.00000
     57      -9.7144      1.00000
     58      -9.5629      1.00000
     59      -9.5376      1.00000
     60      -9.5135      1.00000
     61      -9.4995      1.00000
     62      -9.2063      1.00000
     63      -9.1129      1.00000
     64      -8.8595      1.00000
     65      -8.8151      1.00000
     66      -8.7770      1.00000
     67      -8.6691      1.00000
     68      -8.6087      1.00000
     69      -8.4722      1.00000
     70      -8.4390      1.00000
     71      -8.3318      1.00000
     72      -8.2823      1.00000
     73      -8.2333      1.00000
     74      -8.2023      1.00000
     75      -8.1159      1.00000
     76      -7.9750      1.00000
     77      -7.8418      1.00000
     78      -7.7694      1.00000
     79      -7.6535      1.00000
     80      -7.5123      1.00000
     81      -7.3626      1.00000
     82      -7.2791      1.00000
     83      -6.7756      1.00000
     84      -6.6819      1.00000
     85      -6.6263      1.00000
     86      -6.5482      1.00000
     87      -6.3218      1.00000
     88      -6.2367      1.00000
     89      -6.1682      1.00000
     90      -5.9968      1.00000
     91      -5.7450      1.00000
     92      -5.5779      1.00000
     93      -5.5388      1.00000
     94      -5.3472      1.00000
     95      -5.1840      1.00000
     96      -5.0062      1.00000
     97      -4.9744      1.00000
     98      -4.9675      1.00000
     99      -4.5556      1.00000
    100      -4.1346      1.00000
    101      -4.0854      1.00000
    102      -3.9637      1.00000
    103      -3.6201      1.00000
    104      -3.5728      1.00000
    105      -2.9286      1.00000
    106      -2.4573      0.00000
    107      -2.0180      0.00000
    108      -0.9625      0.00000
    109      -0.9315      0.00000
    110      -0.9062      0.00000
    111      -0.8795      0.00000
    112      -0.2453      0.00000
    113      -0.2296      0.00000
    114      -0.0722      0.00000
    115      -0.0619      0.00000
    116       0.1949      0.00000
    117       0.2603      0.00000
    118       0.7394      0.00000
    119       0.8324      0.00000
    120       0.8889      0.00000
    121       1.0512      0.00000
    122       1.3016      0.00000
    123       1.5662      0.00000
    124       1.6669      0.00000
    125       1.7751      0.00000
    126       1.9585      0.00000
    127       2.0489      0.00000
    128       2.0967      0.00000
    129       2.1618      0.00000
    130       2.3118      0.00000
    131       2.3434      0.00000
    132       2.4887      0.00000
    133       2.5171      0.00000
    134       2.7264      0.00000
    135       2.7433      0.00000
    136       2.9594      0.00000
    137       2.9733      0.00000
    138       2.9965      0.00000
    139       3.0625      0.00000
    140       3.0998      0.00000
    141       3.1478      0.00000
    142       3.1679      0.00000
    143       3.1952      0.00000
    144       3.2626      0.00000
    145       3.4029      0.00000
    146       3.4221      0.00000
    147       3.4349      0.00000
    148       3.4573      0.00000
    149       3.5386      0.00000
    150       3.5981      0.00000
    151       3.6139      0.00000
    152       3.6441      0.00000
    153       3.6908      0.00000
    154       3.8317      0.00000
    155       3.9061      0.00000
    156       3.9429      0.00000
    157       4.0065      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0334      1.00000
      2     -21.6805      1.00000
      3     -21.6244      1.00000
      4     -21.1122      1.00000
      5     -21.0713      1.00000
      6     -20.5619      1.00000
      7     -20.5070      1.00000
      8     -20.3498      1.00000
      9     -19.8238      1.00000
     10     -19.7821      1.00000
     11     -19.4529      1.00000
     12     -19.4157      1.00000
     13     -18.7463      1.00000
     14     -18.7018      1.00000
     15     -18.3900      1.00000
     16     -18.3430      1.00000
     17     -18.1912      1.00000
     18     -17.4112      1.00000
     19     -17.3641      1.00000
     20     -17.3397      1.00000
     21     -17.3153      1.00000
     22     -16.8813      1.00000
     23     -16.8248      1.00000
     24     -16.7106      1.00000
     25     -15.7578      1.00000
     26     -15.6446      1.00000
     27     -15.3423      1.00000
     28     -15.3013      1.00000
     29     -15.0079      1.00000
     30     -14.6291      1.00000
     31     -14.5603      1.00000
     32     -14.3150      1.00000
     33     -14.2735      1.00000
     34     -13.9049      1.00000
     35     -13.8923      1.00000
     36     -12.9324      1.00000
     37     -12.8253      1.00000
     38     -12.7675      1.00000
     39     -12.7514      1.00000
     40     -12.4760      1.00000
     41     -12.4283      1.00000
     42     -12.0719      1.00000
     43     -12.0522      1.00000
     44     -11.3944      1.00000
     45     -11.3617      1.00000
     46     -11.2990      1.00000
     47     -10.6919      1.00000
     48     -10.6734      1.00000
     49     -10.4819      1.00000
     50     -10.3356      1.00000
     51     -10.3107      1.00000
     52     -10.2383      1.00000
     53     -10.2008      1.00000
     54     -10.1471      1.00000
     55     -10.0894      1.00000
     56      -9.8092      1.00000
     57      -9.6450      1.00000
     58      -9.3724      1.00000
     59      -9.2931      1.00000
     60      -9.2206      1.00000
     61      -9.1706      1.00000
     62      -9.1437      1.00000
     63      -9.1126      1.00000
     64      -9.0756      1.00000
     65      -9.0234      1.00000
     66      -8.9119      1.00000
     67      -8.8665      1.00000
     68      -8.8484      1.00000
     69      -8.6161      1.00000
     70      -8.6034      1.00000
     71      -8.4868      1.00000
     72      -8.3380      1.00000
     73      -8.2297      1.00000
     74      -7.9489      1.00000
     75      -7.9202      1.00000
     76      -7.7247      1.00000
     77      -7.6128      1.00000
     78      -7.5717      1.00000
     79      -7.5173      1.00000
     80      -7.4684      1.00000
     81      -7.4266      1.00000
     82      -7.2356      1.00000
     83      -7.1134      1.00000
     84      -6.7145      1.00000
     85      -6.6583      1.00000
     86      -6.5763      1.00000
     87      -6.3752      1.00000
     88      -6.1703      1.00000
     89      -6.1163      1.00000
     90      -6.0575      1.00000
     91      -5.9453      1.00000
     92      -5.8619      1.00000
     93      -5.5630      1.00000
     94      -5.3434      1.00000
     95      -5.1310      1.00000
     96      -4.9719      1.00000
     97      -4.8358      1.00000
     98      -4.5777      1.00000
     99      -4.4953      1.00000
    100      -4.1640      1.00000
    101      -4.0363      1.00000
    102      -3.9047      1.00000
    103      -3.6465      1.00000
    104      -3.5794      1.00000
    105      -3.2389      1.00000
    106      -2.2809      0.00000
    107      -1.8791      0.00000
    108      -1.0405      0.00000
    109      -0.9631      0.00000
    110      -0.9314      0.00000
    111      -0.6849      0.00000
    112      -0.6538      0.00000
    113      -0.5530      0.00000
    114      -0.5409      0.00000
    115       0.3420      0.00000
    116       0.4685      0.00000
    117       0.5200      0.00000
    118       0.8073      0.00000
    119       1.0742      0.00000
    120       1.1139      0.00000
    121       1.1712      0.00000
    122       1.3290      0.00000
    123       1.6037      0.00000
    124       1.6353      0.00000
    125       1.6973      0.00000
    126       1.8375      0.00000
    127       2.0193      0.00000
    128       2.0350      0.00000
    129       2.0526      0.00000
    130       2.2533      0.00000
    131       2.3105      0.00000
    132       2.3903      0.00000
    133       2.5119      0.00000
    134       2.5411      0.00000
    135       2.6853      0.00000
    136       2.7769      0.00000
    137       2.8088      0.00000
    138       2.8303      0.00000
    139       2.8702      0.00000
    140       3.0732      0.00000
    141       3.1087      0.00000
    142       3.1531      0.00000
    143       3.1689      0.00000
    144       3.2493      0.00000
    145       3.3059      0.00000
    146       3.4089      0.00000
    147       3.4638      0.00000
    148       3.5436      0.00000
    149       3.5757      0.00000
    150       3.7277      0.00000
    151       3.7562      0.00000
    152       3.8273      0.00000
    153       3.9411      0.00000
    154       3.9488      0.00000
    155       3.9804      0.00000
    156       3.9984      0.00000
    157       4.0756      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1073      1.00000
      2     -21.5492      1.00000
      3     -21.3626      1.00000
      4     -21.3381      1.00000
      5     -20.9962      1.00000
      6     -20.9652      1.00000
      7     -20.7860      1.00000
      8     -19.8929      1.00000
      9     -19.8591      1.00000
     10     -19.3490      1.00000
     11     -19.3190      1.00000
     12     -19.1434      1.00000
     13     -18.8338      1.00000
     14     -18.7934      1.00000
     15     -18.7727      1.00000
     16     -18.7621      1.00000
     17     -18.1027      1.00000
     18     -18.0792      1.00000
     19     -17.7459      1.00000
     20     -16.8033      1.00000
     21     -16.7589      1.00000
     22     -16.6936      1.00000
     23     -16.6746      1.00000
     24     -16.2303      1.00000
     25     -16.1961      1.00000
     26     -15.3484      1.00000
     27     -15.3265      1.00000
     28     -14.9739      1.00000
     29     -14.9627      1.00000
     30     -14.9415      1.00000
     31     -14.8495      1.00000
     32     -14.8026      1.00000
     33     -14.4431      1.00000
     34     -14.4216      1.00000
     35     -13.4779      1.00000
     36     -13.4495      1.00000
     37     -12.9813      1.00000
     38     -12.4129      1.00000
     39     -12.3163      1.00000
     40     -12.1939      1.00000
     41     -12.1807      1.00000
     42     -11.8485      1.00000
     43     -11.8303      1.00000
     44     -11.4593      1.00000
     45     -11.4138      1.00000
     46     -11.0551      1.00000
     47     -10.9637      1.00000
     48     -10.7649      1.00000
     49     -10.7411      1.00000
     50     -10.6668      1.00000
     51     -10.6251      1.00000
     52     -10.3342      1.00000
     53      -9.9803      1.00000
     54      -9.8895      1.00000
     55      -9.8319      1.00000
     56      -9.6621      1.00000
     57      -9.4376      1.00000
     58      -9.4331      1.00000
     59      -9.4004      1.00000
     60      -9.3723      1.00000
     61      -9.3039      1.00000
     62      -9.2614      1.00000
     63      -9.0762      1.00000
     64      -9.0381      1.00000
     65      -8.9917      1.00000
     66      -8.9789      1.00000
     67      -8.8675      1.00000
     68      -8.8605      1.00000
     69      -8.8459      1.00000
     70      -8.6811      1.00000
     71      -8.6131      1.00000
     72      -8.3397      1.00000
     73      -8.3357      1.00000
     74      -7.9117      1.00000
     75      -7.8074      1.00000
     76      -7.6499      1.00000
     77      -7.5643      1.00000
     78      -7.5336      1.00000
     79      -7.4875      1.00000
     80      -7.2334      1.00000
     81      -7.0587      1.00000
     82      -7.0383      1.00000
     83      -7.0019      1.00000
     84      -6.9617      1.00000
     85      -6.7482      1.00000
     86      -6.6419      1.00000
     87      -6.5128      1.00000
     88      -6.4537      1.00000
     89      -6.3713      1.00000
     90      -5.9464      1.00000
     91      -5.8671      1.00000
     92      -5.8406      1.00000
     93      -5.7122      1.00000
     94      -5.6722      1.00000
     95      -5.1334      1.00000
     96      -4.6955      1.00000
     97      -4.5880      1.00000
     98      -4.4267      1.00000
     99      -4.2393      1.00000
    100      -4.2198      1.00000
    101      -3.8943      1.00000
    102      -3.8571      1.00000
    103      -3.7651      1.00000
    104      -3.5135      1.00000
    105      -3.4688      1.00000
    106      -2.2808      0.00000
    107      -1.4946      0.00000
    108      -1.4373      0.00000
    109      -1.0834      0.00000
    110      -1.0565      0.00000
    111      -1.0450      0.00000
    112      -0.9527      0.00000
    113      -0.3383      0.00000
    114      -0.0057      0.00000
    115       0.0201      0.00000
    116       0.7431      0.00000
    117       0.8758      0.00000
    118       0.9185      0.00000
    119       1.1727      0.00000
    120       1.2939      0.00000
    121       1.3858      0.00000
    122       1.3895      0.00000
    123       1.4271      0.00000
    124       1.5376      0.00000
    125       1.7040      0.00000
    126       1.7587      0.00000
    127       1.9375      0.00000
    128       1.9674      0.00000
    129       2.1264      0.00000
    130       2.1378      0.00000
    131       2.3212      0.00000
    132       2.3277      0.00000
    133       2.3518      0.00000
    134       2.4398      0.00000
    135       2.5800      0.00000
    136       2.7353      0.00000
    137       2.7576      0.00000
    138       2.7722      0.00000
    139       2.8052      0.00000
    140       2.9232      0.00000
    141       2.9768      0.00000
    142       3.0710      0.00000
    143       3.1351      0.00000
    144       3.1729      0.00000
    145       3.2608      0.00000
    146       3.2793      0.00000
    147       3.4138      0.00000
    148       3.4468      0.00000
    149       3.5594      0.00000
    150       3.6422      0.00000
    151       3.6581      0.00000
    152       3.7703      0.00000
    153       3.9537      0.00000
    154       3.9559      0.00000
    155       4.0667      0.00000
    156       4.0806      0.00000
    157       4.2039      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9096      1.00000
      2     -21.8566      1.00000
      3     -21.6836      1.00000
      4     -21.1305      1.00000
      5     -20.7671      1.00000
      6     -20.7476      1.00000
      7     -20.2185      1.00000
      8     -20.1959      1.00000
      9     -20.0163      1.00000
     10     -20.0144      1.00000
     11     -19.6726      1.00000
     12     -19.6337      1.00000
     13     -18.6091      1.00000
     14     -18.5574      1.00000
     15     -18.0638      1.00000
     16     -18.0476      1.00000
     17     -17.8830      1.00000
     18     -17.8779      1.00000
     19     -17.5455      1.00000
     20     -17.5303      1.00000
     21     -17.0048      1.00000
     22     -16.9769      1.00000
     23     -16.8891      1.00000
     24     -16.8718      1.00000
     25     -15.8635      1.00000
     26     -15.6030      1.00000
     27     -15.5975      1.00000
     28     -15.5840      1.00000
     29     -14.9595      1.00000
     30     -14.2898      1.00000
     31     -14.2716      1.00000
     32     -14.0051      1.00000
     33     -13.7371      1.00000
     34     -13.6996      1.00000
     35     -13.5635      1.00000
     36     -13.5533      1.00000
     37     -13.3410      1.00000
     38     -13.3108      1.00000
     39     -13.0996      1.00000
     40     -12.3831      1.00000
     41     -11.9109      1.00000
     42     -11.8884      1.00000
     43     -11.7882      1.00000
     44     -11.7567      1.00000
     45     -11.4233      1.00000
     46     -11.4142      1.00000
     47     -10.9084      1.00000
     48     -10.8769      1.00000
     49     -10.5363      1.00000
     50     -10.4725      1.00000
     51     -10.2204      1.00000
     52      -9.9493      1.00000
     53      -9.9374      1.00000
     54      -9.9193      1.00000
     55      -9.7780      1.00000
     56      -9.7340      1.00000
     57      -9.7145      1.00000
     58      -9.5761      1.00000
     59      -9.5366      1.00000
     60      -9.5176      1.00000
     61      -9.5016      1.00000
     62      -9.2008      1.00000
     63      -9.1138      1.00000
     64      -8.8483      1.00000
     65      -8.8051      1.00000
     66      -8.7470      1.00000
     67      -8.7061      1.00000
     68      -8.5968      1.00000
     69      -8.4538      1.00000
     70      -8.4431      1.00000
     71      -8.3131      1.00000
     72      -8.2915      1.00000
     73      -8.2091      1.00000
     74      -8.2038      1.00000
     75      -8.0859      1.00000
     76      -8.0454      1.00000
     77      -7.8381      1.00000
     78      -7.8023      1.00000
     79      -7.6998      1.00000
     80      -7.4399      1.00000
     81      -7.3667      1.00000
     82      -7.2506      1.00000
     83      -6.8279      1.00000
     84      -6.7104      1.00000
     85      -6.6328      1.00000
     86      -6.3861      1.00000
     87      -6.3058      1.00000
     88      -6.2664      1.00000
     89      -6.2001      1.00000
     90      -6.1284      1.00000
     91      -5.7519      1.00000
     92      -5.5567      1.00000
     93      -5.5183      1.00000
     94      -5.3666      1.00000
     95      -5.1653      1.00000
     96      -4.9860      1.00000
     97      -4.9785      1.00000
     98      -4.9434      1.00000
     99      -4.5083      1.00000
    100      -4.1365      1.00000
    101      -4.0653      1.00000
    102      -3.9843      1.00000
    103      -3.6361      1.00000
    104      -3.5945      1.00000
    105      -3.0557      1.00000
    106      -2.2008      0.00000
    107      -2.1542      0.00000
    108      -0.9311      0.00000
    109      -0.9220      0.00000
    110      -0.9137      0.00000
    111      -0.9022      0.00000
    112      -0.2442      0.00000
    113      -0.2369      0.00000
    114      -0.0935      0.00000
    115      -0.0700      0.00000
    116       0.2311      0.00000
    117       0.2403      0.00000
    118       0.7187      0.00000
    119       0.8200      0.00000
    120       0.9482      0.00000
    121       1.0244      0.00000
    122       1.2805      0.00000
    123       1.5997      0.00000
    124       1.6413      0.00000
    125       1.7776      0.00000
    126       1.9634      0.00000
    127       2.0487      0.00000
    128       2.0853      0.00000
    129       2.1551      0.00000
    130       2.3191      0.00000
    131       2.3838      0.00000
    132       2.4886      0.00000
    133       2.5158      0.00000
    134       2.7209      0.00000
    135       2.8298      0.00000
    136       2.9227      0.00000
    137       2.9657      0.00000
    138       2.9964      0.00000
    139       3.0289      0.00000
    140       3.0987      0.00000
    141       3.1227      0.00000
    142       3.1884      0.00000
    143       3.1959      0.00000
    144       3.2800      0.00000
    145       3.3821      0.00000
    146       3.4126      0.00000
    147       3.4377      0.00000
    148       3.4761      0.00000
    149       3.5034      0.00000
    150       3.5988      0.00000
    151       3.6153      0.00000
    152       3.6397      0.00000
    153       3.6643      0.00000
    154       3.8332      0.00000
    155       3.9501      0.00000
    156       3.9560      0.00000
    157       4.0176      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9969      1.00000
      2     -21.8040      1.00000
      3     -21.4393      1.00000
      4     -21.4129      1.00000
      5     -20.7015      1.00000
      6     -20.6684      1.00000
      7     -20.3317      1.00000
      8     -20.3066      1.00000
      9     -20.2989      1.00000
     10     -19.7619      1.00000
     11     -19.2406      1.00000
     12     -19.2107      1.00000
     13     -19.0471      1.00000
     14     -19.0300      1.00000
     15     -18.1737      1.00000
     16     -18.1413      1.00000
     17     -17.6680      1.00000
     18     -17.6419      1.00000
     19     -17.4898      1.00000
     20     -17.4550      1.00000
     21     -17.1824      1.00000
     22     -17.1582      1.00000
     23     -17.0679      1.00000
     24     -16.2294      1.00000
     25     -16.1912      1.00000
     26     -15.7084      1.00000
     27     -15.1518      1.00000
     28     -15.1296      1.00000
     29     -14.8411      1.00000
     30     -14.8158      1.00000
     31     -14.5799      1.00000
     32     -14.5706      1.00000
     33     -14.0588      1.00000
     34     -13.9893      1.00000
     35     -13.2169      1.00000
     36     -13.1362      1.00000
     37     -12.9264      1.00000
     38     -12.8996      1.00000
     39     -12.7286      1.00000
     40     -12.7058      1.00000
     41     -12.3602      1.00000
     42     -12.3365      1.00000
     43     -11.9474      1.00000
     44     -11.3181      1.00000
     45     -11.2676      1.00000
     46     -11.0511      1.00000
     47     -11.0127      1.00000
     48     -10.9055      1.00000
     49     -10.5282      1.00000
     50     -10.4047      1.00000
     51     -10.2238      1.00000
     52     -10.0524      1.00000
     53     -10.0519      1.00000
     54      -9.9417      1.00000
     55      -9.8662      1.00000
     56      -9.8296      1.00000
     57      -9.5788      1.00000
     58      -9.4887      1.00000
     59      -9.4580      1.00000
     60      -9.4443      1.00000
     61      -9.4379      1.00000
     62      -9.3858      1.00000
     63      -9.1113      1.00000
     64      -9.0895      1.00000
     65      -9.0600      1.00000
     66      -8.7398      1.00000
     67      -8.7040      1.00000
     68      -8.6535      1.00000
     69      -8.5253      1.00000
     70      -8.3328      1.00000
     71      -8.2818      1.00000
     72      -8.1734      1.00000
     73      -8.1324      1.00000
     74      -8.0418      1.00000
     75      -8.0310      1.00000
     76      -7.9983      1.00000
     77      -7.9791      1.00000
     78      -7.9699      1.00000
     79      -7.5650      1.00000
     80      -7.3219      1.00000
     81      -7.0932      1.00000
     82      -7.0141      1.00000
     83      -6.9440      1.00000
     84      -6.8837      1.00000
     85      -6.7473      1.00000
     86      -6.6971      1.00000
     87      -6.3585      1.00000
     88      -6.3432      1.00000
     89      -6.2404      1.00000
     90      -6.0185      1.00000
     91      -5.6951      1.00000
     92      -5.6127      1.00000
     93      -5.4649      1.00000
     94      -5.3802      1.00000
     95      -5.0770      1.00000
     96      -5.0356      1.00000
     97      -4.9760      1.00000
     98      -4.9462      1.00000
     99      -4.2197      1.00000
    100      -4.2097      1.00000
    101      -4.0057      1.00000
    102      -3.8665      1.00000
    103      -3.6696      1.00000
    104      -3.5647      1.00000
    105      -3.4143      1.00000
    106      -2.2346      0.00000
    107      -1.5820      0.00000
    108      -1.5273      0.00000
    109      -0.8506      0.00000
    110      -0.7703      0.00000
    111      -0.7503      0.00000
    112      -0.4002      0.00000
    113      -0.3988      0.00000
    114      -0.3604      0.00000
    115      -0.3470      0.00000
    116       0.4157      0.00000
    117       0.4724      0.00000
    118       0.8149      0.00000
    119       1.1266      0.00000
    120       1.1447      0.00000
    121       1.3081      0.00000
    122       1.4916      0.00000
    123       1.5170      0.00000
    124       1.6867      0.00000
    125       1.7700      0.00000
    126       1.8267      0.00000
    127       1.8465      0.00000
    128       1.9888      0.00000
    129       2.0559      0.00000
    130       2.1407      0.00000
    131       2.2672      0.00000
    132       2.4758      0.00000
    133       2.5017      0.00000
    134       2.5869      0.00000
    135       2.6646      0.00000
    136       2.7014      0.00000
    137       2.7603      0.00000
    138       2.9025      0.00000
    139       2.9190      0.00000
    140       3.0325      0.00000
    141       3.1151      0.00000
    142       3.2178      0.00000
    143       3.2460      0.00000
    144       3.4094      0.00000
    145       3.4414      0.00000
    146       3.4625      0.00000
    147       3.5532      0.00000
    148       3.6113      0.00000
    149       3.6700      0.00000
    150       3.7018      0.00000
    151       3.7304      0.00000
    152       3.7771      0.00000
    153       3.8228      0.00000
    154       3.9136      0.00000
    155       3.9209      0.00000
    156       3.9814      0.00000
    157       3.9946      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   201.9333   -5.4102    2.9938   -0.8965   -0.1690   17.4759    0.2911   -0.5575    0.5508   -0.3593
x    -3.1416   -0.0291   -0.0382    0.0123    0.0420   -2.9985   -0.0155   -0.0036    0.0039    0.0014
x    -0.0956   -0.0030    0.0036   -0.0029    0.0018   -0.0239    0.0000    0.0000   -0.0002    0.0002
x    -0.0036   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   201.9333    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0035    0.0001    0.0017    0.0004    0.0005   -0.0955   -0.0296    0.0661   -0.0266
y     0.1044   -3.1649   -0.3996    0.0268   -1.2389   -0.4614
z   201.9333    1.0072   -0.0118    0.0009    0.0260    0.0792   -0.0029   -0.0003    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0835    0.0054   -0.0005    0.0003    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0010   -0.0002   -0.0002   -0.0001
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.3438
z    -0.4444    0.1646    0.0416    0.1375   -0.0892   -0.0010
 total charge-density along one line
x   210.0000   -8.3413    5.0148   -1.7404   -0.4164   19.4475   -0.9312    0.5351   -0.2048    0.0365
x    -2.7281   -0.0136   -0.0238    0.0180    0.0116   -2.2549   -0.0212   -0.0016    0.0040    0.0015
x    -0.0860   -0.0025    0.0040   -0.0041    0.0030   -0.0365    0.0000    0.0001   -0.0002    0.0001
x    -0.0057    0.0000   -0.0001    0.0001    0.0000    0.0012    0.0001    0.0000   -0.0001    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   210.0000   -8.3413    5.0148   -1.7404   -0.4164   19.4475   -0.9312    0.5351   -0.2048    0.0365
y    -2.7281   -0.0136   -0.0238    0.0180    0.0116   -2.2549   -0.0212   -0.0016    0.0040    0.0015
y    -0.0860   -0.0025    0.0040   -0.0041    0.0030   -0.0365    0.0000    0.0001   -0.0002    0.0001
y    -0.0057    0.0000   -0.0001    0.0001    0.0000    0.0012    0.0001    0.0000   -0.0001    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   210.0000 -204.7488  190.8041 -172.4496  153.9322 -137.4603  122.8752 -108.7891   94.0801  -78.7336
z    63.7246  -50.3031   39.2852  -30.7609   24.2584  -19.1304   14.8807  -11.2790    8.2864   -5.9121
z     4.1149   -2.7896    1.8109   -1.0790    0.5358   -0.1498   -0.1059    0.2641   -0.3586    0.4138
z    -0.4401    0.4392   -0.4130    0.3688   -0.3180    0.2709   -0.2320    0.1999   -0.1711    0.1434
z    -0.1171    0.0944   -0.0766    0.0634   -0.0532    0.0445   -0.0367    0.0302   -0.0252    0.0215
z    -0.0185    0.0156   -0.0128    0.0103   -0.0084    0.0069   -0.0056    0.0043   -0.0031    0.0021
z    -0.0014    0.0009   -0.0005    0.0001    0.0002   -0.0004    0.0005   -0.0004    0.0004   -0.0004
z     0.0004   -0.0003    0.0002    0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0002    0.0002
z    -0.0002    0.0002   -0.0001    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000   -0.0001
z     0.0001    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.763   0.000  -0.011   0.000   0.001   0.173   0.000   0.002
  0.000 -10.957   0.000   0.049   0.000   0.000   0.197   0.000
 -0.011   0.000 -11.077   0.000   0.006   0.002   0.000   0.212
  0.000   0.049   0.000 -11.013   0.000   0.000  -0.006   0.000
  0.001   0.000   0.006   0.000 -10.761   0.000   0.000  -0.001
  0.173   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.197   0.000  -0.006   0.000   0.000   0.176   0.000
  0.002   0.000   0.212   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.006   0.000   0.204   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.173   0.000   0.000   0.000
 -0.020   0.000   0.093   0.000   0.012   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.029   0.000  -0.001   0.000   0.000  -0.004   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.031   0.000   0.000   0.000   0.000
  0.000  -0.022   0.000   0.000   0.000   0.000   0.003   0.000
  0.000   0.000  -0.022   0.000   0.000   0.000   0.000   0.003
  0.000   0.000   0.000  -0.023   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.763   0.000  -0.011   0.000   0.001   0.173   0.000   0.002
  0.000 -10.957   0.000   0.049   0.000   0.000   0.197   0.000
 -0.011   0.000 -11.077   0.000   0.006   0.002   0.000   0.212
  0.000   0.049   0.000 -11.013   0.000   0.000  -0.006   0.000
  0.001   0.000   0.006   0.000 -10.761   0.000   0.000  -0.001
  0.173   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.197   0.000  -0.006   0.000   0.000   0.176   0.000
  0.002   0.000   0.212   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.006   0.000   0.204   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.173   0.000   0.000   0.000
 -0.020   0.000   0.093   0.000   0.012   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.029   0.000  -0.001   0.000   0.000  -0.004   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.031   0.000   0.000   0.000   0.000
  0.000  -0.022   0.000   0.000   0.000   0.000   0.003   0.000
  0.000   0.000  -0.022   0.000   0.000   0.000   0.000   0.003
  0.000   0.000   0.000  -0.023   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.937   0.000   0.063   0.000   0.004   0.097   0.000  -0.030   0.000  -0.009   0.095  -0.014   0.000   0.037   0.000   0.000
  0.000   1.880   0.000   0.110   0.000   0.000   0.216   0.000  -0.090   0.000   0.000   0.000   0.004   0.000   0.024   0.033
  0.063   0.000   1.727   0.000  -0.037  -0.015   0.000   0.306   0.000   0.008  -0.338   0.069   0.000  -0.089   0.000   0.000
  0.000   0.110   0.000   1.764   0.000   0.000  -0.090   0.000   0.315   0.000   0.000   0.000   0.025   0.000  -0.020  -0.001
  0.004   0.000  -0.037   0.000   1.944  -0.009   0.000   0.016   0.000   0.085  -0.086   0.004   0.000  -0.028   0.000   0.000
  0.097   0.000  -0.015   0.000  -0.009   0.035   0.000  -0.044   0.000   0.004  -0.080   0.032   0.000   0.026   0.000   0.000
  0.000   0.216   0.000  -0.090   0.000   0.000   0.157   0.000  -0.086   0.000   0.000   0.000  -0.050   0.000   0.029   0.006
 -0.030   0.000   0.306   0.000   0.016  -0.044   0.000   0.534   0.000   0.026   0.458  -0.287   0.000  -0.220   0.000   0.000
  0.000  -0.090   0.000   0.315   0.000   0.000  -0.086   0.000   0.258   0.000   0.000   0.000   0.029   0.000  -0.084  -0.003
 -0.009   0.000   0.008   0.000   0.085   0.004   0.000   0.026   0.000   0.041   0.053  -0.018   0.000  -0.014   0.000   0.000
  0.095   0.000  -0.338   0.000  -0.086  -0.080   0.000   0.458   0.000   0.053   0.943  -0.353   0.000  -0.218   0.000   0.000
 -0.014   0.000   0.069   0.000   0.004   0.032   0.000  -0.287   0.000  -0.018  -0.353   0.240   0.000   0.141   0.000   0.000
  0.000   0.004   0.000   0.025   0.000   0.000  -0.050   0.000   0.029   0.000   0.000   0.000   0.021   0.000  -0.011  -0.001
  0.037   0.000  -0.089   0.000  -0.028   0.026   0.000  -0.220   0.000  -0.014  -0.218   0.141   0.000   0.102   0.000   0.000
  0.000   0.024   0.000  -0.020   0.000   0.000   0.029   0.000  -0.084   0.000   0.000   0.000  -0.011   0.000   0.035   0.001
  0.000   0.033   0.000  -0.001   0.000   0.000   0.006   0.000  -0.003   0.000   0.000   0.000  -0.001   0.000   0.001   0.001
 -0.002   0.000   0.036   0.000   0.001  -0.002   0.000   0.022   0.000   0.001   0.009  -0.011   0.000  -0.009   0.000   0.000
  0.000  -0.001   0.000   0.035   0.000   0.000  -0.003   0.000   0.010   0.000   0.000   0.000   0.001   0.000  -0.002   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.453   0.117   8.190   8.761
  2        0.863   1.781   0.000   2.644
  3        0.863   1.781   0.000   2.644
  4        0.863   1.782   0.000   2.645
  5        0.864   1.785   0.000   2.649
  6        0.864   1.783   0.000   2.646
  7        0.864   1.782   0.000   2.646
  8        0.863   1.782   0.000   2.645
  9        0.863   1.780   0.000   2.643
 10        0.863   1.786   0.000   2.649
 11        0.864   1.782   0.000   2.645
 12        0.864   1.784   0.000   2.648
 13        0.864   1.784   0.000   2.648
 14        0.864   1.774   0.000   2.638
 15        0.849   1.752   0.000   2.601
 16        0.863   1.786   0.000   2.649
 17        0.863   1.782   0.000   2.646
 18        0.863   1.782   0.000   2.645
 19        0.862   1.781   0.000   2.643
 20        0.864   1.771   0.000   2.635
 21        0.863   1.780   0.000   2.643
 22        0.863   1.782   0.000   2.645
 23        0.863   1.782   0.000   2.645
 24        0.863   1.782   0.000   2.645
 25        0.864   1.784   0.000   2.648
 26        0.863   1.782   0.000   2.645
 27        0.863   1.782   0.000   2.645
 28        0.863   1.782   0.000   2.645
 29        0.864   1.784   0.000   2.648
 30        0.863   1.782   0.000   2.645
 31        0.863   1.782   0.000   2.645
 32        0.863   1.782   0.000   2.646
 33        0.863   1.780   0.000   2.643
 34        0.864   1.771   0.000   2.635
 35        0.862   1.781   0.000   2.643
 36        0.863   1.782   0.000   2.645
 37        0.864   1.784   0.000   2.648
 38        0.863   1.786   0.000   2.649
 39        0.849   1.752   0.000   2.601
 40        0.864   1.774   0.000   2.638
 41        0.864   1.784   0.000   2.648
 42        0.864   1.782   0.000   2.646
 43        0.864   1.782   0.000   2.645
 44        0.863   1.786   0.000   2.649
 45        0.863   1.780   0.000   2.643
 46        0.863   1.782   0.000   2.645
 47        0.863   1.781   0.000   2.644
 48        0.864   1.783   0.000   2.646
 49        0.864   1.785   0.000   2.649
 50        0.863   1.782   0.000   2.645
 51        0.863   1.781   0.000   2.644
------------------------------------------------
tot       43.596  89.136   8.190 140.922
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


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


    CHARGE:  VPU time   90.15: CPU time   45.38
    FORLOC:  VPU time    0.99: CPU time    0.98
    FORNL :  VPU time  361.11: CPU time  201.84
    STRESS:  VPU time 1075.68: CPU time  540.57
    FORCOR:  VPU time    7.45: CPU time    7.45
    FORHAR:  VPU time    1.88: CPU time    1.88
    MIXING:  VPU time    0.12: CPU time    0.12
 d Force = 0.2230872E-06[-0.625E-05, 0.669E-05]  d Energy =-0.3449453E-04 0.347E-04
 d Force =-0.3071427E-01[-0.307E-01,-0.307E-01]  d Ewald  =-0.5987593E+00 0.568E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -463.179924 eV

  energy  without entropy=     -463.179924  energy(sigma->0) =     -463.179924
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     92.66     92.66     92.66
  Ewald    40652.26  40622.30 -47392.77    -25.95      0.00      0.00
  Hartree  40136.16  40122.94 -39451.95    -11.45      0.00      0.00
  E(xc)     -773.67   -773.80   -801.37     -0.11      0.00      0.00
  Local   -83064.85 -83026.43  84176.14     33.28      0.00      0.00
  n-local   -218.63   -215.33   -211.03      1.68      0.00      0.00
  augment     20.96     21.42     18.80      0.40      0.00      0.00
  Kinetic   3151.17   3159.86   3569.33     -0.15      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.10     -0.21     -0.20     -0.10      0.00      0.00
  in kB       -0.06     -0.13     -0.12     -0.06      0.00      0.00
  external pressure =       -0.10 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.351277872  0.001344677  0.000000000     0.080958195  0.046729554  0.000000000
    -6.174481057 10.697188341  0.000000000    -0.000010177  0.093476634  0.000000000
     0.000000000  0.000000000 19.965313892     0.000000000  0.000000000  0.050086866

  length of vectors
    12.351277945 12.351277453 19.965313892     0.093476631  0.093476635  0.050086866


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.851E-05 -.405E-04 -.112E+04   0.597E-05 -.295E-04 0.112E+04   0.103E-20 -.106E-21 0.491E+01   -.433E-07 0.236E-07 0.288E-02
   -.166E+01 0.958E+00 0.208E+02   0.166E+01 -.957E+00 -.208E+02   0.294E-02 -.169E-02 0.202E-01   -.529E-03 0.303E-03 0.576E-03
   0.517E+01 0.603E+01 0.234E+02   -.516E+01 -.605E+01 -.234E+02   -.929E-02 0.197E-01 -.382E-02   -.929E-03 0.257E-03 0.399E-03
   0.100E+02 0.523E+01 0.189E+02   -.100E+02 -.524E+01 -.189E+02   -.164E-02 0.162E-01 -.577E-01   -.119E-02 0.622E-03 0.189E-03
   0.397E+01 -.119E+01 0.176E+02   -.399E+01 0.122E+01 -.176E+02   0.155E-01 -.204E-01 0.321E-01   -.880E-03 0.557E-03 0.230E-03
   -.230E+01 -.244E+01 0.163E+02   0.231E+01 0.245E+01 -.164E+02   -.158E-01 -.993E-02 0.272E-01   -.519E-03 0.243E-03 0.454E-03
   0.960E+00 0.321E+01 0.163E+02   -.962E+00 -.323E+01 -.164E+02   0.724E-03 0.186E-01 0.272E-01   -.474E-03 0.323E-03 0.449E-03
   0.304E+01 0.167E+02 0.265E+02   -.306E+01 -.168E+02 -.265E+02   0.149E-01 0.412E-01 0.447E-01   -.379E-03 -.260E-04 0.563E-04
   0.192E+02 0.227E+02 0.355E+02   -.192E+02 -.229E+02 -.354E+02   0.394E-01 0.158E+00 -.132E+00   -.135E-02 0.701E-03 -.584E-03
   0.254E+02 -.525E+01 0.217E+02   -.256E+02 0.535E+01 -.217E+02   0.179E+00 -.104E+00 0.634E-01   -.916E-03 0.664E-03 -.482E-03
   0.886E+01 -.512E+01 0.146E+02   -.884E+01 0.510E+01 -.147E+02   -.256E-01 0.148E-01 0.458E-01   -.649E-03 0.370E-03 0.208E-03
   0.302E+01 -.284E+01 0.176E+02   -.305E+01 0.285E+01 -.176E+02   0.254E-01 -.324E-02 0.321E-01   -.924E-03 0.480E-03 0.220E-03
   -.551E+01 0.120E+02 0.199E+02   0.550E+01 -.120E+02 -.200E+02   0.927E-02 0.415E-01 0.332E-01   -.519E-03 0.414E-03 0.439E-04
   -.119E+02 0.326E+02 0.319E+02   0.118E+02 -.331E+02 -.325E+02   0.218E-01 0.464E+00 0.536E+00   0.264E-03 -.599E-03 -.128E-02
   0.343E+02 -.198E+02 0.347E+02   -.355E+02 0.205E+02 -.374E+02   0.129E+01 -.743E+00 0.275E+01   -.201E-02 0.116E-02 -.266E-02
   0.173E+02 -.194E+02 0.217E+02   -.174E+02 0.195E+02 -.217E+02   0.179E+00 -.103E+00 0.634E-01   -.104E-02 0.455E-03 -.487E-03
   0.482E+00 -.113E+02 0.189E+02   -.467E+00 0.113E+02 -.189E+02   -.149E-01 -.669E-02 -.577E-01   -.113E-02 0.720E-03 0.183E-03
   -.352E+01 0.105E+01 0.145E+02   0.353E+01 -.106E+01 -.145E+02   -.931E-02 0.866E-02 -.466E-01   -.874E-03 0.615E-03 0.334E-03
   -.162E+02 0.936E+01 0.156E+02   0.162E+02 -.938E+01 -.154E+02   -.292E-01 0.169E-01 -.156E+00   -.360E-03 0.211E-03 -.207E-03
   -.342E+02 -.604E+01 0.319E+02   0.345E+02 0.629E+01 -.325E+02   -.391E+00 -.251E+00 0.536E+00   0.653E-03 0.697E-04 -.128E-02
   -.101E+02 -.280E+02 0.355E+02   0.102E+02 0.281E+02 -.354E+02   -.118E+00 -.113E+00 -.132E+00   -.128E-02 0.818E-03 -.586E-03
   -.264E+01 -.749E+01 0.234E+02   0.266E+01 0.749E+01 -.234E+02   -.217E-01 -.178E-02 -.382E-02   -.686E-03 0.674E-03 0.398E-03
   0.782E+00 -.452E+00 0.166E+02   -.776E+00 0.448E+00 -.166E+02   -.633E-02 0.366E-02 -.356E-01   -.104E-02 0.600E-03 0.589E-03
   -.267E+01 0.252E+01 0.145E+02   0.268E+01 -.253E+01 -.145E+02   -.122E-01 0.373E-02 -.466E-01   -.968E-03 0.452E-03 0.339E-03
   -.131E+02 -.121E+01 0.199E+02   0.131E+02 0.124E+01 -.200E+02   -.313E-01 -.288E-01 0.332E-01   -.617E-03 0.241E-03 0.530E-04
   -.130E+02 -.110E+02 0.265E+02   0.130E+02 0.110E+02 -.265E+02   -.282E-01 -.335E-01 0.447E-01   -.166E-03 0.336E-03 0.597E-04
   0.264E+01 0.749E+01 0.234E+02   -.266E+01 -.749E+01 -.234E+02   0.217E-01 0.178E-02 -.382E-02   0.686E-03 -.674E-03 0.398E-03
   0.130E+02 0.110E+02 0.265E+02   -.130E+02 -.110E+02 -.265E+02   0.282E-01 0.335E-01 0.447E-01   0.166E-03 -.336E-03 0.597E-04
   0.131E+02 0.121E+01 0.199E+02   -.131E+02 -.124E+01 -.200E+02   0.313E-01 0.288E-01 0.332E-01   0.617E-03 -.241E-03 0.530E-04
   0.267E+01 -.252E+01 0.145E+02   -.268E+01 0.253E+01 -.145E+02   0.122E-01 -.373E-02 -.466E-01   0.968E-03 -.452E-03 0.339E-03
   -.782E+00 0.452E+00 0.166E+02   0.776E+00 -.448E+00 -.166E+02   0.633E-02 -.366E-02 -.356E-01   0.104E-02 -.600E-03 0.589E-03
   -.482E+00 0.113E+02 0.189E+02   0.467E+00 -.113E+02 -.189E+02   0.149E-01 0.669E-02 -.577E-01   0.113E-02 -.720E-03 0.183E-03
   0.101E+02 0.280E+02 0.355E+02   -.102E+02 -.281E+02 -.354E+02   0.118E+00 0.113E+00 -.132E+00   0.128E-02 -.818E-03 -.586E-03
   0.342E+02 0.604E+01 0.319E+02   -.345E+02 -.629E+01 -.325E+02   0.391E+00 0.251E+00 0.536E+00   -.653E-03 -.697E-04 -.128E-02
   0.162E+02 -.936E+01 0.156E+02   -.162E+02 0.938E+01 -.154E+02   0.292E-01 -.169E-01 -.156E+00   0.360E-03 -.210E-03 -.207E-03
   0.352E+01 -.105E+01 0.145E+02   -.353E+01 0.106E+01 -.145E+02   0.931E-02 -.866E-02 -.466E-01   0.874E-03 -.615E-03 0.334E-03
   -.302E+01 0.284E+01 0.176E+02   0.305E+01 -.285E+01 -.176E+02   -.254E-01 0.324E-02 0.321E-01   0.924E-03 -.480E-03 0.220E-03
   -.173E+02 0.194E+02 0.217E+02   0.174E+02 -.195E+02 -.217E+02   -.179E+00 0.103E+00 0.634E-01   0.104E-02 -.455E-03 -.487E-03
   -.343E+02 0.198E+02 0.347E+02   0.355E+02 -.205E+02 -.374E+02   -.129E+01 0.743E+00 0.275E+01   0.201E-02 -.116E-02 -.266E-02
   0.119E+02 -.326E+02 0.319E+02   -.118E+02 0.331E+02 -.325E+02   -.218E-01 -.464E+00 0.536E+00   -.264E-03 0.599E-03 -.128E-02
   0.551E+01 -.120E+02 0.199E+02   -.550E+01 0.120E+02 -.200E+02   -.927E-02 -.415E-01 0.332E-01   0.519E-03 -.414E-03 0.439E-04
   -.960E+00 -.321E+01 0.163E+02   0.962E+00 0.323E+01 -.164E+02   -.724E-03 -.186E-01 0.272E-01   0.474E-03 -.323E-03 0.449E-03
   -.886E+01 0.512E+01 0.146E+02   0.884E+01 -.510E+01 -.147E+02   0.256E-01 -.148E-01 0.458E-01   0.649E-03 -.370E-03 0.208E-03
   -.254E+02 0.525E+01 0.217E+02   0.256E+02 -.535E+01 -.217E+02   -.179E+00 0.104E+00 0.634E-01   0.916E-03 -.664E-03 -.482E-03
   -.192E+02 -.227E+02 0.355E+02   0.192E+02 0.229E+02 -.354E+02   -.394E-01 -.158E+00 -.132E+00   0.135E-02 -.701E-03 -.584E-03
   -.304E+01 -.167E+02 0.265E+02   0.306E+01 0.168E+02 -.265E+02   -.149E-01 -.412E-01 0.447E-01   0.379E-03 0.260E-04 0.563E-04
   0.166E+01 -.958E+00 0.208E+02   -.166E+01 0.957E+00 -.208E+02   -.294E-02 0.169E-02 0.202E-01   0.529E-03 -.303E-03 0.576E-03
   0.230E+01 0.244E+01 0.163E+02   -.231E+01 -.245E+01 -.164E+02   0.158E-01 0.993E-02 0.272E-01   0.519E-03 -.243E-03 0.454E-03
   -.397E+01 0.119E+01 0.176E+02   0.399E+01 -.122E+01 -.176E+02   -.155E-01 0.204E-01 0.321E-01   0.880E-03 -.557E-03 0.230E-03
   -.100E+02 -.523E+01 0.189E+02   0.100E+02 0.524E+01 -.189E+02   0.164E-02 -.162E-01 -.577E-01   0.119E-02 -.622E-03 0.189E-03
   -.517E+01 -.603E+01 0.234E+02   0.516E+01 0.605E+01 -.234E+02   0.929E-02 -.197E-01 -.382E-02   0.929E-03 -.257E-03 0.399E-03
 -----------------------------------------------------------------------------------------------
   -.182E-02 0.320E-03 -.121E+02   0.240E-13 -.178E-12 0.355E-12   0.246E-15 -.125E-15 0.122E+02   -.836E-07 0.601E-07 -.269E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85335      6.06232     12.22636         0.000000      0.000000      0.016245
     -6.17394     10.69688      9.91294        -0.000562      0.000325     -0.004615
     11.11590      2.13987      9.91720        -0.001681      0.000909     -0.003784
      9.87918      4.28000      9.94352         0.000090      0.001854     -0.000369
      8.64532      6.41968      9.94264        -0.001086      0.001841      0.000003
     -4.93714      8.55782      9.93261        -0.002452      0.000130     -0.004904
     -3.70306     10.69531      9.93261        -0.001338      0.002058     -0.004904
      1.23557      2.13779      9.94299        -0.002437      0.002280      0.003085
     -0.00535      4.27832     10.00400        -0.001379     -0.000109      0.005983
     -1.24160      6.41660     10.01209        -0.000141     -0.000133      0.003319
     -2.46706      8.55671      9.95878         0.000214     -0.000124     -0.002310
      4.93986      0.00162      9.94264        -0.002137      0.000020      0.000003
      3.70630      2.13480      9.95861        -0.001310      0.002250      0.001155
      2.47419      4.25431     10.08982        -0.002509      0.002507     -0.001153
      1.21717      6.42962     10.25995        -0.000294      0.000170      0.002777
     -0.00094      8.56549     10.01209         0.000044      0.000189      0.003319
      7.40981      0.00291      9.94352        -0.001561     -0.001005     -0.000369
      6.17535      2.14004      9.94437        -0.000437      0.000114     -0.005251
      4.94341      4.27827     10.00075        -0.002423      0.001399      0.005584
      3.72955      6.42867     10.08982        -0.003426      0.000919     -0.001153
      2.46899      8.56401     10.00400        -0.000595      0.001248      0.005983
      9.88157      0.00194      9.91720        -0.001628      0.001001     -0.003784
      8.64509      2.14111      9.92422        -0.001351      0.000780     -0.005726
      7.41115      4.28050      9.94437        -0.000317      0.000321     -0.005251
      6.18116      6.42139      9.95861        -0.002604      0.000009      0.001155
      4.94320      8.55960      9.94299        -0.003193      0.000970      0.003085
     -0.00039      1.42551      9.91720         0.001628     -0.001001     -0.003784
     -1.23650      3.56504      9.94299         0.003193     -0.000970      0.003085
     -2.47447      5.70326      9.95861         0.002604     -0.000009      0.001155
     -3.70445      7.84415      9.94437         0.000317     -0.000321     -0.005251
     -4.93839      9.98353      9.92422         0.001351     -0.000780     -0.005726
      2.47137      1.42455      9.94352         0.001561      0.001005     -0.000369
      1.23771      3.56064     10.00400         0.000595     -0.001248      0.005983
     -0.02286      5.69598     10.08982         0.003426     -0.000919     -0.001153
     -1.23672      7.84637     10.00075         0.002423     -0.001399      0.005584
     -2.46866      9.98460      9.94437         0.000437     -0.000114     -0.005251
      4.94132      1.42583      9.94264         0.002137     -0.000020      0.000003
      3.70764      3.55916     10.01209        -0.000044     -0.000189      0.003319
      2.48953      5.69502     10.25995         0.000294     -0.000170      0.002777
      1.23251      7.87034     10.08982         0.002509     -0.002507     -0.001153
      0.00040      9.98985      9.95861         0.001310     -0.002250      0.001155
      7.40976      1.42934      9.93261         0.001338     -0.002058     -0.004904
      6.17375      3.56794      9.95878        -0.000214      0.000124     -0.002310
      4.94830      5.70805     10.01209         0.000141      0.000133      0.003319
      3.71205      7.84633     10.00400         0.001379      0.000109      0.005983
      2.47113      9.98685      9.94299         0.002437     -0.002280      0.003085
      9.88064      1.42777      9.91294         0.000562     -0.000325     -0.004615
      8.64384      3.56683      9.93261         0.002452     -0.000130     -0.004904
      7.41265      5.70631      9.94264         0.001086     -0.001841      0.000003
      6.17879      7.84599      9.94352        -0.000090     -0.001854     -0.000369
      4.94207      9.98612      9.91720         0.001681     -0.000909     -0.003784
 -----------------------------------------------------------------------------------
    total drift:                               -0.001817      0.000320      0.009810


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




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


    WAVPRE:  VPU time    1.39: CPU time    1.38
    FEWALD:  VPU time    0.01: CPU time    0.01
    GENKIN:  VPU time    1.18: CPU time    1.18
    ORTHCH:  VPU time  148.52: CPU time   74.35
     LOOP+:  VPU time 4122.34: CPU time 2125.08


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


    POTLOK:  VPU time    7.71: CPU time    7.62
    SETDIJ:  VPU time    0.28: CPU time    0.27
    EDDAV :  VPU time 1084.82: CPU time  554.10
 BZINTS: Fermi energy: -2.860756;210.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    CHARGE:  VPU time   89.90: CPU time   45.35
    MIXING:  VPU time    0.11: CPU time    0.11
    ------------------------------------------
      LOOP:  VPU time 1182.86: CPU time  607.48

 eigenvalue-minimisations  :  3934
 total energy-change (2. order) :-0.4631799E+03  (-0.5264148E-05)
 number of electron  210.0000059 magnetization    0.0000000
 augmentation part     8.0669143 magnetization    0.0000000

 Broyden mixing:
  rms(total) = 0.21169E-03    rms(broyden)= 0.21163E-03
  rms(prec ) = 0.25940E-03
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        92.65872319
  Ewald energy   TEWEN  =     33881.56101023
  -1/2 Hartree   DENC   =    -40806.62079806
  -V(xc)+E(xc)   XCENC  =       721.16419910
  PAW double counting   =      4068.37690815    -4104.91713094
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2401.93709215
  atomic energy  EATOM  =      8086.53425045
  ---------------------------------------------------
  free energy    TOTEN  =      -463.17993003 eV

  energy without entropy =     -463.17993003  energy(sigma->0) =     -463.17993003


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




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


    POTLOK:  VPU time    7.63: CPU time    7.62
    SETDIJ:  VPU time    0.27: CPU time    0.28
    EDDAV :  VPU time 1098.95: CPU time  561.15
 BZINTS: Fermi energy: -2.859750;210.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
    DOS   :  VPU time    0.00: CPU time    0.00
    ------------------------------------------
      LOOP:  VPU time 1106.90: CPU time  569.08

 eigenvalue-minimisations  :  4008
 total energy-change (2. order) :-0.3908217E-05  (-0.5089216E-06)
 number of electron  210.0000059 magnetization    0.0000000
 augmentation part     8.0669143 magnetization    0.0000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        92.65872319
  Ewald energy   TEWEN  =     33881.56101023
  -1/2 Hartree   DENC   =    -40806.64509994
  -V(xc)+E(xc)   XCENC  =       721.16418720
  PAW double counting   =      4068.36750173    -4104.90768941
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -2401.91281739
  atomic energy  EATOM  =      8086.53425045
  ---------------------------------------------------
  free energy    TOTEN  =      -463.17993394 eV

  energy without entropy =     -463.17993394  energy(sigma->0) =     -463.17993394


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




 average (electrostatic) potential at core
  the test charge radii are     1.2059  0.6991
  (the norm of the test charge is              1.0000)
       1 -57.8796       2 -58.0669       3 -58.0588       4 -58.0638       5 -58.0600
       6 -58.0627       7 -58.0627       8 -58.0665       9 -58.0971      10 -58.0695
      11 -58.0723      12 -58.0600      13 -58.0665      14 -58.2012      15 -58.6719
      16 -58.0695      17 -58.0638      18 -58.0623      19 -58.0682      20 -58.2012
      21 -58.0972      22 -58.0589      23 -58.0604      24 -58.0623      25 -58.0665
      26 -58.0665      27 -58.0588      28 -58.0664      29 -58.0664      30 -58.0622
      31 -58.0603      32 -58.0637      33 -58.0971      34 -58.2011      35 -58.0681
      36 -58.0622      37 -58.0599      38 -58.0694      39 -58.6718      40 -58.2011
      41 -58.0664      42 -58.0626      43 -58.0722      44 -58.0694      45 -58.0971
      46 -58.0664      47 -58.0668      48 -58.0626      49 -58.0599      50 -58.0637
      51 -58.0588
 
 
 
 E-fermi :  -2.8598     XC(G=0):  -2.3196     alpha+bet : -1.9785
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.1441      1.00000
      2     -21.3027      1.00000
      3     -21.2011      1.00000
      4     -21.1888      1.00000
      5     -21.1877      1.00000
      6     -21.1680      1.00000
      7     -21.1673      1.00000
      8     -19.4470      1.00000
      9     -19.3671      1.00000
     10     -19.3645      1.00000
     11     -19.3550      1.00000
     12     -19.3353      1.00000
     13     -19.3327      1.00000
     14     -18.5414      1.00000
     15     -18.4789      1.00000
     16     -18.4744      1.00000
     17     -18.4471      1.00000
     18     -18.4451      1.00000
     19     -18.4347      1.00000
     20     -16.4085      1.00000
     21     -16.3252      1.00000
     22     -16.3195      1.00000
     23     -16.3119      1.00000
     24     -16.2977      1.00000
     25     -16.2963      1.00000
     26     -15.3795      1.00000
     27     -15.3356      1.00000
     28     -15.3021      1.00000
     29     -15.2986      1.00000
     30     -15.2923      1.00000
     31     -15.2817      1.00000
     32     -14.0319      1.00000
     33     -13.9949      1.00000
     34     -13.9701      1.00000
     35     -13.9654      1.00000
     36     -13.9533      1.00000
     37     -13.9414      1.00000
     38     -11.7541      1.00000
     39     -11.6394      1.00000
     40     -11.6005      1.00000
     41     -11.5904      1.00000
     42     -11.5890      1.00000
     43     -11.5856      1.00000
     44     -11.5007      1.00000
     45     -11.5003      1.00000
     46     -11.4801      1.00000
     47     -11.4605      1.00000
     48     -11.4567      1.00000
     49     -11.4545      1.00000
     50     -10.4091      1.00000
     51     -10.1503      1.00000
     52     -10.1310      1.00000
     53     -10.1089      1.00000
     54     -10.1075      1.00000
     55     -10.0910      1.00000
     56     -10.0627      1.00000
     57      -9.5575      1.00000
     58      -9.2096      1.00000
     59      -9.1651      1.00000
     60      -9.1247      1.00000
     61      -9.1054      1.00000
     62      -9.1039      1.00000
     63      -8.9281      1.00000
     64      -8.8528      1.00000
     65      -8.8510      1.00000
     66      -8.8385      1.00000
     67      -8.8304      1.00000
     68      -8.8052      1.00000
     69      -8.8033      1.00000
     70      -8.7999      1.00000
     71      -8.7961      1.00000
     72      -8.7794      1.00000
     73      -8.7584      1.00000
     74      -8.7556      1.00000
     75      -7.5276      1.00000
     76      -7.3220      1.00000
     77      -7.2620      1.00000
     78      -7.2273      1.00000
     79      -7.1772      1.00000
     80      -7.1724      1.00000
     81      -7.1489      1.00000
     82      -7.1473      1.00000
     83      -6.9960      1.00000
     84      -6.9894      1.00000
     85      -6.9879      1.00000
     86      -6.9776      1.00000
     87      -6.4115      1.00000
     88      -6.3761      1.00000
     89      -6.1634      1.00000
     90      -6.1309      1.00000
     91      -6.0976      1.00000
     92      -6.0952      1.00000
     93      -5.7221      1.00000
     94      -5.6789      1.00000
     95      -5.0816      1.00000
     96      -4.7003      1.00000
     97      -4.3177      1.00000
     98      -4.2627      1.00000
     99      -4.1374      1.00000
    100      -4.1324      1.00000
    101      -4.0532      1.00000
    102      -3.9277      1.00000
    103      -3.5970      1.00000
    104      -3.5085      1.00000
    105      -3.4902      1.00000
    106      -2.3372      0.00000
    107      -1.3490      0.00000
    108      -1.3267      0.00000
    109      -1.3198      0.00000
    110      -1.3181      0.00000
    111      -1.2422      0.00000
    112      -1.2000      0.00000
    113       0.3389      0.00000
    114       0.4256      0.00000
    115       0.4744      0.00000
    116       0.5052      0.00000
    117       0.5226      0.00000
    118       0.5228      0.00000
    119       0.7498      0.00000
    120       1.3479      0.00000
    121       1.3793      0.00000
    122       1.3891      0.00000
    123       1.6694      0.00000
    124       1.8797      0.00000
    125       1.8887      0.00000
    126       1.9003      0.00000
    127       2.0778      0.00000
    128       2.1191      0.00000
    129       2.2228      0.00000
    130       2.2269      0.00000
    131       2.2330      0.00000
    132       2.2400      0.00000
    133       2.2624      0.00000
    134       2.3733      0.00000
    135       2.4561      0.00000
    136       2.5120      0.00000
    137       2.6249      0.00000
    138       2.6407      0.00000
    139       2.6743      0.00000
    140       2.8441      0.00000
    141       2.9309      0.00000
    142       2.9337      0.00000
    143       3.0097      0.00000
    144       3.0195      0.00000
    145       3.0383      0.00000
    146       3.0506      0.00000
    147       3.4421      0.00000
    148       3.4827      0.00000
    149       3.6133      0.00000
    150       3.8958      0.00000
    151       3.9184      0.00000
    152       3.9361      0.00000
    153       3.9476      0.00000
    154       3.9820      0.00000
    155       4.0349      0.00000
    156       4.0715      0.00000
    157       4.2260      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.1070      1.00000
      2     -21.5470      1.00000
      3     -21.3672      1.00000
      4     -21.3348      1.00000
      5     -20.9969      1.00000
      6     -20.9614      1.00000
      7     -20.7877      1.00000
      8     -19.8949      1.00000
      9     -19.8564      1.00000
     10     -19.3466      1.00000
     11     -19.3152      1.00000
     12     -19.1497      1.00000
     13     -18.8257      1.00000
     14     -18.7895      1.00000
     15     -18.7777      1.00000
     16     -18.7647      1.00000
     17     -18.1013      1.00000
     18     -18.0749      1.00000
     19     -17.7542      1.00000
     20     -16.8152      1.00000
     21     -16.7593      1.00000
     22     -16.6886      1.00000
     23     -16.6706      1.00000
     24     -16.2128      1.00000
     25     -16.1892      1.00000
     26     -15.3623      1.00000
     27     -15.3317      1.00000
     28     -15.0094      1.00000
     29     -14.9681      1.00000
     30     -14.9095      1.00000
     31     -14.8314      1.00000
     32     -14.8027      1.00000
     33     -14.4428      1.00000
     34     -14.4244      1.00000
     35     -13.4802      1.00000
     36     -13.4546      1.00000
     37     -12.9768      1.00000
     38     -12.3728      1.00000
     39     -12.3194      1.00000
     40     -12.1935      1.00000
     41     -12.1752      1.00000
     42     -11.8828      1.00000
     43     -11.8434      1.00000
     44     -11.4725      1.00000
     45     -11.4164      1.00000
     46     -11.0061      1.00000
     47     -10.9657      1.00000
     48     -10.7800      1.00000
     49     -10.7437      1.00000
     50     -10.6812      1.00000
     51     -10.6367      1.00000
     52     -10.3056      1.00000
     53      -9.8998      1.00000
     54      -9.8984      1.00000
     55      -9.8517      1.00000
     56      -9.6909      1.00000
     57      -9.4771      1.00000
     58      -9.4429      1.00000
     59      -9.3821      1.00000
     60      -9.3550      1.00000
     61      -9.3156      1.00000
     62      -9.2665      1.00000
     63      -9.0618      1.00000
     64      -9.0458      1.00000
     65      -9.0013      1.00000
     66      -8.9512      1.00000
     67      -8.8866      1.00000
     68      -8.8521      1.00000
     69      -8.8399      1.00000
     70      -8.6812      1.00000
     71      -8.6142      1.00000
     72      -8.3714      1.00000
     73      -8.3395      1.00000
     74      -7.8574      1.00000
     75      -7.8157      1.00000
     76      -7.6391      1.00000
     77      -7.6034      1.00000
     78      -7.5037      1.00000
     79      -7.4964      1.00000
     80      -7.1521      1.00000
     81      -7.1307      1.00000
     82      -7.0945      1.00000
     83      -7.0515      1.00000
     84      -6.8593      1.00000
     85      -6.7671      1.00000
     86      -6.6314      1.00000
     87      -6.5383      1.00000
     88      -6.4269      1.00000
     89      -6.3691      1.00000
     90      -5.9167      1.00000
     91      -5.8918      1.00000
     92      -5.8733      1.00000
     93      -5.7552      1.00000
     94      -5.5437      1.00000
     95      -5.1394      1.00000
     96      -4.8138      1.00000
     97      -4.5244      1.00000
     98      -4.4345      1.00000
     99      -4.2566      1.00000
    100      -4.1736      1.00000
    101      -4.0539      1.00000
    102      -3.8887      1.00000
    103      -3.5659      1.00000
    104      -3.4916      1.00000
    105      -3.4629      1.00000
    106      -2.3528      0.00000
    107      -1.4921      0.00000
    108      -1.4274      0.00000
    109      -1.0672      0.00000
    110      -1.0489      0.00000
    111      -1.0188      0.00000
    112      -0.9858      0.00000
    113      -0.3642      0.00000
    114       0.0104      0.00000
    115       0.0390      0.00000
    116       0.7625      0.00000
    117       0.8574      0.00000
    118       0.9490      0.00000
    119       1.1043      0.00000
    120       1.2901      0.00000
    121       1.3451      0.00000
    122       1.4370      0.00000
    123       1.4693      0.00000
    124       1.5365      0.00000
    125       1.7049      0.00000
    126       1.7637      0.00000
    127       1.9503      0.00000
    128       1.9631      0.00000
    129       2.0811      0.00000
    130       2.1561      0.00000
    131       2.3191      0.00000
    132       2.3249      0.00000
    133       2.3459      0.00000
    134       2.4497      0.00000
    135       2.5766      0.00000
    136       2.7293      0.00000
    137       2.7647      0.00000
    138       2.7746      0.00000
    139       2.8252      0.00000
    140       2.9649      0.00000
    141       2.9776      0.00000
    142       3.0575      0.00000
    143       3.1072      0.00000
    144       3.1300      0.00000
    145       3.2729      0.00000
    146       3.2923      0.00000
    147       3.4347      0.00000
    148       3.4833      0.00000
    149       3.5537      0.00000
    150       3.6314      0.00000
    151       3.6658      0.00000
    152       3.7801      0.00000
    153       3.9449      0.00000
    154       4.0005      0.00000
    155       4.0663      0.00000
    156       4.0769      0.00000
    157       4.1318      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9977      1.00000
      2     -21.8011      1.00000
      3     -21.4431      1.00000
      4     -21.4094      1.00000
      5     -20.7036      1.00000
      6     -20.6652      1.00000
      7     -20.3418      1.00000
      8     -20.3031      1.00000
      9     -20.2922      1.00000
     10     -19.7621      1.00000
     11     -19.2426      1.00000
     12     -19.2081      1.00000
     13     -19.0444      1.00000
     14     -19.0237      1.00000
     15     -18.1833      1.00000
     16     -18.1398      1.00000
     17     -17.6689      1.00000
     18     -17.6369      1.00000
     19     -17.4949      1.00000
     20     -17.4556      1.00000
     21     -17.1802      1.00000
     22     -17.1554      1.00000
     23     -17.0790      1.00000
     24     -16.2081      1.00000
     25     -16.1857      1.00000
     26     -15.6917      1.00000
     27     -15.1627      1.00000
     28     -15.1342      1.00000
     29     -14.8452      1.00000
     30     -14.8196      1.00000
     31     -14.6129      1.00000
     32     -14.5779      1.00000
     33     -14.0285      1.00000
     34     -13.9910      1.00000
     35     -13.1861      1.00000
     36     -13.1389      1.00000
     37     -12.9353      1.00000
     38     -12.9062      1.00000
     39     -12.7118      1.00000
     40     -12.6968      1.00000
     41     -12.3751      1.00000
     42     -12.3446      1.00000
     43     -11.9446      1.00000
     44     -11.3402      1.00000
     45     -11.2730      1.00000
     46     -11.0709      1.00000
     47     -11.0202      1.00000
     48     -10.8943      1.00000
     49     -10.4543      1.00000
     50     -10.4046      1.00000
     51     -10.2267      1.00000
     52     -10.0604      1.00000
     53     -10.0505      1.00000
     54      -9.9327      1.00000
     55      -9.8569      1.00000
     56      -9.8478      1.00000
     57      -9.5548      1.00000
     58      -9.5175      1.00000
     59      -9.4692      1.00000
     60      -9.4393      1.00000
     61      -9.4228      1.00000
     62      -9.3869      1.00000
     63      -9.1070      1.00000
     64      -9.0921      1.00000
     65      -9.0575      1.00000
     66      -8.7951      1.00000
     67      -8.7049      1.00000
     68      -8.6181      1.00000
     69      -8.5457      1.00000
     70      -8.3511      1.00000
     71      -8.2708      1.00000
     72      -8.1407      1.00000
     73      -8.1256      1.00000
     74      -8.0822      1.00000
     75      -8.0232      1.00000
     76      -8.0030      1.00000
     77      -7.9947      1.00000
     78      -7.9719      1.00000
     79      -7.5413      1.00000
     80      -7.1458      1.00000
     81      -7.1088      1.00000
     82      -7.0926      1.00000
     83      -6.9993      1.00000
     84      -6.9645      1.00000
     85      -6.7313      1.00000
     86      -6.7245      1.00000
     87      -6.3792      1.00000
     88      -6.3131      1.00000
     89      -6.0531      1.00000
     90      -5.9926      1.00000
     91      -5.8141      1.00000
     92      -5.5967      1.00000
     93      -5.4677      1.00000
     94      -5.2955      1.00000
     95      -5.1336      1.00000
     96      -5.0646      1.00000
     97      -4.9701      1.00000
     98      -4.9676      1.00000
     99      -4.3823      1.00000
    100      -4.1401      1.00000
    101      -4.0895      1.00000
    102      -3.8375      1.00000
    103      -3.6079      1.00000
    104      -3.4136      1.00000
    105      -3.3888      1.00000
    106      -2.3673      0.00000
    107      -1.5874      0.00000
    108      -1.4929      0.00000
    109      -0.8801      0.00000
    110      -0.7577      0.00000
    111      -0.7404      0.00000
    112      -0.3956      0.00000
    113      -0.3764      0.00000
    114      -0.3619      0.00000
    115      -0.3456      0.00000
    116       0.4092      0.00000
    117       0.4757      0.00000
    118       0.8212      0.00000
    119       1.1185      0.00000
    120       1.1447      0.00000
    121       1.3789      0.00000
    122       1.4886      0.00000
    123       1.5189      0.00000
    124       1.6665      0.00000
    125       1.7882      0.00000
    126       1.8112      0.00000
    127       1.8412      0.00000
    128       1.9456      0.00000
    129       2.1128      0.00000
    130       2.1337      0.00000
    131       2.1832      0.00000
    132       2.4542      0.00000
    133       2.4904      0.00000
    134       2.6055      0.00000
    135       2.6687      0.00000
    136       2.7081      0.00000
    137       2.7587      0.00000
    138       2.9000      0.00000
    139       2.9543      0.00000
    140       3.0406      0.00000
    141       3.1238      0.00000
    142       3.2297      0.00000
    143       3.2457      0.00000
    144       3.4350      0.00000
    145       3.4476      0.00000
    146       3.4722      0.00000
    147       3.5227      0.00000
    148       3.5992      0.00000
    149       3.6738      0.00000
    150       3.6952      0.00000
    151       3.7307      0.00000
    152       3.7864      0.00000
    153       3.8441      0.00000
    154       3.9073      0.00000
    155       3.9148      0.00000
    156       3.9934      0.00000
    157       4.0029      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0335      1.00000
      2     -21.6730      1.00000
      3     -21.6310      1.00000
      4     -21.1015      1.00000
      5     -21.0811      1.00000
      6     -20.5552      1.00000
      7     -20.5135      1.00000
      8     -20.3507      1.00000
      9     -19.8011      1.00000
     10     -19.8004      1.00000
     11     -19.4452      1.00000
     12     -19.4254      1.00000
     13     -18.7231      1.00000
     14     -18.7214      1.00000
     15     -18.3701      1.00000
     16     -18.3588      1.00000
     17     -18.1919      1.00000
     18     -17.4224      1.00000
     19     -17.3610      1.00000
     20     -17.3457      1.00000
     21     -17.3239      1.00000
     22     -16.8545      1.00000
     23     -16.8405      1.00000
     24     -16.6934      1.00000
     25     -15.7294      1.00000
     26     -15.6756      1.00000
     27     -15.3208      1.00000
     28     -15.3071      1.00000
     29     -15.0424      1.00000
     30     -14.5972      1.00000
     31     -14.5648      1.00000
     32     -14.3192      1.00000
     33     -14.2828      1.00000
     34     -13.9040      1.00000
     35     -13.9015      1.00000
     36     -12.8805      1.00000
     37     -12.8226      1.00000
     38     -12.7861      1.00000
     39     -12.7631      1.00000
     40     -12.4525      1.00000
     41     -12.4492      1.00000
     42     -12.0666      1.00000
     43     -12.0493      1.00000
     44     -11.4229      1.00000
     45     -11.3759      1.00000
     46     -11.3087      1.00000
     47     -10.7134      1.00000
     48     -10.6609      1.00000
     49     -10.4012      1.00000
     50     -10.3751      1.00000
     51     -10.2467      1.00000
     52     -10.2404      1.00000
     53     -10.1860      1.00000
     54     -10.1808      1.00000
     55     -10.0914      1.00000
     56      -9.8128      1.00000
     57      -9.6495      1.00000
     58      -9.3555      1.00000
     59      -9.2969      1.00000
     60      -9.2599      1.00000
     61      -9.1510      1.00000
     62      -9.1349      1.00000
     63      -9.1142      1.00000
     64      -9.0715      1.00000
     65      -9.0367      1.00000
     66      -8.9336      1.00000
     67      -8.8985      1.00000
     68      -8.8512      1.00000
     69      -8.6089      1.00000
     70      -8.5973      1.00000
     71      -8.4748      1.00000
     72      -8.3490      1.00000
     73      -8.1956      1.00000
     74      -7.9571      1.00000
     75      -7.9167      1.00000
     76      -7.6794      1.00000
     77      -7.6081      1.00000
     78      -7.5709      1.00000
     79      -7.5705      1.00000
     80      -7.4584      1.00000
     81      -7.4460      1.00000
     82      -7.2056      1.00000
     83      -7.1455      1.00000
     84      -6.6827      1.00000
     85      -6.6555      1.00000
     86      -6.5620      1.00000
     87      -6.4263      1.00000
     88      -6.1885      1.00000
     89      -6.1170      1.00000
     90      -6.0595      1.00000
     91      -5.9671      1.00000
     92      -5.7981      1.00000
     93      -5.4202      1.00000
     94      -5.2390      1.00000
     95      -5.2032      1.00000
     96      -5.1143      1.00000
     97      -4.9706      1.00000
     98      -4.5190      1.00000
     99      -4.4606      1.00000
    100      -4.1323      1.00000
    101      -4.0925      1.00000
    102      -3.9710      1.00000
    103      -3.5980      1.00000
    104      -3.5437      1.00000
    105      -3.1010      1.00000
    106      -2.4575      0.00000
    107      -1.8267      0.00000
    108      -1.0196      0.00000
    109      -0.9630      0.00000
    110      -0.9313      0.00000
    111      -0.6825      0.00000
    112      -0.6792      0.00000
    113      -0.5458      0.00000
    114      -0.5452      0.00000
    115       0.4303      0.00000
    116       0.4394      0.00000
    117       0.5307      0.00000
    118       0.7925      0.00000
    119       1.0134      0.00000
    120       1.0892      0.00000
    121       1.2489      0.00000
    122       1.2838      0.00000
    123       1.6091      0.00000
    124       1.6575      0.00000
    125       1.6974      0.00000
    126       1.8381      0.00000
    127       2.0238      0.00000
    128       2.0388      0.00000
    129       2.0574      0.00000
    130       2.2475      0.00000
    131       2.2743      0.00000
    132       2.3834      0.00000
    133       2.5269      0.00000
    134       2.5678      0.00000
    135       2.6816      0.00000
    136       2.7686      0.00000
    137       2.8025      0.00000
    138       2.8494      0.00000
    139       2.8570      0.00000
    140       3.1042      0.00000
    141       3.1180      0.00000
    142       3.1562      0.00000
    143       3.1686      0.00000
    144       3.2454      0.00000
    145       3.2971      0.00000
    146       3.4006      0.00000
    147       3.4416      0.00000
    148       3.5594      0.00000
    149       3.5948      0.00000
    150       3.7190      0.00000
    151       3.7563      0.00000
    152       3.8440      0.00000
    153       3.9270      0.00000
    154       3.9554      0.00000
    155       3.9828      0.00000
    156       4.0011      0.00000
    157       4.0979      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9139      1.00000
      2     -21.8495      1.00000
      3     -21.6851      1.00000
      4     -21.1294      1.00000
      5     -20.7777      1.00000
      6     -20.7366      1.00000
      7     -20.2292      1.00000
      8     -20.1838      1.00000
      9     -20.0311      1.00000
     10     -19.9997      1.00000
     11     -19.6795      1.00000
     12     -19.6257      1.00000
     13     -18.6085      1.00000
     14     -18.5486      1.00000
     15     -18.0949      1.00000
     16     -18.0290      1.00000
     17     -17.8931      1.00000
     18     -17.8622      1.00000
     19     -17.5662      1.00000
     20     -17.5147      1.00000
     21     -17.0003      1.00000
     22     -16.9677      1.00000
     23     -16.9068      1.00000
     24     -16.8652      1.00000
     25     -15.8313      1.00000
     26     -15.6325      1.00000
     27     -15.5960      1.00000
     28     -15.5633      1.00000
     29     -14.9846      1.00000
     30     -14.3051      1.00000
     31     -14.2578      1.00000
     32     -14.0287      1.00000
     33     -13.7042      1.00000
     34     -13.6927      1.00000
     35     -13.5671      1.00000
     36     -13.5395      1.00000
     37     -13.3636      1.00000
     38     -13.3026      1.00000
     39     -13.0945      1.00000
     40     -12.3582      1.00000
     41     -11.9544      1.00000
     42     -11.8700      1.00000
     43     -11.8123      1.00000
     44     -11.7565      1.00000
     45     -11.4314      1.00000
     46     -11.3952      1.00000
     47     -10.9112      1.00000
     48     -10.8565      1.00000
     49     -10.5561      1.00000
     50     -10.4721      1.00000
     51     -10.1854      1.00000
     52      -9.9640      1.00000
     53      -9.9415      1.00000
     54      -9.9023      1.00000
     55      -9.7614      1.00000
     56      -9.7591      1.00000
     57      -9.7140      1.00000
     58      -9.5624      1.00000
     59      -9.5373      1.00000
     60      -9.5130      1.00000
     61      -9.4994      1.00000
     62      -9.2059      1.00000
     63      -9.1125      1.00000
     64      -8.8591      1.00000
     65      -8.8148      1.00000
     66      -8.7766      1.00000
     67      -8.6686      1.00000
     68      -8.6083      1.00000
     69      -8.4717      1.00000
     70      -8.4387      1.00000
     71      -8.3313      1.00000
     72      -8.2818      1.00000
     73      -8.2327      1.00000
     74      -8.2020      1.00000
     75      -8.1155      1.00000
     76      -7.9746      1.00000
     77      -7.8414      1.00000
     78      -7.7691      1.00000
     79      -7.6533      1.00000
     80      -7.5120      1.00000
     81      -7.3622      1.00000
     82      -7.2786      1.00000
     83      -6.7753      1.00000
     84      -6.6817      1.00000
     85      -6.6262      1.00000
     86      -6.5478      1.00000
     87      -6.3214      1.00000
     88      -6.2362      1.00000
     89      -6.1678      1.00000
     90      -5.9963      1.00000
     91      -5.7446      1.00000
     92      -5.5776      1.00000
     93      -5.5383      1.00000
     94      -5.3469      1.00000
     95      -5.1835      1.00000
     96      -5.0058      1.00000
     97      -4.9741      1.00000
     98      -4.9670      1.00000
     99      -4.5554      1.00000
    100      -4.1339      1.00000
    101      -4.0848      1.00000
    102      -3.9630      1.00000
    103      -3.6194      1.00000
    104      -3.5721      1.00000
    105      -2.9282      1.00000
    106      -2.4570      0.00000
    107      -2.0175      0.00000
    108      -0.9623      0.00000
    109      -0.9311      0.00000
    110      -0.9060      0.00000
    111      -0.8788      0.00000
    112      -0.2449      0.00000
    113      -0.2294      0.00000
    114      -0.0720      0.00000
    115      -0.0613      0.00000
    116       0.1952      0.00000
    117       0.2605      0.00000
    118       0.7398      0.00000
    119       0.8329      0.00000
    120       0.8893      0.00000
    121       1.0520      0.00000
    122       1.3025      0.00000
    123       1.5667      0.00000
    124       1.6683      0.00000
    125       1.7776      0.00000
    126       1.9621      0.00000
    127       2.0482      0.00000
    128       2.0993      0.00000
    129       2.1632      0.00000
    130       2.3147      0.00000
    131       2.3441      0.00000
    132       2.4894      0.00000
    133       2.5176      0.00000
    134       2.7297      0.00000
    135       2.7449      0.00000
    136       2.9604      0.00000
    137       2.9769      0.00000
    138       2.9985      0.00000
    139       3.0637      0.00000
    140       3.1026      0.00000
    141       3.1485      0.00000
    142       3.1709      0.00000
    143       3.1968      0.00000
    144       3.2647      0.00000
    145       3.4039      0.00000
    146       3.4234      0.00000
    147       3.4353      0.00000
    148       3.4582      0.00000
    149       3.5391      0.00000
    150       3.6005      0.00000
    151       3.6163      0.00000
    152       3.6448      0.00000
    153       3.6926      0.00000
    154       3.8328      0.00000
    155       3.9075      0.00000
    156       3.9468      0.00000
    157       4.0066      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0330      1.00000
      2     -21.6801      1.00000
      3     -21.6240      1.00000
      4     -21.1118      1.00000
      5     -21.0709      1.00000
      6     -20.5615      1.00000
      7     -20.5066      1.00000
      8     -20.3494      1.00000
      9     -19.8234      1.00000
     10     -19.7817      1.00000
     11     -19.4525      1.00000
     12     -19.4153      1.00000
     13     -18.7459      1.00000
     14     -18.7014      1.00000
     15     -18.3896      1.00000
     16     -18.3425      1.00000
     17     -18.1908      1.00000
     18     -17.4108      1.00000
     19     -17.3639      1.00000
     20     -17.3393      1.00000
     21     -17.3150      1.00000
     22     -16.8809      1.00000
     23     -16.8244      1.00000
     24     -16.7100      1.00000
     25     -15.7571      1.00000
     26     -15.6444      1.00000
     27     -15.3418      1.00000
     28     -15.3008      1.00000
     29     -15.0078      1.00000
     30     -14.6285      1.00000
     31     -14.5598      1.00000
     32     -14.3145      1.00000
     33     -14.2732      1.00000
     34     -13.9046      1.00000
     35     -13.8920      1.00000
     36     -12.9318      1.00000
     37     -12.8248      1.00000
     38     -12.7670      1.00000
     39     -12.7512      1.00000
     40     -12.4755      1.00000
     41     -12.4279      1.00000
     42     -12.0713      1.00000
     43     -12.0519      1.00000
     44     -11.3940      1.00000
     45     -11.3615      1.00000
     46     -11.2988      1.00000
     47     -10.6915      1.00000
     48     -10.6730      1.00000
     49     -10.4814      1.00000
     50     -10.3351      1.00000
     51     -10.3103      1.00000
     52     -10.2379      1.00000
     53     -10.2003      1.00000
     54     -10.1467      1.00000
     55     -10.0890      1.00000
     56      -9.8088      1.00000
     57      -9.6447      1.00000
     58      -9.3720      1.00000
     59      -9.2927      1.00000
     60      -9.2202      1.00000
     61      -9.1703      1.00000
     62      -9.1433      1.00000
     63      -9.1122      1.00000
     64      -9.0750      1.00000
     65      -9.0230      1.00000
     66      -8.9115      1.00000
     67      -8.8662      1.00000
     68      -8.8482      1.00000
     69      -8.6156      1.00000
     70      -8.6031      1.00000
     71      -8.4864      1.00000
     72      -8.3377      1.00000
     73      -8.2293      1.00000
     74      -7.9486      1.00000
     75      -7.9199      1.00000
     76      -7.7242      1.00000
     77      -7.6123      1.00000
     78      -7.5713      1.00000
     79      -7.5168      1.00000
     80      -7.4679      1.00000
     81      -7.4263      1.00000
     82      -7.2352      1.00000
     83      -7.1131      1.00000
     84      -6.7139      1.00000
     85      -6.6582      1.00000
     86      -6.5758      1.00000
     87      -6.3748      1.00000
     88      -6.1696      1.00000
     89      -6.1160      1.00000
     90      -6.0572      1.00000
     91      -5.9451      1.00000
     92      -5.8616      1.00000
     93      -5.5627      1.00000
     94      -5.3429      1.00000
     95      -5.1308      1.00000
     96      -4.9716      1.00000
     97      -4.8353      1.00000
     98      -4.5774      1.00000
     99      -4.4948      1.00000
    100      -4.1633      1.00000
    101      -4.0356      1.00000
    102      -3.9040      1.00000
    103      -3.6459      1.00000
    104      -3.5786      1.00000
    105      -3.2383      1.00000
    106      -2.2805      0.00000
    107      -1.8789      0.00000
    108      -1.0404      0.00000
    109      -0.9627      0.00000
    110      -0.9311      0.00000
    111      -0.6846      0.00000
    112      -0.6531      0.00000
    113      -0.5527      0.00000
    114      -0.5402      0.00000
    115       0.3423      0.00000
    116       0.4687      0.00000
    117       0.5204      0.00000
    118       0.8079      0.00000
    119       1.0746      0.00000
    120       1.1145      0.00000
    121       1.1717      0.00000
    122       1.3296      0.00000
    123       1.6053      0.00000
    124       1.6359      0.00000
    125       1.6988      0.00000
    126       1.8406      0.00000
    127       2.0197      0.00000
    128       2.0353      0.00000
    129       2.0534      0.00000
    130       2.2563      0.00000
    131       2.3115      0.00000
    132       2.3922      0.00000
    133       2.5130      0.00000
    134       2.5439      0.00000
    135       2.6884      0.00000
    136       2.7785      0.00000
    137       2.8090      0.00000
    138       2.8311      0.00000
    139       2.8705      0.00000
    140       3.0762      0.00000
    141       3.1121      0.00000
    142       3.1562      0.00000
    143       3.1706      0.00000
    144       3.2522      0.00000
    145       3.3079      0.00000
    146       3.4102      0.00000
    147       3.4651      0.00000
    148       3.5447      0.00000
    149       3.5776      0.00000
    150       3.7290      0.00000
    151       3.7581      0.00000
    152       3.8303      0.00000
    153       3.9420      0.00000
    154       3.9523      0.00000
    155       3.9835      0.00000
    156       4.0005      0.00000
    157       4.0748      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1068      1.00000
      2     -21.5488      1.00000
      3     -21.3621      1.00000
      4     -21.3377      1.00000
      5     -20.9958      1.00000
      6     -20.9648      1.00000
      7     -20.7856      1.00000
      8     -19.8925      1.00000
      9     -19.8587      1.00000
     10     -19.3485      1.00000
     11     -19.3186      1.00000
     12     -19.1431      1.00000
     13     -18.8334      1.00000
     14     -18.7930      1.00000
     15     -18.7723      1.00000
     16     -18.7616      1.00000
     17     -18.1022      1.00000
     18     -18.0787      1.00000
     19     -17.7456      1.00000
     20     -16.8030      1.00000
     21     -16.7586      1.00000
     22     -16.6931      1.00000
     23     -16.6741      1.00000
     24     -16.2297      1.00000
     25     -16.1955      1.00000
     26     -15.3481      1.00000
     27     -15.3262      1.00000
     28     -14.9738      1.00000
     29     -14.9626      1.00000
     30     -14.9409      1.00000
     31     -14.8488      1.00000
     32     -14.8018      1.00000
     33     -14.4427      1.00000
     34     -14.4212      1.00000
     35     -13.4775      1.00000
     36     -13.4492      1.00000
     37     -12.9808      1.00000
     38     -12.4123      1.00000
     39     -12.3156      1.00000
     40     -12.1934      1.00000
     41     -12.1802      1.00000
     42     -11.8484      1.00000
     43     -11.8302      1.00000
     44     -11.4591      1.00000
     45     -11.4135      1.00000
     46     -11.0546      1.00000
     47     -10.9631      1.00000
     48     -10.7644      1.00000
     49     -10.7406      1.00000
     50     -10.6665      1.00000
     51     -10.6249      1.00000
     52     -10.3338      1.00000
     53      -9.9797      1.00000
     54      -9.8887      1.00000
     55      -9.8312      1.00000
     56      -9.6617      1.00000
     57      -9.4373      1.00000
     58      -9.4329      1.00000
     59      -9.4000      1.00000
     60      -9.3719      1.00000
     61      -9.3036      1.00000
     62      -9.2611      1.00000
     63      -9.0758      1.00000
     64      -9.0377      1.00000
     65      -8.9914      1.00000
     66      -8.9785      1.00000
     67      -8.8672      1.00000
     68      -8.8600      1.00000
     69      -8.8454      1.00000
     70      -8.6808      1.00000
     71      -8.6128      1.00000
     72      -8.3395      1.00000
     73      -8.3355      1.00000
     74      -7.9111      1.00000
     75      -7.8070      1.00000
     76      -7.6497      1.00000
     77      -7.5641      1.00000
     78      -7.5332      1.00000
     79      -7.4870      1.00000
     80      -7.2329      1.00000
     81      -7.0580      1.00000
     82      -7.0377      1.00000
     83      -7.0015      1.00000
     84      -6.9614      1.00000
     85      -6.7481      1.00000
     86      -6.6416      1.00000
     87      -6.5124      1.00000
     88      -6.4533      1.00000
     89      -6.3710      1.00000
     90      -5.9458      1.00000
     91      -5.8664      1.00000
     92      -5.8404      1.00000
     93      -5.7121      1.00000
     94      -5.6719      1.00000
     95      -5.1331      1.00000
     96      -4.6951      1.00000
     97      -4.5876      1.00000
     98      -4.4265      1.00000
     99      -4.2388      1.00000
    100      -4.2192      1.00000
    101      -3.8935      1.00000
    102      -3.8565      1.00000
    103      -3.7647      1.00000
    104      -3.5128      1.00000
    105      -3.4682      1.00000
    106      -2.2803      0.00000
    107      -1.4946      0.00000
    108      -1.4371      0.00000
    109      -1.0832      0.00000
    110      -1.0562      0.00000
    111      -1.0443      0.00000
    112      -0.9521      0.00000
    113      -0.3377      0.00000
    114      -0.0054      0.00000
    115       0.0204      0.00000
    116       0.7436      0.00000
    117       0.8761      0.00000
    118       0.9188      0.00000
    119       1.1734      0.00000
    120       1.2946      0.00000
    121       1.3864      0.00000
    122       1.3901      0.00000
    123       1.4282      0.00000
    124       1.5382      0.00000
    125       1.7061      0.00000
    126       1.7605      0.00000
    127       1.9388      0.00000
    128       1.9684      0.00000
    129       2.1271      0.00000
    130       2.1380      0.00000
    131       2.3222      0.00000
    132       2.3270      0.00000
    133       2.3523      0.00000
    134       2.4448      0.00000
    135       2.5834      0.00000
    136       2.7376      0.00000
    137       2.7598      0.00000
    138       2.7733      0.00000
    139       2.8080      0.00000
    140       2.9242      0.00000
    141       2.9796      0.00000
    142       3.0715      0.00000
    143       3.1352      0.00000
    144       3.1741      0.00000
    145       3.2641      0.00000
    146       3.2817      0.00000
    147       3.4165      0.00000
    148       3.4501      0.00000
    149       3.5613      0.00000
    150       3.6448      0.00000
    151       3.6621      0.00000
    152       3.7728      0.00000
    153       3.9575      0.00000
    154       3.9581      0.00000
    155       4.0691      0.00000
    156       4.0810      0.00000
    157       4.1765      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9092      1.00000
      2     -21.8562      1.00000
      3     -21.6832      1.00000
      4     -21.1301      1.00000
      5     -20.7667      1.00000
      6     -20.7472      1.00000
      7     -20.2181      1.00000
      8     -20.1955      1.00000
      9     -20.0159      1.00000
     10     -20.0140      1.00000
     11     -19.6722      1.00000
     12     -19.6333      1.00000
     13     -18.6086      1.00000
     14     -18.5569      1.00000
     15     -18.0634      1.00000
     16     -18.0473      1.00000
     17     -17.8825      1.00000
     18     -17.8775      1.00000
     19     -17.5451      1.00000
     20     -17.5300      1.00000
     21     -17.0043      1.00000
     22     -16.9763      1.00000
     23     -16.8891      1.00000
     24     -16.8712      1.00000
     25     -15.8627      1.00000
     26     -15.6027      1.00000
     27     -15.5972      1.00000
     28     -15.5833      1.00000
     29     -14.9595      1.00000
     30     -14.2894      1.00000
     31     -14.2712      1.00000
     32     -14.0051      1.00000
     33     -13.7365      1.00000
     34     -13.6990      1.00000
     35     -13.5629      1.00000
     36     -13.5527      1.00000
     37     -13.3408      1.00000
     38     -13.3106      1.00000
     39     -13.0990      1.00000
     40     -12.3824      1.00000
     41     -11.9106      1.00000
     42     -11.8881      1.00000
     43     -11.7880      1.00000
     44     -11.7564      1.00000
     45     -11.4228      1.00000
     46     -11.4136      1.00000
     47     -10.9080      1.00000
     48     -10.8765      1.00000
     49     -10.5361      1.00000
     50     -10.4723      1.00000
     51     -10.2200      1.00000
     52      -9.9489      1.00000
     53      -9.9370      1.00000
     54      -9.9190      1.00000
     55      -9.7775      1.00000
     56      -9.7334      1.00000
     57      -9.7140      1.00000
     58      -9.5756      1.00000
     59      -9.5361      1.00000
     60      -9.5171      1.00000
     61      -9.5010      1.00000
     62      -9.2005      1.00000
     63      -9.1134      1.00000
     64      -8.8478      1.00000
     65      -8.8046      1.00000
     66      -8.7468      1.00000
     67      -8.7057      1.00000
     68      -8.5966      1.00000
     69      -8.4534      1.00000
     70      -8.4427      1.00000
     71      -8.3128      1.00000
     72      -8.2912      1.00000
     73      -8.2089      1.00000
     74      -8.2036      1.00000
     75      -8.0855      1.00000
     76      -8.0451      1.00000
     77      -7.8378      1.00000
     78      -7.8019      1.00000
     79      -7.6990      1.00000
     80      -7.4394      1.00000
     81      -7.3663      1.00000
     82      -7.2506      1.00000
     83      -6.8271      1.00000
     84      -6.7097      1.00000
     85      -6.6320      1.00000
     86      -6.3856      1.00000
     87      -6.3056      1.00000
     88      -6.2660      1.00000
     89      -6.2000      1.00000
     90      -6.1280      1.00000
     91      -5.7515      1.00000
     92      -5.5564      1.00000
     93      -5.5180      1.00000
     94      -5.3664      1.00000
     95      -5.1649      1.00000
     96      -4.9859      1.00000
     97      -4.9781      1.00000
     98      -4.9429      1.00000
     99      -4.5077      1.00000
    100      -4.1358      1.00000
    101      -4.0647      1.00000
    102      -3.9834      1.00000
    103      -3.6354      1.00000
    104      -3.5938      1.00000
    105      -3.0551      1.00000
    106      -2.2003      0.00000
    107      -2.1541      0.00000
    108      -0.9305      0.00000
    109      -0.9220      0.00000
    110      -0.9135      0.00000
    111      -0.9020      0.00000
    112      -0.2437      0.00000
    113      -0.2363      0.00000
    114      -0.0932      0.00000
    115      -0.0697      0.00000
    116       0.2317      0.00000
    117       0.2408      0.00000
    118       0.7191      0.00000
    119       0.8202      0.00000
    120       0.9488      0.00000
    121       1.0245      0.00000
    122       1.2810      0.00000
    123       1.6018      0.00000
    124       1.6422      0.00000
    125       1.7794      0.00000
    126       1.9663      0.00000
    127       2.0487      0.00000
    128       2.0883      0.00000
    129       2.1566      0.00000
    130       2.3218      0.00000
    131       2.3843      0.00000
    132       2.4889      0.00000
    133       2.5161      0.00000
    134       2.7248      0.00000
    135       2.8306      0.00000
    136       2.9238      0.00000
    137       2.9697      0.00000
    138       2.9987      0.00000
    139       3.0307      0.00000
    140       3.1014      0.00000
    141       3.1233      0.00000
    142       3.1916      0.00000
    143       3.1974      0.00000
    144       3.2813      0.00000
    145       3.3833      0.00000
    146       3.4148      0.00000
    147       3.4380      0.00000
    148       3.4770      0.00000
    149       3.5038      0.00000
    150       3.5997      0.00000
    151       3.6175      0.00000
    152       3.6406      0.00000
    153       3.6667      0.00000
    154       3.8356      0.00000
    155       3.9503      0.00000
    156       3.9594      0.00000
    157       4.0013      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9965      1.00000
      2     -21.8036      1.00000
      3     -21.4388      1.00000
      4     -21.4125      1.00000
      5     -20.7011      1.00000
      6     -20.6680      1.00000
      7     -20.3313      1.00000
      8     -20.3062      1.00000
      9     -20.2985      1.00000
     10     -19.7615      1.00000
     11     -19.2401      1.00000
     12     -19.2102      1.00000
     13     -19.0466      1.00000
     14     -19.0295      1.00000
     15     -18.1733      1.00000
     16     -18.1409      1.00000
     17     -17.6675      1.00000
     18     -17.6414      1.00000
     19     -17.4895      1.00000
     20     -17.4547      1.00000
     21     -17.1819      1.00000
     22     -17.1577      1.00000
     23     -17.0678      1.00000
     24     -16.2288      1.00000
     25     -16.1906      1.00000
     26     -15.7076      1.00000
     27     -15.1515      1.00000
     28     -15.1293      1.00000
     29     -14.8408      1.00000
     30     -14.8155      1.00000
     31     -14.5799      1.00000
     32     -14.5706      1.00000
     33     -14.0582      1.00000
     34     -13.9887      1.00000
     35     -13.2163      1.00000
     36     -13.1355      1.00000
     37     -12.9261      1.00000
     38     -12.8993      1.00000
     39     -12.7279      1.00000
     40     -12.7052      1.00000
     41     -12.3600      1.00000
     42     -12.3363      1.00000
     43     -11.9468      1.00000
     44     -11.3179      1.00000
     45     -11.2674      1.00000
     46     -11.0509      1.00000
     47     -11.0124      1.00000
     48     -10.9049      1.00000
     49     -10.5277      1.00000
     50     -10.4041      1.00000
     51     -10.2234      1.00000
     52     -10.0520      1.00000
     53     -10.0514      1.00000
     54      -9.9413      1.00000
     55      -9.8657      1.00000
     56      -9.8292      1.00000
     57      -9.5783      1.00000
     58      -9.4882      1.00000
     59      -9.4575      1.00000
     60      -9.4438      1.00000
     61      -9.4373      1.00000
     62      -9.3854      1.00000
     63      -9.1108      1.00000
     64      -9.0890      1.00000
     65      -9.0596      1.00000
     66      -8.7394      1.00000
     67      -8.7036      1.00000
     68      -8.6532      1.00000
     69      -8.5250      1.00000
     70      -8.3326      1.00000
     71      -8.2815      1.00000
     72      -8.1731      1.00000
     73      -8.1321      1.00000
     74      -8.0415      1.00000
     75      -8.0307      1.00000
     76      -7.9981      1.00000
     77      -7.9791      1.00000
     78      -7.9696      1.00000
     79      -7.5648      1.00000
     80      -7.3213      1.00000
     81      -7.0923      1.00000
     82      -7.0133      1.00000
     83      -6.9433      1.00000
     84      -6.8832      1.00000
     85      -6.7469      1.00000
     86      -6.6966      1.00000
     87      -6.3584      1.00000
     88      -6.3425      1.00000
     89      -6.2399      1.00000
     90      -6.0185      1.00000
     91      -5.6949      1.00000
     92      -5.6122      1.00000
     93      -5.4646      1.00000
     94      -5.3798      1.00000
     95      -5.0769      1.00000
     96      -5.0354      1.00000
     97      -4.9757      1.00000
     98      -4.9459      1.00000
     99      -4.2190      1.00000
    100      -4.2091      1.00000
    101      -4.0051      1.00000
    102      -3.8657      1.00000
    103      -3.6690      1.00000
    104      -3.5640      1.00000
    105      -3.4137      1.00000
    106      -2.2341      0.00000
    107      -1.5820      0.00000
    108      -1.5272      0.00000
    109      -0.8498      0.00000
    110      -0.7701      0.00000
    111      -0.7501      0.00000
    112      -0.3999      0.00000
    113      -0.3986      0.00000
    114      -0.3598      0.00000
    115      -0.3465      0.00000
    116       0.4162      0.00000
    117       0.4729      0.00000
    118       0.8156      0.00000
    119       1.1266      0.00000
    120       1.1454      0.00000
    121       1.3084      0.00000
    122       1.4919      0.00000
    123       1.5182      0.00000
    124       1.6879      0.00000
    125       1.7705      0.00000
    126       1.8300      0.00000
    127       1.8467      0.00000
    128       1.9904      0.00000
    129       2.0570      0.00000
    130       2.1432      0.00000
    131       2.2671      0.00000
    132       2.4768      0.00000
    133       2.5044      0.00000
    134       2.5876      0.00000
    135       2.6676      0.00000
    136       2.7035      0.00000
    137       2.7634      0.00000
    138       2.9037      0.00000
    139       2.9203      0.00000
    140       3.0365      0.00000
    141       3.1163      0.00000
    142       3.2195      0.00000
    143       3.2474      0.00000
    144       3.4107      0.00000
    145       3.4437      0.00000
    146       3.4680      0.00000
    147       3.5557      0.00000
    148       3.6120      0.00000
    149       3.6720      0.00000
    150       3.7030      0.00000
    151       3.7330      0.00000
    152       3.7774      0.00000
    153       3.8231      0.00000
    154       3.9145      0.00000
    155       3.9214      0.00000
    156       3.9836      0.00000
    157       3.9950      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.1441      1.00000
      2     -21.3027      1.00000
      3     -21.2011      1.00000
      4     -21.1888      1.00000
      5     -21.1877      1.00000
      6     -21.1680      1.00000
      7     -21.1673      1.00000
      8     -19.4470      1.00000
      9     -19.3671      1.00000
     10     -19.3645      1.00000
     11     -19.3550      1.00000
     12     -19.3353      1.00000
     13     -19.3327      1.00000
     14     -18.5414      1.00000
     15     -18.4789      1.00000
     16     -18.4744      1.00000
     17     -18.4471      1.00000
     18     -18.4451      1.00000
     19     -18.4347      1.00000
     20     -16.4085      1.00000
     21     -16.3252      1.00000
     22     -16.3195      1.00000
     23     -16.3119      1.00000
     24     -16.2977      1.00000
     25     -16.2963      1.00000
     26     -15.3795      1.00000
     27     -15.3356      1.00000
     28     -15.3021      1.00000
     29     -15.2986      1.00000
     30     -15.2923      1.00000
     31     -15.2817      1.00000
     32     -14.0319      1.00000
     33     -13.9949      1.00000
     34     -13.9701      1.00000
     35     -13.9654      1.00000
     36     -13.9533      1.00000
     37     -13.9414      1.00000
     38     -11.7541      1.00000
     39     -11.6394      1.00000
     40     -11.6005      1.00000
     41     -11.5904      1.00000
     42     -11.5890      1.00000
     43     -11.5856      1.00000
     44     -11.5007      1.00000
     45     -11.5003      1.00000
     46     -11.4801      1.00000
     47     -11.4605      1.00000
     48     -11.4567      1.00000
     49     -11.4545      1.00000
     50     -10.4091      1.00000
     51     -10.1503      1.00000
     52     -10.1310      1.00000
     53     -10.1089      1.00000
     54     -10.1075      1.00000
     55     -10.0910      1.00000
     56     -10.0627      1.00000
     57      -9.5575      1.00000
     58      -9.2096      1.00000
     59      -9.1651      1.00000
     60      -9.1247      1.00000
     61      -9.1054      1.00000
     62      -9.1039      1.00000
     63      -8.9281      1.00000
     64      -8.8528      1.00000
     65      -8.8510      1.00000
     66      -8.8385      1.00000
     67      -8.8304      1.00000
     68      -8.8052      1.00000
     69      -8.8033      1.00000
     70      -8.7999      1.00000
     71      -8.7961      1.00000
     72      -8.7794      1.00000
     73      -8.7584      1.00000
     74      -8.7556      1.00000
     75      -7.5276      1.00000
     76      -7.3220      1.00000
     77      -7.2620      1.00000
     78      -7.2273      1.00000
     79      -7.1772      1.00000
     80      -7.1724      1.00000
     81      -7.1489      1.00000
     82      -7.1473      1.00000
     83      -6.9960      1.00000
     84      -6.9894      1.00000
     85      -6.9879      1.00000
     86      -6.9776      1.00000
     87      -6.4115      1.00000
     88      -6.3761      1.00000
     89      -6.1634      1.00000
     90      -6.1309      1.00000
     91      -6.0976      1.00000
     92      -6.0952      1.00000
     93      -5.7221      1.00000
     94      -5.6789      1.00000
     95      -5.0816      1.00000
     96      -4.7003      1.00000
     97      -4.3177      1.00000
     98      -4.2627      1.00000
     99      -4.1374      1.00000
    100      -4.1324      1.00000
    101      -4.0532      1.00000
    102      -3.9277      1.00000
    103      -3.5970      1.00000
    104      -3.5085      1.00000
    105      -3.4902      1.00000
    106      -2.3372      0.00000
    107      -1.3490      0.00000
    108      -1.3267      0.00000
    109      -1.3198      0.00000
    110      -1.3181      0.00000
    111      -1.2422      0.00000
    112      -1.2000      0.00000
    113       0.3389      0.00000
    114       0.4256      0.00000
    115       0.4744      0.00000
    116       0.5052      0.00000
    117       0.5226      0.00000
    118       0.5228      0.00000
    119       0.7498      0.00000
    120       1.3479      0.00000
    121       1.3793      0.00000
    122       1.3891      0.00000
    123       1.6694      0.00000
    124       1.8797      0.00000
    125       1.8887      0.00000
    126       1.9003      0.00000
    127       2.0778      0.00000
    128       2.1191      0.00000
    129       2.2228      0.00000
    130       2.2269      0.00000
    131       2.2330      0.00000
    132       2.2400      0.00000
    133       2.2624      0.00000
    134       2.3733      0.00000
    135       2.4561      0.00000
    136       2.5120      0.00000
    137       2.6249      0.00000
    138       2.6407      0.00000
    139       2.6743      0.00000
    140       2.8441      0.00000
    141       2.9308      0.00000
    142       2.9337      0.00000
    143       3.0097      0.00000
    144       3.0194      0.00000
    145       3.0383      0.00000
    146       3.0506      0.00000
    147       3.4420      0.00000
    148       3.4827      0.00000
    149       3.6133      0.00000
    150       3.8958      0.00000
    151       3.9184      0.00000
    152       3.9362      0.00000
    153       3.9476      0.00000
    154       3.9820      0.00000
    155       4.0349      0.00000
    156       4.0715      0.00000
    157       4.2259      0.00000

 k-point   2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -22.1070      1.00000
      2     -21.5470      1.00000
      3     -21.3672      1.00000
      4     -21.3348      1.00000
      5     -20.9969      1.00000
      6     -20.9614      1.00000
      7     -20.7877      1.00000
      8     -19.8949      1.00000
      9     -19.8564      1.00000
     10     -19.3466      1.00000
     11     -19.3152      1.00000
     12     -19.1497      1.00000
     13     -18.8257      1.00000
     14     -18.7895      1.00000
     15     -18.7777      1.00000
     16     -18.7647      1.00000
     17     -18.1013      1.00000
     18     -18.0749      1.00000
     19     -17.7542      1.00000
     20     -16.8152      1.00000
     21     -16.7593      1.00000
     22     -16.6886      1.00000
     23     -16.6706      1.00000
     24     -16.2128      1.00000
     25     -16.1892      1.00000
     26     -15.3623      1.00000
     27     -15.3317      1.00000
     28     -15.0094      1.00000
     29     -14.9681      1.00000
     30     -14.9095      1.00000
     31     -14.8314      1.00000
     32     -14.8027      1.00000
     33     -14.4428      1.00000
     34     -14.4244      1.00000
     35     -13.4802      1.00000
     36     -13.4546      1.00000
     37     -12.9768      1.00000
     38     -12.3728      1.00000
     39     -12.3194      1.00000
     40     -12.1935      1.00000
     41     -12.1752      1.00000
     42     -11.8828      1.00000
     43     -11.8434      1.00000
     44     -11.4725      1.00000
     45     -11.4164      1.00000
     46     -11.0061      1.00000
     47     -10.9657      1.00000
     48     -10.7800      1.00000
     49     -10.7437      1.00000
     50     -10.6812      1.00000
     51     -10.6367      1.00000
     52     -10.3056      1.00000
     53      -9.8998      1.00000
     54      -9.8984      1.00000
     55      -9.8517      1.00000
     56      -9.6909      1.00000
     57      -9.4771      1.00000
     58      -9.4429      1.00000
     59      -9.3821      1.00000
     60      -9.3550      1.00000
     61      -9.3156      1.00000
     62      -9.2665      1.00000
     63      -9.0618      1.00000
     64      -9.0458      1.00000
     65      -9.0013      1.00000
     66      -8.9512      1.00000
     67      -8.8866      1.00000
     68      -8.8521      1.00000
     69      -8.8399      1.00000
     70      -8.6812      1.00000
     71      -8.6142      1.00000
     72      -8.3714      1.00000
     73      -8.3395      1.00000
     74      -7.8574      1.00000
     75      -7.8157      1.00000
     76      -7.6391      1.00000
     77      -7.6034      1.00000
     78      -7.5037      1.00000
     79      -7.4964      1.00000
     80      -7.1521      1.00000
     81      -7.1307      1.00000
     82      -7.0945      1.00000
     83      -7.0515      1.00000
     84      -6.8593      1.00000
     85      -6.7671      1.00000
     86      -6.6314      1.00000
     87      -6.5383      1.00000
     88      -6.4269      1.00000
     89      -6.3691      1.00000
     90      -5.9167      1.00000
     91      -5.8918      1.00000
     92      -5.8733      1.00000
     93      -5.7552      1.00000
     94      -5.5437      1.00000
     95      -5.1394      1.00000
     96      -4.8138      1.00000
     97      -4.5244      1.00000
     98      -4.4345      1.00000
     99      -4.2566      1.00000
    100      -4.1736      1.00000
    101      -4.0539      1.00000
    102      -3.8887      1.00000
    103      -3.5659      1.00000
    104      -3.4916      1.00000
    105      -3.4629      1.00000
    106      -2.3528      0.00000
    107      -1.4921      0.00000
    108      -1.4274      0.00000
    109      -1.0672      0.00000
    110      -1.0489      0.00000
    111      -1.0188      0.00000
    112      -0.9858      0.00000
    113      -0.3642      0.00000
    114       0.0104      0.00000
    115       0.0390      0.00000
    116       0.7625      0.00000
    117       0.8574      0.00000
    118       0.9490      0.00000
    119       1.1043      0.00000
    120       1.2901      0.00000
    121       1.3451      0.00000
    122       1.4370      0.00000
    123       1.4693      0.00000
    124       1.5365      0.00000
    125       1.7049      0.00000
    126       1.7636      0.00000
    127       1.9503      0.00000
    128       1.9631      0.00000
    129       2.0811      0.00000
    130       2.1561      0.00000
    131       2.3191      0.00000
    132       2.3249      0.00000
    133       2.3459      0.00000
    134       2.4497      0.00000
    135       2.5766      0.00000
    136       2.7293      0.00000
    137       2.7646      0.00000
    138       2.7745      0.00000
    139       2.8252      0.00000
    140       2.9648      0.00000
    141       2.9776      0.00000
    142       3.0575      0.00000
    143       3.1072      0.00000
    144       3.1300      0.00000
    145       3.2729      0.00000
    146       3.2923      0.00000
    147       3.4347      0.00000
    148       3.4833      0.00000
    149       3.5536      0.00000
    150       3.6314      0.00000
    151       3.6658      0.00000
    152       3.7801      0.00000
    153       3.9449      0.00000
    154       4.0005      0.00000
    155       4.0662      0.00000
    156       4.0769      0.00000
    157       4.1318      0.00000

 k-point   3 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -21.9977      1.00000
      2     -21.8011      1.00000
      3     -21.4431      1.00000
      4     -21.4094      1.00000
      5     -20.7036      1.00000
      6     -20.6652      1.00000
      7     -20.3418      1.00000
      8     -20.3031      1.00000
      9     -20.2922      1.00000
     10     -19.7621      1.00000
     11     -19.2426      1.00000
     12     -19.2081      1.00000
     13     -19.0444      1.00000
     14     -19.0237      1.00000
     15     -18.1833      1.00000
     16     -18.1398      1.00000
     17     -17.6689      1.00000
     18     -17.6369      1.00000
     19     -17.4949      1.00000
     20     -17.4556      1.00000
     21     -17.1802      1.00000
     22     -17.1554      1.00000
     23     -17.0790      1.00000
     24     -16.2081      1.00000
     25     -16.1857      1.00000
     26     -15.6917      1.00000
     27     -15.1627      1.00000
     28     -15.1342      1.00000
     29     -14.8452      1.00000
     30     -14.8196      1.00000
     31     -14.6129      1.00000
     32     -14.5779      1.00000
     33     -14.0285      1.00000
     34     -13.9910      1.00000
     35     -13.1861      1.00000
     36     -13.1389      1.00000
     37     -12.9353      1.00000
     38     -12.9062      1.00000
     39     -12.7118      1.00000
     40     -12.6968      1.00000
     41     -12.3751      1.00000
     42     -12.3446      1.00000
     43     -11.9446      1.00000
     44     -11.3402      1.00000
     45     -11.2730      1.00000
     46     -11.0709      1.00000
     47     -11.0202      1.00000
     48     -10.8943      1.00000
     49     -10.4543      1.00000
     50     -10.4046      1.00000
     51     -10.2267      1.00000
     52     -10.0604      1.00000
     53     -10.0505      1.00000
     54      -9.9327      1.00000
     55      -9.8569      1.00000
     56      -9.8478      1.00000
     57      -9.5548      1.00000
     58      -9.5175      1.00000
     59      -9.4692      1.00000
     60      -9.4393      1.00000
     61      -9.4228      1.00000
     62      -9.3869      1.00000
     63      -9.1070      1.00000
     64      -9.0921      1.00000
     65      -9.0575      1.00000
     66      -8.7951      1.00000
     67      -8.7049      1.00000
     68      -8.6181      1.00000
     69      -8.5457      1.00000
     70      -8.3511      1.00000
     71      -8.2708      1.00000
     72      -8.1407      1.00000
     73      -8.1256      1.00000
     74      -8.0822      1.00000
     75      -8.0232      1.00000
     76      -8.0030      1.00000
     77      -7.9947      1.00000
     78      -7.9719      1.00000
     79      -7.5413      1.00000
     80      -7.1458      1.00000
     81      -7.1088      1.00000
     82      -7.0926      1.00000
     83      -6.9993      1.00000
     84      -6.9645      1.00000
     85      -6.7313      1.00000
     86      -6.7245      1.00000
     87      -6.3792      1.00000
     88      -6.3131      1.00000
     89      -6.0531      1.00000
     90      -5.9926      1.00000
     91      -5.8141      1.00000
     92      -5.5967      1.00000
     93      -5.4677      1.00000
     94      -5.2955      1.00000
     95      -5.1336      1.00000
     96      -5.0646      1.00000
     97      -4.9701      1.00000
     98      -4.9676      1.00000
     99      -4.3823      1.00000
    100      -4.1401      1.00000
    101      -4.0895      1.00000
    102      -3.8375      1.00000
    103      -3.6079      1.00000
    104      -3.4136      1.00000
    105      -3.3888      1.00000
    106      -2.3673      0.00000
    107      -1.5874      0.00000
    108      -1.4929      0.00000
    109      -0.8801      0.00000
    110      -0.7577      0.00000
    111      -0.7404      0.00000
    112      -0.3956      0.00000
    113      -0.3764      0.00000
    114      -0.3619      0.00000
    115      -0.3456      0.00000
    116       0.4092      0.00000
    117       0.4757      0.00000
    118       0.8212      0.00000
    119       1.1185      0.00000
    120       1.1447      0.00000
    121       1.3789      0.00000
    122       1.4886      0.00000
    123       1.5189      0.00000
    124       1.6665      0.00000
    125       1.7882      0.00000
    126       1.8112      0.00000
    127       1.8412      0.00000
    128       1.9456      0.00000
    129       2.1128      0.00000
    130       2.1336      0.00000
    131       2.1832      0.00000
    132       2.4542      0.00000
    133       2.4904      0.00000
    134       2.6055      0.00000
    135       2.6687      0.00000
    136       2.7081      0.00000
    137       2.7587      0.00000
    138       2.9000      0.00000
    139       2.9543      0.00000
    140       3.0407      0.00000
    141       3.1238      0.00000
    142       3.2297      0.00000
    143       3.2457      0.00000
    144       3.4349      0.00000
    145       3.4476      0.00000
    146       3.4722      0.00000
    147       3.5227      0.00000
    148       3.5992      0.00000
    149       3.6738      0.00000
    150       3.6952      0.00000
    151       3.7307      0.00000
    152       3.7864      0.00000
    153       3.8442      0.00000
    154       3.9083      0.00000
    155       3.9148      0.00000
    156       3.9935      0.00000
    157       4.0063      0.00000

 k-point   4 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0335      1.00000
      2     -21.6730      1.00000
      3     -21.6310      1.00000
      4     -21.1015      1.00000
      5     -21.0811      1.00000
      6     -20.5552      1.00000
      7     -20.5135      1.00000
      8     -20.3507      1.00000
      9     -19.8011      1.00000
     10     -19.8004      1.00000
     11     -19.4452      1.00000
     12     -19.4254      1.00000
     13     -18.7231      1.00000
     14     -18.7214      1.00000
     15     -18.3701      1.00000
     16     -18.3588      1.00000
     17     -18.1919      1.00000
     18     -17.4224      1.00000
     19     -17.3610      1.00000
     20     -17.3457      1.00000
     21     -17.3239      1.00000
     22     -16.8545      1.00000
     23     -16.8405      1.00000
     24     -16.6934      1.00000
     25     -15.7294      1.00000
     26     -15.6756      1.00000
     27     -15.3208      1.00000
     28     -15.3071      1.00000
     29     -15.0424      1.00000
     30     -14.5972      1.00000
     31     -14.5648      1.00000
     32     -14.3192      1.00000
     33     -14.2828      1.00000
     34     -13.9040      1.00000
     35     -13.9015      1.00000
     36     -12.8805      1.00000
     37     -12.8226      1.00000
     38     -12.7861      1.00000
     39     -12.7631      1.00000
     40     -12.4525      1.00000
     41     -12.4492      1.00000
     42     -12.0666      1.00000
     43     -12.0493      1.00000
     44     -11.4229      1.00000
     45     -11.3759      1.00000
     46     -11.3087      1.00000
     47     -10.7134      1.00000
     48     -10.6609      1.00000
     49     -10.4012      1.00000
     50     -10.3751      1.00000
     51     -10.2467      1.00000
     52     -10.2404      1.00000
     53     -10.1860      1.00000
     54     -10.1808      1.00000
     55     -10.0914      1.00000
     56      -9.8128      1.00000
     57      -9.6495      1.00000
     58      -9.3555      1.00000
     59      -9.2969      1.00000
     60      -9.2599      1.00000
     61      -9.1510      1.00000
     62      -9.1349      1.00000
     63      -9.1142      1.00000
     64      -9.0715      1.00000
     65      -9.0367      1.00000
     66      -8.9336      1.00000
     67      -8.8985      1.00000
     68      -8.8512      1.00000
     69      -8.6089      1.00000
     70      -8.5973      1.00000
     71      -8.4748      1.00000
     72      -8.3490      1.00000
     73      -8.1956      1.00000
     74      -7.9571      1.00000
     75      -7.9167      1.00000
     76      -7.6794      1.00000
     77      -7.6081      1.00000
     78      -7.5709      1.00000
     79      -7.5705      1.00000
     80      -7.4584      1.00000
     81      -7.4460      1.00000
     82      -7.2056      1.00000
     83      -7.1455      1.00000
     84      -6.6827      1.00000
     85      -6.6555      1.00000
     86      -6.5620      1.00000
     87      -6.4263      1.00000
     88      -6.1885      1.00000
     89      -6.1170      1.00000
     90      -6.0595      1.00000
     91      -5.9671      1.00000
     92      -5.7981      1.00000
     93      -5.4202      1.00000
     94      -5.2390      1.00000
     95      -5.2032      1.00000
     96      -5.1143      1.00000
     97      -4.9706      1.00000
     98      -4.5190      1.00000
     99      -4.4606      1.00000
    100      -4.1323      1.00000
    101      -4.0925      1.00000
    102      -3.9710      1.00000
    103      -3.5980      1.00000
    104      -3.5437      1.00000
    105      -3.1010      1.00000
    106      -2.4575      0.00000
    107      -1.8267      0.00000
    108      -1.0196      0.00000
    109      -0.9630      0.00000
    110      -0.9313      0.00000
    111      -0.6825      0.00000
    112      -0.6792      0.00000
    113      -0.5458      0.00000
    114      -0.5452      0.00000
    115       0.4303      0.00000
    116       0.4394      0.00000
    117       0.5307      0.00000
    118       0.7925      0.00000
    119       1.0134      0.00000
    120       1.0892      0.00000
    121       1.2489      0.00000
    122       1.2838      0.00000
    123       1.6091      0.00000
    124       1.6575      0.00000
    125       1.6974      0.00000
    126       1.8380      0.00000
    127       2.0238      0.00000
    128       2.0388      0.00000
    129       2.0574      0.00000
    130       2.2475      0.00000
    131       2.2743      0.00000
    132       2.3834      0.00000
    133       2.5269      0.00000
    134       2.5678      0.00000
    135       2.6816      0.00000
    136       2.7686      0.00000
    137       2.8025      0.00000
    138       2.8494      0.00000
    139       2.8570      0.00000
    140       3.1042      0.00000
    141       3.1179      0.00000
    142       3.1562      0.00000
    143       3.1686      0.00000
    144       3.2454      0.00000
    145       3.2971      0.00000
    146       3.4006      0.00000
    147       3.4416      0.00000
    148       3.5594      0.00000
    149       3.5948      0.00000
    150       3.7190      0.00000
    151       3.7563      0.00000
    152       3.8440      0.00000
    153       3.9269      0.00000
    154       3.9554      0.00000
    155       3.9828      0.00000
    156       4.0010      0.00000
    157       4.0980      0.00000

 k-point   5 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -21.9139      1.00000
      2     -21.8495      1.00000
      3     -21.6851      1.00000
      4     -21.1294      1.00000
      5     -20.7777      1.00000
      6     -20.7366      1.00000
      7     -20.2292      1.00000
      8     -20.1838      1.00000
      9     -20.0311      1.00000
     10     -19.9997      1.00000
     11     -19.6795      1.00000
     12     -19.6257      1.00000
     13     -18.6085      1.00000
     14     -18.5486      1.00000
     15     -18.0949      1.00000
     16     -18.0290      1.00000
     17     -17.8931      1.00000
     18     -17.8622      1.00000
     19     -17.5662      1.00000
     20     -17.5147      1.00000
     21     -17.0003      1.00000
     22     -16.9677      1.00000
     23     -16.9068      1.00000
     24     -16.8652      1.00000
     25     -15.8313      1.00000
     26     -15.6325      1.00000
     27     -15.5960      1.00000
     28     -15.5633      1.00000
     29     -14.9846      1.00000
     30     -14.3051      1.00000
     31     -14.2578      1.00000
     32     -14.0287      1.00000
     33     -13.7042      1.00000
     34     -13.6927      1.00000
     35     -13.5671      1.00000
     36     -13.5395      1.00000
     37     -13.3636      1.00000
     38     -13.3026      1.00000
     39     -13.0945      1.00000
     40     -12.3582      1.00000
     41     -11.9544      1.00000
     42     -11.8700      1.00000
     43     -11.8123      1.00000
     44     -11.7565      1.00000
     45     -11.4314      1.00000
     46     -11.3952      1.00000
     47     -10.9112      1.00000
     48     -10.8565      1.00000
     49     -10.5561      1.00000
     50     -10.4721      1.00000
     51     -10.1854      1.00000
     52      -9.9640      1.00000
     53      -9.9415      1.00000
     54      -9.9023      1.00000
     55      -9.7614      1.00000
     56      -9.7591      1.00000
     57      -9.7140      1.00000
     58      -9.5624      1.00000
     59      -9.5373      1.00000
     60      -9.5130      1.00000
     61      -9.4994      1.00000
     62      -9.2059      1.00000
     63      -9.1125      1.00000
     64      -8.8591      1.00000
     65      -8.8148      1.00000
     66      -8.7766      1.00000
     67      -8.6686      1.00000
     68      -8.6083      1.00000
     69      -8.4717      1.00000
     70      -8.4387      1.00000
     71      -8.3313      1.00000
     72      -8.2818      1.00000
     73      -8.2327      1.00000
     74      -8.2020      1.00000
     75      -8.1155      1.00000
     76      -7.9746      1.00000
     77      -7.8414      1.00000
     78      -7.7691      1.00000
     79      -7.6533      1.00000
     80      -7.5120      1.00000
     81      -7.3622      1.00000
     82      -7.2786      1.00000
     83      -6.7753      1.00000
     84      -6.6817      1.00000
     85      -6.6262      1.00000
     86      -6.5478      1.00000
     87      -6.3214      1.00000
     88      -6.2362      1.00000
     89      -6.1678      1.00000
     90      -5.9963      1.00000
     91      -5.7446      1.00000
     92      -5.5776      1.00000
     93      -5.5383      1.00000
     94      -5.3469      1.00000
     95      -5.1835      1.00000
     96      -5.0058      1.00000
     97      -4.9741      1.00000
     98      -4.9670      1.00000
     99      -4.5554      1.00000
    100      -4.1339      1.00000
    101      -4.0848      1.00000
    102      -3.9630      1.00000
    103      -3.6194      1.00000
    104      -3.5721      1.00000
    105      -2.9282      1.00000
    106      -2.4570      0.00000
    107      -2.0175      0.00000
    108      -0.9623      0.00000
    109      -0.9311      0.00000
    110      -0.9060      0.00000
    111      -0.8788      0.00000
    112      -0.2449      0.00000
    113      -0.2294      0.00000
    114      -0.0720      0.00000
    115      -0.0613      0.00000
    116       0.1952      0.00000
    117       0.2605      0.00000
    118       0.7398      0.00000
    119       0.8329      0.00000
    120       0.8893      0.00000
    121       1.0520      0.00000
    122       1.3025      0.00000
    123       1.5667      0.00000
    124       1.6683      0.00000
    125       1.7776      0.00000
    126       1.9621      0.00000
    127       2.0482      0.00000
    128       2.0993      0.00000
    129       2.1632      0.00000
    130       2.3147      0.00000
    131       2.3441      0.00000
    132       2.4894      0.00000
    133       2.5176      0.00000
    134       2.7297      0.00000
    135       2.7449      0.00000
    136       2.9604      0.00000
    137       2.9769      0.00000
    138       2.9985      0.00000
    139       3.0637      0.00000
    140       3.1025      0.00000
    141       3.1485      0.00000
    142       3.1709      0.00000
    143       3.1968      0.00000
    144       3.2647      0.00000
    145       3.4039      0.00000
    146       3.4233      0.00000
    147       3.4353      0.00000
    148       3.4582      0.00000
    149       3.5391      0.00000
    150       3.6004      0.00000
    151       3.6163      0.00000
    152       3.6448      0.00000
    153       3.6925      0.00000
    154       3.8328      0.00000
    155       3.9075      0.00000
    156       3.9468      0.00000
    157       4.0066      0.00000

 k-point   6 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.0330      1.00000
      2     -21.6801      1.00000
      3     -21.6240      1.00000
      4     -21.1118      1.00000
      5     -21.0709      1.00000
      6     -20.5615      1.00000
      7     -20.5066      1.00000
      8     -20.3494      1.00000
      9     -19.8234      1.00000
     10     -19.7817      1.00000
     11     -19.4525      1.00000
     12     -19.4153      1.00000
     13     -18.7459      1.00000
     14     -18.7014      1.00000
     15     -18.3896      1.00000
     16     -18.3425      1.00000
     17     -18.1908      1.00000
     18     -17.4108      1.00000
     19     -17.3639      1.00000
     20     -17.3393      1.00000
     21     -17.3150      1.00000
     22     -16.8809      1.00000
     23     -16.8244      1.00000
     24     -16.7100      1.00000
     25     -15.7571      1.00000
     26     -15.6444      1.00000
     27     -15.3418      1.00000
     28     -15.3008      1.00000
     29     -15.0078      1.00000
     30     -14.6285      1.00000
     31     -14.5598      1.00000
     32     -14.3145      1.00000
     33     -14.2732      1.00000
     34     -13.9046      1.00000
     35     -13.8920      1.00000
     36     -12.9318      1.00000
     37     -12.8248      1.00000
     38     -12.7670      1.00000
     39     -12.7512      1.00000
     40     -12.4755      1.00000
     41     -12.4279      1.00000
     42     -12.0713      1.00000
     43     -12.0519      1.00000
     44     -11.3940      1.00000
     45     -11.3615      1.00000
     46     -11.2988      1.00000
     47     -10.6915      1.00000
     48     -10.6730      1.00000
     49     -10.4814      1.00000
     50     -10.3351      1.00000
     51     -10.3103      1.00000
     52     -10.2379      1.00000
     53     -10.2003      1.00000
     54     -10.1467      1.00000
     55     -10.0890      1.00000
     56      -9.8088      1.00000
     57      -9.6447      1.00000
     58      -9.3720      1.00000
     59      -9.2927      1.00000
     60      -9.2202      1.00000
     61      -9.1703      1.00000
     62      -9.1433      1.00000
     63      -9.1122      1.00000
     64      -9.0750      1.00000
     65      -9.0230      1.00000
     66      -8.9115      1.00000
     67      -8.8662      1.00000
     68      -8.8482      1.00000
     69      -8.6156      1.00000
     70      -8.6031      1.00000
     71      -8.4864      1.00000
     72      -8.3377      1.00000
     73      -8.2293      1.00000
     74      -7.9486      1.00000
     75      -7.9199      1.00000
     76      -7.7242      1.00000
     77      -7.6123      1.00000
     78      -7.5713      1.00000
     79      -7.5168      1.00000
     80      -7.4679      1.00000
     81      -7.4263      1.00000
     82      -7.2352      1.00000
     83      -7.1131      1.00000
     84      -6.7139      1.00000
     85      -6.6582      1.00000
     86      -6.5758      1.00000
     87      -6.3748      1.00000
     88      -6.1696      1.00000
     89      -6.1160      1.00000
     90      -6.0572      1.00000
     91      -5.9451      1.00000
     92      -5.8616      1.00000
     93      -5.5627      1.00000
     94      -5.3429      1.00000
     95      -5.1308      1.00000
     96      -4.9716      1.00000
     97      -4.8353      1.00000
     98      -4.5774      1.00000
     99      -4.4948      1.00000
    100      -4.1633      1.00000
    101      -4.0356      1.00000
    102      -3.9040      1.00000
    103      -3.6459      1.00000
    104      -3.5786      1.00000
    105      -3.2383      1.00000
    106      -2.2805      0.00000
    107      -1.8789      0.00000
    108      -1.0404      0.00000
    109      -0.9627      0.00000
    110      -0.9311      0.00000
    111      -0.6846      0.00000
    112      -0.6531      0.00000
    113      -0.5527      0.00000
    114      -0.5402      0.00000
    115       0.3423      0.00000
    116       0.4687      0.00000
    117       0.5204      0.00000
    118       0.8079      0.00000
    119       1.0746      0.00000
    120       1.1145      0.00000
    121       1.1717      0.00000
    122       1.3296      0.00000
    123       1.6053      0.00000
    124       1.6359      0.00000
    125       1.6988      0.00000
    126       1.8405      0.00000
    127       2.0197      0.00000
    128       2.0353      0.00000
    129       2.0535      0.00000
    130       2.2563      0.00000
    131       2.3115      0.00000
    132       2.3921      0.00000
    133       2.5130      0.00000
    134       2.5438      0.00000
    135       2.6884      0.00000
    136       2.7785      0.00000
    137       2.8090      0.00000
    138       2.8311      0.00000
    139       2.8705      0.00000
    140       3.0761      0.00000
    141       3.1121      0.00000
    142       3.1562      0.00000
    143       3.1706      0.00000
    144       3.2522      0.00000
    145       3.3079      0.00000
    146       3.4102      0.00000
    147       3.4651      0.00000
    148       3.5447      0.00000
    149       3.5775      0.00000
    150       3.7289      0.00000
    151       3.7581      0.00000
    152       3.8303      0.00000
    153       3.9420      0.00000
    154       3.9522      0.00000
    155       3.9835      0.00000
    156       4.0005      0.00000
    157       4.0749      0.00000

 k-point   7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -22.1068      1.00000
      2     -21.5488      1.00000
      3     -21.3621      1.00000
      4     -21.3377      1.00000
      5     -20.9958      1.00000
      6     -20.9648      1.00000
      7     -20.7856      1.00000
      8     -19.8925      1.00000
      9     -19.8587      1.00000
     10     -19.3485      1.00000
     11     -19.3186      1.00000
     12     -19.1431      1.00000
     13     -18.8334      1.00000
     14     -18.7930      1.00000
     15     -18.7723      1.00000
     16     -18.7616      1.00000
     17     -18.1022      1.00000
     18     -18.0787      1.00000
     19     -17.7456      1.00000
     20     -16.8030      1.00000
     21     -16.7586      1.00000
     22     -16.6931      1.00000
     23     -16.6741      1.00000
     24     -16.2297      1.00000
     25     -16.1955      1.00000
     26     -15.3481      1.00000
     27     -15.3262      1.00000
     28     -14.9738      1.00000
     29     -14.9626      1.00000
     30     -14.9409      1.00000
     31     -14.8488      1.00000
     32     -14.8018      1.00000
     33     -14.4427      1.00000
     34     -14.4212      1.00000
     35     -13.4775      1.00000
     36     -13.4492      1.00000
     37     -12.9808      1.00000
     38     -12.4123      1.00000
     39     -12.3156      1.00000
     40     -12.1934      1.00000
     41     -12.1802      1.00000
     42     -11.8484      1.00000
     43     -11.8302      1.00000
     44     -11.4591      1.00000
     45     -11.4135      1.00000
     46     -11.0546      1.00000
     47     -10.9631      1.00000
     48     -10.7644      1.00000
     49     -10.7406      1.00000
     50     -10.6665      1.00000
     51     -10.6249      1.00000
     52     -10.3338      1.00000
     53      -9.9797      1.00000
     54      -9.8887      1.00000
     55      -9.8312      1.00000
     56      -9.6617      1.00000
     57      -9.4373      1.00000
     58      -9.4329      1.00000
     59      -9.4000      1.00000
     60      -9.3719      1.00000
     61      -9.3036      1.00000
     62      -9.2611      1.00000
     63      -9.0758      1.00000
     64      -9.0377      1.00000
     65      -8.9914      1.00000
     66      -8.9785      1.00000
     67      -8.8672      1.00000
     68      -8.8600      1.00000
     69      -8.8454      1.00000
     70      -8.6808      1.00000
     71      -8.6128      1.00000
     72      -8.3395      1.00000
     73      -8.3355      1.00000
     74      -7.9111      1.00000
     75      -7.8070      1.00000
     76      -7.6497      1.00000
     77      -7.5641      1.00000
     78      -7.5332      1.00000
     79      -7.4870      1.00000
     80      -7.2329      1.00000
     81      -7.0580      1.00000
     82      -7.0377      1.00000
     83      -7.0015      1.00000
     84      -6.9614      1.00000
     85      -6.7481      1.00000
     86      -6.6416      1.00000
     87      -6.5124      1.00000
     88      -6.4533      1.00000
     89      -6.3710      1.00000
     90      -5.9458      1.00000
     91      -5.8664      1.00000
     92      -5.8404      1.00000
     93      -5.7121      1.00000
     94      -5.6719      1.00000
     95      -5.1331      1.00000
     96      -4.6951      1.00000
     97      -4.5876      1.00000
     98      -4.4265      1.00000
     99      -4.2388      1.00000
    100      -4.2192      1.00000
    101      -3.8935      1.00000
    102      -3.8565      1.00000
    103      -3.7647      1.00000
    104      -3.5128      1.00000
    105      -3.4682      1.00000
    106      -2.2803      0.00000
    107      -1.4946      0.00000
    108      -1.4371      0.00000
    109      -1.0832      0.00000
    110      -1.0562      0.00000
    111      -1.0443      0.00000
    112      -0.9521      0.00000
    113      -0.3377      0.00000
    114      -0.0054      0.00000
    115       0.0204      0.00000
    116       0.7436      0.00000
    117       0.8761      0.00000
    118       0.9188      0.00000
    119       1.1734      0.00000
    120       1.2946      0.00000
    121       1.3864      0.00000
    122       1.3901      0.00000
    123       1.4282      0.00000
    124       1.5382      0.00000
    125       1.7061      0.00000
    126       1.7604      0.00000
    127       1.9388      0.00000
    128       1.9684      0.00000
    129       2.1271      0.00000
    130       2.1380      0.00000
    131       2.3222      0.00000
    132       2.3270      0.00000
    133       2.3523      0.00000
    134       2.4448      0.00000
    135       2.5833      0.00000
    136       2.7376      0.00000
    137       2.7597      0.00000
    138       2.7732      0.00000
    139       2.8080      0.00000
    140       2.9242      0.00000
    141       2.9796      0.00000
    142       3.0715      0.00000
    143       3.1352      0.00000
    144       3.1741      0.00000
    145       3.2640      0.00000
    146       3.2816      0.00000
    147       3.4165      0.00000
    148       3.4501      0.00000
    149       3.5612      0.00000
    150       3.6448      0.00000
    151       3.6621      0.00000
    152       3.7728      0.00000
    153       3.9575      0.00000
    154       3.9580      0.00000
    155       4.0690      0.00000
    156       4.0810      0.00000
    157       4.2020      0.00000

 k-point   8 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9092      1.00000
      2     -21.8562      1.00000
      3     -21.6832      1.00000
      4     -21.1301      1.00000
      5     -20.7667      1.00000
      6     -20.7472      1.00000
      7     -20.2181      1.00000
      8     -20.1955      1.00000
      9     -20.0159      1.00000
     10     -20.0140      1.00000
     11     -19.6722      1.00000
     12     -19.6333      1.00000
     13     -18.6086      1.00000
     14     -18.5569      1.00000
     15     -18.0634      1.00000
     16     -18.0473      1.00000
     17     -17.8825      1.00000
     18     -17.8775      1.00000
     19     -17.5451      1.00000
     20     -17.5300      1.00000
     21     -17.0043      1.00000
     22     -16.9763      1.00000
     23     -16.8891      1.00000
     24     -16.8712      1.00000
     25     -15.8627      1.00000
     26     -15.6027      1.00000
     27     -15.5972      1.00000
     28     -15.5833      1.00000
     29     -14.9595      1.00000
     30     -14.2894      1.00000
     31     -14.2712      1.00000
     32     -14.0051      1.00000
     33     -13.7365      1.00000
     34     -13.6990      1.00000
     35     -13.5629      1.00000
     36     -13.5527      1.00000
     37     -13.3408      1.00000
     38     -13.3106      1.00000
     39     -13.0990      1.00000
     40     -12.3824      1.00000
     41     -11.9106      1.00000
     42     -11.8881      1.00000
     43     -11.7880      1.00000
     44     -11.7564      1.00000
     45     -11.4228      1.00000
     46     -11.4136      1.00000
     47     -10.9080      1.00000
     48     -10.8765      1.00000
     49     -10.5361      1.00000
     50     -10.4723      1.00000
     51     -10.2200      1.00000
     52      -9.9489      1.00000
     53      -9.9370      1.00000
     54      -9.9190      1.00000
     55      -9.7775      1.00000
     56      -9.7334      1.00000
     57      -9.7140      1.00000
     58      -9.5756      1.00000
     59      -9.5361      1.00000
     60      -9.5171      1.00000
     61      -9.5010      1.00000
     62      -9.2005      1.00000
     63      -9.1134      1.00000
     64      -8.8478      1.00000
     65      -8.8046      1.00000
     66      -8.7468      1.00000
     67      -8.7057      1.00000
     68      -8.5966      1.00000
     69      -8.4534      1.00000
     70      -8.4427      1.00000
     71      -8.3128      1.00000
     72      -8.2912      1.00000
     73      -8.2089      1.00000
     74      -8.2036      1.00000
     75      -8.0855      1.00000
     76      -8.0451      1.00000
     77      -7.8378      1.00000
     78      -7.8019      1.00000
     79      -7.6990      1.00000
     80      -7.4394      1.00000
     81      -7.3663      1.00000
     82      -7.2506      1.00000
     83      -6.8271      1.00000
     84      -6.7097      1.00000
     85      -6.6320      1.00000
     86      -6.3856      1.00000
     87      -6.3056      1.00000
     88      -6.2660      1.00000
     89      -6.2000      1.00000
     90      -6.1280      1.00000
     91      -5.7515      1.00000
     92      -5.5564      1.00000
     93      -5.5180      1.00000
     94      -5.3664      1.00000
     95      -5.1649      1.00000
     96      -4.9859      1.00000
     97      -4.9781      1.00000
     98      -4.9429      1.00000
     99      -4.5077      1.00000
    100      -4.1358      1.00000
    101      -4.0647      1.00000
    102      -3.9834      1.00000
    103      -3.6354      1.00000
    104      -3.5938      1.00000
    105      -3.0551      1.00000
    106      -2.2003      0.00000
    107      -2.1541      0.00000
    108      -0.9305      0.00000
    109      -0.9220      0.00000
    110      -0.9135      0.00000
    111      -0.9020      0.00000
    112      -0.2437      0.00000
    113      -0.2363      0.00000
    114      -0.0932      0.00000
    115      -0.0697      0.00000
    116       0.2317      0.00000
    117       0.2408      0.00000
    118       0.7191      0.00000
    119       0.8202      0.00000
    120       0.9488      0.00000
    121       1.0245      0.00000
    122       1.2810      0.00000
    123       1.6018      0.00000
    124       1.6422      0.00000
    125       1.7794      0.00000
    126       1.9663      0.00000
    127       2.0487      0.00000
    128       2.0883      0.00000
    129       2.1566      0.00000
    130       2.3217      0.00000
    131       2.3843      0.00000
    132       2.4889      0.00000
    133       2.5161      0.00000
    134       2.7248      0.00000
    135       2.8306      0.00000
    136       2.9238      0.00000
    137       2.9697      0.00000
    138       2.9987      0.00000
    139       3.0307      0.00000
    140       3.1014      0.00000
    141       3.1233      0.00000
    142       3.1916      0.00000
    143       3.1974      0.00000
    144       3.2813      0.00000
    145       3.3833      0.00000
    146       3.4147      0.00000
    147       3.4380      0.00000
    148       3.4770      0.00000
    149       3.5038      0.00000
    150       3.5997      0.00000
    151       3.6175      0.00000
    152       3.6406      0.00000
    153       3.6667      0.00000
    154       3.8356      0.00000
    155       3.9503      0.00000
    156       3.9594      0.00000
    157       4.0020      0.00000

 k-point   9 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -21.9965      1.00000
      2     -21.8036      1.00000
      3     -21.4388      1.00000
      4     -21.4125      1.00000
      5     -20.7011      1.00000
      6     -20.6680      1.00000
      7     -20.3313      1.00000
      8     -20.3062      1.00000
      9     -20.2985      1.00000
     10     -19.7615      1.00000
     11     -19.2401      1.00000
     12     -19.2102      1.00000
     13     -19.0466      1.00000
     14     -19.0295      1.00000
     15     -18.1733      1.00000
     16     -18.1409      1.00000
     17     -17.6675      1.00000
     18     -17.6414      1.00000
     19     -17.4895      1.00000
     20     -17.4547      1.00000
     21     -17.1819      1.00000
     22     -17.1577      1.00000
     23     -17.0678      1.00000
     24     -16.2288      1.00000
     25     -16.1906      1.00000
     26     -15.7076      1.00000
     27     -15.1515      1.00000
     28     -15.1293      1.00000
     29     -14.8408      1.00000
     30     -14.8155      1.00000
     31     -14.5799      1.00000
     32     -14.5706      1.00000
     33     -14.0582      1.00000
     34     -13.9887      1.00000
     35     -13.2163      1.00000
     36     -13.1355      1.00000
     37     -12.9261      1.00000
     38     -12.8993      1.00000
     39     -12.7279      1.00000
     40     -12.7052      1.00000
     41     -12.3600      1.00000
     42     -12.3363      1.00000
     43     -11.9468      1.00000
     44     -11.3179      1.00000
     45     -11.2674      1.00000
     46     -11.0509      1.00000
     47     -11.0124      1.00000
     48     -10.9049      1.00000
     49     -10.5277      1.00000
     50     -10.4041      1.00000
     51     -10.2234      1.00000
     52     -10.0520      1.00000
     53     -10.0514      1.00000
     54      -9.9413      1.00000
     55      -9.8657      1.00000
     56      -9.8292      1.00000
     57      -9.5783      1.00000
     58      -9.4882      1.00000
     59      -9.4575      1.00000
     60      -9.4438      1.00000
     61      -9.4373      1.00000
     62      -9.3854      1.00000
     63      -9.1108      1.00000
     64      -9.0890      1.00000
     65      -9.0596      1.00000
     66      -8.7394      1.00000
     67      -8.7036      1.00000
     68      -8.6532      1.00000
     69      -8.5250      1.00000
     70      -8.3326      1.00000
     71      -8.2815      1.00000
     72      -8.1731      1.00000
     73      -8.1321      1.00000
     74      -8.0415      1.00000
     75      -8.0307      1.00000
     76      -7.9981      1.00000
     77      -7.9791      1.00000
     78      -7.9696      1.00000
     79      -7.5648      1.00000
     80      -7.3213      1.00000
     81      -7.0923      1.00000
     82      -7.0133      1.00000
     83      -6.9433      1.00000
     84      -6.8832      1.00000
     85      -6.7469      1.00000
     86      -6.6966      1.00000
     87      -6.3584      1.00000
     88      -6.3425      1.00000
     89      -6.2399      1.00000
     90      -6.0185      1.00000
     91      -5.6949      1.00000
     92      -5.6122      1.00000
     93      -5.4646      1.00000
     94      -5.3798      1.00000
     95      -5.0769      1.00000
     96      -5.0354      1.00000
     97      -4.9757      1.00000
     98      -4.9459      1.00000
     99      -4.2190      1.00000
    100      -4.2091      1.00000
    101      -4.0051      1.00000
    102      -3.8657      1.00000
    103      -3.6690      1.00000
    104      -3.5640      1.00000
    105      -3.4137      1.00000
    106      -2.2341      0.00000
    107      -1.5820      0.00000
    108      -1.5272      0.00000
    109      -0.8498      0.00000
    110      -0.7701      0.00000
    111      -0.7501      0.00000
    112      -0.3999      0.00000
    113      -0.3986      0.00000
    114      -0.3598      0.00000
    115      -0.3465      0.00000
    116       0.4162      0.00000
    117       0.4729      0.00000
    118       0.8156      0.00000
    119       1.1267      0.00000
    120       1.1454      0.00000
    121       1.3084      0.00000
    122       1.4919      0.00000
    123       1.5182      0.00000
    124       1.6879      0.00000
    125       1.7705      0.00000
    126       1.8300      0.00000
    127       1.8467      0.00000
    128       1.9904      0.00000
    129       2.0570      0.00000
    130       2.1432      0.00000
    131       2.2671      0.00000
    132       2.4768      0.00000
    133       2.5044      0.00000
    134       2.5876      0.00000
    135       2.6675      0.00000
    136       2.7035      0.00000
    137       2.7634      0.00000
    138       2.9037      0.00000
    139       2.9203      0.00000
    140       3.0365      0.00000
    141       3.1162      0.00000
    142       3.2195      0.00000
    143       3.2474      0.00000
    144       3.4107      0.00000
    145       3.4437      0.00000
    146       3.4680      0.00000
    147       3.5557      0.00000
    148       3.6120      0.00000
    149       3.6720      0.00000
    150       3.7030      0.00000
    151       3.7329      0.00000
    152       3.7774      0.00000
    153       3.8231      0.00000
    154       3.9145      0.00000
    155       3.9214      0.00000
    156       3.9835      0.00000
    157       3.9949      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
x   201.9331   -5.4103    2.9939   -0.8966   -0.1690   17.4748    0.2910   -0.5574    0.5508   -0.3593
x    -3.1416   -0.0291   -0.0382    0.0123    0.0420   -2.9984   -0.0155   -0.0036    0.0039    0.0014
x    -0.0956   -0.0030    0.0036   -0.0029    0.0018   -0.0239    0.0000    0.0000   -0.0002    0.0002
x    -0.0036   -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y   201.9331    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000   -0.0035    0.0001    0.0017    0.0004    0.0005   -0.0956   -0.0296    0.0661   -0.0267
y     0.1044   -3.1651   -0.3995    0.0268   -1.2391   -0.4614
z   201.9331    1.0074   -0.0119    0.0009    0.0260    0.0792   -0.0029   -0.0003    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0835    0.0054   -0.0005    0.0003    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000   -0.0010   -0.0002   -0.0002   -0.0001
z    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000  -16.3434
z    -0.4444    0.1646    0.0416    0.1375   -0.0893   -0.0010
 total charge-density along one line
x   210.0000   -8.3413    5.0148   -1.7404   -0.4164   19.4469   -0.9313    0.5351   -0.2049    0.0365
x    -2.7281   -0.0136   -0.0238    0.0180    0.0116   -2.2549   -0.0212   -0.0016    0.0040    0.0015
x    -0.0860   -0.0025    0.0040   -0.0041    0.0030   -0.0365    0.0000    0.0001   -0.0002    0.0001
x    -0.0057    0.0000   -0.0001    0.0001    0.0000    0.0012    0.0001    0.0000   -0.0001    0.0001
x    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    0.0000    0.0000    0.0000
x     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
x    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y   210.0000   -8.3413    5.0148   -1.7404   -0.4164   19.4469   -0.9313    0.5351   -0.2049    0.0365
y    -2.7281   -0.0136   -0.0238    0.0180    0.0116   -2.2549   -0.0212   -0.0016    0.0040    0.0015
y    -0.0860   -0.0025    0.0040   -0.0041    0.0030   -0.0365    0.0000    0.0001   -0.0002    0.0001
y    -0.0057    0.0000   -0.0001    0.0001    0.0000    0.0012    0.0001    0.0000   -0.0001    0.0001
y    -0.0004    0.0000    0.0000    0.0000    0.0000   -0.0004    0.0000    0.0000    0.0000    0.0000
y     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z   210.0000 -204.7489  190.8043 -172.4496  153.9321 -137.4604  122.8754 -108.7893   94.0802  -78.7336
z    63.7245  -50.3030   39.2851  -30.7609   24.2584  -19.1305   14.8808  -11.2790    8.2865   -5.9122
z     4.1150   -2.7898    1.8110   -1.0791    0.5359   -0.1499   -0.1058    0.2640   -0.3586    0.4137
z    -0.4401    0.4392   -0.4130    0.3687   -0.3179    0.2709   -0.2319    0.1999   -0.1711    0.1434
z    -0.1171    0.0944   -0.0766    0.0634   -0.0532    0.0445   -0.0367    0.0302   -0.0252    0.0215
z    -0.0185    0.0156   -0.0128    0.0103   -0.0084    0.0069   -0.0056    0.0043   -0.0031    0.0021
z    -0.0014    0.0009   -0.0005    0.0001    0.0002   -0.0004    0.0005   -0.0004    0.0004   -0.0004
z     0.0004   -0.0003    0.0002    0.0000   -0.0001    0.0001   -0.0001    0.0001   -0.0002    0.0002
z    -0.0002    0.0002   -0.0001    0.0001   -0.0001    0.0001    0.0000    0.0000    0.0000   -0.0001
z     0.0001    0.0000    0.0001   -0.0001    0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
 total charge-density along one line
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
x     0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
y     0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
z     0.0000    0.0000    0.0000
 
 pseudopotential strength for first ion, spin component:           1
-10.763   0.000  -0.011   0.000   0.001   0.173   0.000   0.002
  0.000 -10.956   0.000   0.049   0.000   0.000   0.197   0.000
 -0.011   0.000 -11.077   0.000   0.006   0.002   0.000   0.211
  0.000   0.049   0.000 -11.013   0.000   0.000  -0.006   0.000
  0.001   0.000   0.006   0.000 -10.761   0.000   0.000  -0.001
  0.173   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.197   0.000  -0.006   0.000   0.000   0.176   0.000
  0.002   0.000   0.211   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.006   0.000   0.204   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.173   0.000   0.000   0.000
 -0.020   0.000   0.093   0.000   0.012   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.029   0.000  -0.001   0.000   0.000  -0.004   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.031   0.000   0.000   0.000   0.000
  0.000  -0.022   0.000   0.000   0.000   0.000   0.003   0.000
  0.000   0.000  -0.022   0.000   0.000   0.000   0.000   0.003
  0.000   0.000   0.000  -0.023   0.000   0.000   0.000   0.000
 pseudopotential strength for first ion, spin component:           2
-10.763   0.000  -0.011   0.000   0.001   0.173   0.000   0.002
  0.000 -10.956   0.000   0.049   0.000   0.000   0.197   0.000
 -0.011   0.000 -11.077   0.000   0.006   0.002   0.000   0.211
  0.000   0.049   0.000 -11.013   0.000   0.000  -0.006   0.000
  0.001   0.000   0.006   0.000 -10.761   0.000   0.000  -0.001
  0.173   0.000   0.002   0.000   0.000   0.179   0.000   0.000
  0.000   0.197   0.000  -0.006   0.000   0.000   0.176   0.000
  0.002   0.000   0.211   0.000  -0.001   0.000   0.000   0.175
  0.000  -0.006   0.000   0.204   0.000   0.000   0.001   0.000
  0.000   0.000  -0.001   0.000   0.173   0.000   0.000   0.000
 -0.020   0.000   0.093   0.000   0.012   0.001   0.000  -0.005
  0.001   0.000  -0.006   0.000  -0.001   0.000   0.000   0.000
  0.000   0.029   0.000  -0.001   0.000   0.000  -0.004   0.000
 -0.001   0.000   0.030   0.000   0.001   0.000   0.000  -0.004
  0.000  -0.001   0.000   0.031   0.000   0.000   0.000   0.000
  0.000  -0.022   0.000   0.000   0.000   0.000   0.003   0.000
  0.000   0.000  -0.022   0.000   0.000   0.000   0.000   0.003
  0.000   0.000   0.000  -0.023   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  1.937   0.000   0.063   0.000   0.004   0.097   0.000  -0.030   0.000  -0.009   0.096  -0.013   0.000   0.037   0.000   0.000
  0.000   1.880   0.000   0.110   0.000   0.000   0.216   0.000  -0.090   0.000   0.000   0.000   0.004   0.000   0.024   0.034
  0.063   0.000   1.727   0.000  -0.037  -0.015   0.000   0.307   0.000   0.008  -0.338   0.069   0.000  -0.089   0.000   0.000
  0.000   0.110   0.000   1.764   0.000   0.000  -0.090   0.000   0.316   0.000   0.000   0.000   0.025   0.000  -0.020  -0.001
  0.004   0.000  -0.037   0.000   1.944  -0.009   0.000   0.016   0.000   0.085  -0.087   0.004   0.000  -0.028   0.000   0.000
  0.097   0.000  -0.015   0.000  -0.009   0.035   0.000  -0.044   0.000   0.004  -0.080   0.032   0.000   0.026   0.000   0.000
  0.000   0.216   0.000  -0.090   0.000   0.000   0.157   0.000  -0.086   0.000   0.000   0.000  -0.050   0.000   0.029   0.006
 -0.030   0.000   0.307   0.000   0.016  -0.044   0.000   0.534   0.000   0.026   0.458  -0.287   0.000  -0.220   0.000   0.000
  0.000  -0.090   0.000   0.316   0.000   0.000  -0.086   0.000   0.258   0.000   0.000   0.000   0.029   0.000  -0.084  -0.003
 -0.009   0.000   0.008   0.000   0.085   0.004   0.000   0.026   0.000   0.041   0.053  -0.018   0.000  -0.014   0.000   0.000
  0.096   0.000  -0.338   0.000  -0.087  -0.080   0.000   0.458   0.000   0.053   0.943  -0.353   0.000  -0.218   0.000   0.000
 -0.013   0.000   0.069   0.000   0.004   0.032   0.000  -0.287   0.000  -0.018  -0.353   0.240   0.000   0.141   0.000   0.000
  0.000   0.004   0.000   0.025   0.000   0.000  -0.050   0.000   0.029   0.000   0.000   0.000   0.021   0.000  -0.011  -0.001
  0.037   0.000  -0.089   0.000  -0.028   0.026   0.000  -0.220   0.000  -0.014  -0.218   0.141   0.000   0.102   0.000   0.000
  0.000   0.024   0.000  -0.020   0.000   0.000   0.029   0.000  -0.084   0.000   0.000   0.000  -0.011   0.000   0.035   0.001
  0.000   0.034   0.000  -0.001   0.000   0.000   0.006   0.000  -0.003   0.000   0.000   0.000  -0.001   0.000   0.001   0.001
 -0.002   0.000   0.036   0.000   0.001  -0.002   0.000   0.022   0.000   0.001   0.009  -0.011   0.000  -0.009   0.000   0.000
  0.000  -0.001   0.000   0.035   0.000   0.000  -0.003   0.000   0.010   0.000   0.000   0.000   0.001   0.000  -0.002   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.453   0.117   8.190   8.761
  2        0.863   1.781   0.000   2.644
  3        0.863   1.781   0.000   2.644
  4        0.863   1.782   0.000   2.645
  5        0.864   1.784   0.000   2.649
  6        0.864   1.783   0.000   2.646
  7        0.864   1.782   0.000   2.646
  8        0.863   1.782   0.000   2.645
  9        0.863   1.780   0.000   2.643
 10        0.863   1.786   0.000   2.649
 11        0.864   1.782   0.000   2.645
 12        0.864   1.784   0.000   2.648
 13        0.864   1.784   0.000   2.648
 14        0.864   1.774   0.000   2.638
 15        0.849   1.752   0.000   2.601
 16        0.863   1.786   0.000   2.649
 17        0.863   1.782   0.000   2.646
 18        0.863   1.782   0.000   2.645
 19        0.862   1.781   0.000   2.643
 20        0.864   1.771   0.000   2.635
 21        0.863   1.780   0.000   2.643
 22        0.863   1.782   0.000   2.645
 23        0.863   1.782   0.000   2.645
 24        0.863   1.782   0.000   2.645
 25        0.864   1.784   0.000   2.648
 26        0.863   1.782   0.000   2.645
 27        0.863   1.782   0.000   2.645
 28        0.863   1.782   0.000   2.645
 29        0.864   1.784   0.000   2.648
 30        0.863   1.782   0.000   2.645
 31        0.863   1.782   0.000   2.645
 32        0.863   1.782   0.000   2.646
 33        0.863   1.780   0.000   2.643
 34        0.864   1.771   0.000   2.635
 35        0.862   1.781   0.000   2.643
 36        0.863   1.782   0.000   2.645
 37        0.864   1.784   0.000   2.648
 38        0.863   1.786   0.000   2.649
 39        0.849   1.752   0.000   2.601
 40        0.864   1.774   0.000   2.638
 41        0.864   1.784   0.000   2.648
 42        0.864   1.782   0.000   2.646
 43        0.864   1.782   0.000   2.645
 44        0.863   1.786   0.000   2.649
 45        0.863   1.780   0.000   2.643
 46        0.863   1.782   0.000   2.645
 47        0.863   1.781   0.000   2.644
 48        0.864   1.783   0.000   2.646
 49        0.864   1.784   0.000   2.649
 50        0.863   1.782   0.000   2.645
 51        0.863   1.781   0.000   2.644
------------------------------------------------
tot       43.596  89.136   8.190 140.922
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 


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


    CHARGE:  VPU time   89.95: CPU time   45.43
    FORLOC:  VPU time    0.98: CPU time    0.98
    FORNL :  VPU time  359.09: CPU time  179.93
    STRESS:  VPU time 1076.98: CPU time  541.11
    FORCOR:  VPU time    7.45: CPU time    7.45
    FORHAR:  VPU time    1.88: CPU time    1.88
    MIXING:  VPU time    0.12: CPU time    0.12
 d Force = 0.1639498E-05[ 0.669E-06, 0.261E-05]  d Energy = 0.9976440E-05-0.834E-05
 d Force = 0.1283474E-01[ 0.128E-01, 0.128E-01]  d Ewald  = 0.2501423E+00-0.237E+00


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -463.179934 eV

  energy  without entropy=     -463.179934  energy(sigma->0) =     -463.179934
 

  FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):
  Direction    X        Y        Z        XY       YZ       ZX
  --------------------------------------------------------------------------------------
  Alpha Z     92.66     92.66     92.66
  Ewald    40651.91  40622.13 -47392.50    -25.79      0.00      0.00
  Hartree  40135.88  40122.69 -39451.70    -11.42      0.00      0.00
  E(xc)     -773.67   -773.80   -801.37     -0.11      0.00      0.00
  Local   -83064.24 -83026.00  84175.60     33.11      0.00      0.00
  n-local   -218.63   -215.32   -211.03      1.68      0.00      0.00
  augment     20.96     21.42     18.79      0.40      0.00      0.00
  Kinetic   3151.17   3159.84   3569.31     -0.16      0.00      0.00
  -------------------------------------------------------------------------------------
  Total       -0.12     -0.22     -0.23     -0.09      0.00      0.00
  in kB       -0.07     -0.13     -0.14     -0.05      0.00      0.00
  external pressure =       -0.11 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      500.00
  volume of cell :     2638.06
      direct lattice vectors                 reciprocal lattice vectors
    12.351342348  0.001261761  0.000000000     0.080958086  0.046730216  0.000000000
    -6.174585102 10.697202721  0.000000000    -0.000009549  0.093476871  0.000000000
     0.000000000  0.000000000 19.965260175     0.000000000  0.000000000  0.050087001

  length of vectors
    12.351342413 12.351341920 19.965260175     0.093476868  0.093476871  0.050087001


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.853E-05 -.405E-04 -.112E+04   0.597E-05 -.295E-04 0.112E+04   0.584E-21 0.900E-21 0.490E+01   -.842E-08 0.295E-08 0.130E-02
   -.167E+01 0.962E+00 0.208E+02   0.166E+01 -.961E+00 -.208E+02   0.360E-02 -.208E-02 0.205E-01   0.374E-03 -.218E-03 0.463E-03
   0.516E+01 0.603E+01 0.234E+02   -.515E+01 -.605E+01 -.234E+02   -.833E-02 0.192E-01 -.350E-02   0.298E-03 -.143E-03 0.380E-03
   0.100E+02 0.523E+01 0.189E+02   -.100E+02 -.525E+01 -.189E+02   -.988E-03 0.156E-01 -.577E-01   0.267E-03 -.158E-03 0.248E-03
   0.397E+01 -.119E+01 0.176E+02   -.398E+01 0.121E+01 -.176E+02   0.164E-01 -.211E-01 0.321E-01   0.319E-03 -.187E-03 0.259E-03
   -.231E+01 -.243E+01 0.163E+02   0.232E+01 0.244E+01 -.164E+02   -.147E-01 -.103E-01 0.276E-01   0.362E-03 -.214E-03 0.394E-03
   0.953E+00 0.321E+01 0.163E+02   -.955E+00 -.323E+01 -.164E+02   0.161E-02 0.179E-01 0.276E-01   0.362E-03 -.212E-03 0.389E-03
   0.304E+01 0.167E+02 0.265E+02   -.305E+01 -.168E+02 -.265E+02   0.160E-01 0.403E-01 0.444E-01   0.412E-03 -.227E-03 0.170E-03
   0.192E+02 0.227E+02 0.355E+02   -.192E+02 -.229E+02 -.354E+02   0.403E-01 0.158E+00 -.132E+00   0.313E-03 -.123E-03 -.612E-04
   0.254E+02 -.525E+01 0.217E+02   -.256E+02 0.535E+01 -.217E+02   0.180E+00 -.104E+00 0.632E-01   0.319E-03 -.101E-03 0.878E-04
   0.886E+01 -.511E+01 0.146E+02   -.883E+01 0.510E+01 -.147E+02   -.251E-01 0.145E-01 0.460E-01   0.271E-03 -.162E-03 0.299E-03
   0.301E+01 -.284E+01 0.176E+02   -.304E+01 0.284E+01 -.176E+02   0.264E-01 -.364E-02 0.321E-01   0.320E-03 -.186E-03 0.249E-03
   -.552E+01 0.120E+02 0.199E+02   0.551E+01 -.120E+02 -.200E+02   0.101E-01 0.409E-01 0.331E-01   0.395E-03 -.196E-03 0.164E-03
   -.119E+02 0.326E+02 0.319E+02   0.118E+02 -.331E+02 -.325E+02   0.230E-01 0.463E+00 0.536E+00   0.458E-03 -.216E-03 -.123E-03
   0.343E+02 -.198E+02 0.347E+02   -.355E+02 0.205E+02 -.374E+02   0.129E+01 -.744E+00 0.275E+01   -.142E-04 0.551E-05 -.181E-03
   0.173E+02 -.194E+02 0.217E+02   -.174E+02 0.195E+02 -.217E+02   0.180E+00 -.104E+00 0.632E-01   0.245E-03 -.233E-03 0.820E-04
   0.474E+00 -.113E+02 0.189E+02   -.460E+00 0.113E+02 -.189E+02   -.140E-01 -.696E-02 -.577E-01   0.273E-03 -.154E-03 0.242E-03
   -.353E+01 0.105E+01 0.145E+02   0.354E+01 -.106E+01 -.145E+02   -.881E-02 0.834E-02 -.461E-01   0.289E-03 -.118E-03 0.331E-03
   -.162E+02 0.937E+01 0.156E+02   0.162E+02 -.938E+01 -.154E+02   -.282E-01 0.163E-01 -.157E+00   0.301E-03 -.171E-03 0.110E-03
   -.342E+02 -.603E+01 0.319E+02   0.345E+02 0.628E+01 -.325E+02   -.390E+00 -.252E+00 0.536E+00   0.418E-03 -.290E-03 -.119E-03
   -.101E+02 -.280E+02 0.355E+02   0.102E+02 0.281E+02 -.354E+02   -.117E+00 -.114E+00 -.132E+00   0.265E-03 -.213E-03 -.634E-04
   -.265E+01 -.749E+01 0.234E+02   0.267E+01 0.749E+01 -.234E+02   -.208E-01 -.238E-02 -.350E-02   0.274E-03 -.189E-03 0.380E-03
   0.776E+00 -.448E+00 0.166E+02   -.770E+00 0.445E+00 -.166E+02   -.551E-02 0.318E-02 -.351E-01   0.220E-03 -.125E-03 0.442E-03
   -.268E+01 0.253E+01 0.145E+02   0.269E+01 -.253E+01 -.145E+02   -.116E-01 0.346E-02 -.461E-01   0.248E-03 -.188E-03 0.337E-03
   -.131E+02 -.121E+01 0.199E+02   0.132E+02 0.123E+01 -.200E+02   -.304E-01 -.292E-01 0.331E-01   0.369E-03 -.245E-03 0.174E-03
   -.130E+02 -.110E+02 0.265E+02   0.130E+02 0.110E+02 -.265E+02   -.269E-01 -.340E-01 0.444E-01   0.403E-03 -.248E-03 0.174E-03
   0.264E+01 0.749E+01 0.234E+02   -.267E+01 -.749E+01 -.234E+02   0.208E-01 0.238E-02 -.350E-02   -.274E-03 0.189E-03 0.380E-03
   0.130E+02 0.110E+02 0.265E+02   -.130E+02 -.110E+02 -.265E+02   0.269E-01 0.340E-01 0.444E-01   -.403E-03 0.248E-03 0.174E-03
   0.131E+02 0.121E+01 0.199E+02   -.132E+02 -.123E+01 -.200E+02   0.304E-01 0.292E-01 0.331E-01   -.369E-03 0.245E-03 0.174E-03
   0.268E+01 -.253E+01 0.145E+02   -.269E+01 0.253E+01 -.145E+02   0.116E-01 -.346E-02 -.461E-01   -.248E-03 0.188E-03 0.337E-03
   -.776E+00 0.448E+00 0.166E+02   0.770E+00 -.444E+00 -.166E+02   0.551E-02 -.318E-02 -.351E-01   -.220E-03 0.125E-03 0.442E-03
   -.474E+00 0.113E+02 0.189E+02   0.459E+00 -.113E+02 -.189E+02   0.140E-01 0.696E-02 -.577E-01   -.273E-03 0.154E-03 0.242E-03
   0.101E+02 0.280E+02 0.355E+02   -.102E+02 -.281E+02 -.354E+02   0.117E+00 0.114E+00 -.132E+00   -.265E-03 0.213E-03 -.634E-04
   0.342E+02 0.603E+01 0.319E+02   -.345E+02 -.628E+01 -.325E+02   0.390E+00 0.252E+00 0.536E+00   -.418E-03 0.289E-03 -.119E-03
   0.162E+02 -.937E+01 0.156E+02   -.162E+02 0.938E+01 -.154E+02   0.282E-01 -.163E-01 -.157E+00   -.301E-03 0.171E-03 0.110E-03
   0.353E+01 -.105E+01 0.145E+02   -.354E+01 0.106E+01 -.145E+02   0.881E-02 -.834E-02 -.461E-01   -.289E-03 0.118E-03 0.331E-03
   -.301E+01 0.284E+01 0.176E+02   0.304E+01 -.284E+01 -.176E+02   -.264E-01 0.364E-02 0.321E-01   -.320E-03 0.186E-03 0.249E-03
   -.173E+02 0.194E+02 0.217E+02   0.174E+02 -.195E+02 -.217E+02   -.180E+00 0.104E+00 0.632E-01   -.245E-03 0.233E-03 0.820E-04
   -.343E+02 0.198E+02 0.347E+02   0.355E+02 -.205E+02 -.374E+02   -.129E+01 0.744E+00 0.275E+01   0.142E-04 -.553E-05 -.181E-03
   0.119E+02 -.326E+02 0.319E+02   -.118E+02 0.331E+02 -.325E+02   -.230E-01 -.463E+00 0.536E+00   -.458E-03 0.216E-03 -.123E-03
   0.552E+01 -.120E+02 0.199E+02   -.551E+01 0.120E+02 -.200E+02   -.101E-01 -.409E-01 0.331E-01   -.395E-03 0.196E-03 0.164E-03
   -.954E+00 -.321E+01 0.163E+02   0.955E+00 0.323E+01 -.164E+02   -.161E-02 -.179E-01 0.276E-01   -.362E-03 0.212E-03 0.389E-03
   -.886E+01 0.511E+01 0.146E+02   0.883E+01 -.510E+01 -.147E+02   0.251E-01 -.145E-01 0.460E-01   -.271E-03 0.162E-03 0.299E-03
   -.254E+02 0.525E+01 0.217E+02   0.256E+02 -.535E+01 -.217E+02   -.180E+00 0.104E+00 0.632E-01   -.319E-03 0.101E-03 0.878E-04
   -.192E+02 -.227E+02 0.355E+02   0.192E+02 0.229E+02 -.354E+02   -.403E-01 -.158E+00 -.132E+00   -.313E-03 0.123E-03 -.612E-04
   -.304E+01 -.167E+02 0.265E+02   0.305E+01 0.168E+02 -.265E+02   -.160E-01 -.403E-01 0.444E-01   -.412E-03 0.227E-03 0.170E-03
   0.167E+01 -.962E+00 0.208E+02   -.166E+01 0.961E+00 -.208E+02   -.360E-02 0.208E-02 0.205E-01   -.374E-03 0.218E-03 0.463E-03
   0.231E+01 0.243E+01 0.163E+02   -.232E+01 -.244E+01 -.164E+02   0.147E-01 0.103E-01 0.276E-01   -.362E-03 0.214E-03 0.394E-03
   -.397E+01 0.119E+01 0.176E+02   0.398E+01 -.121E+01 -.176E+02   -.164E-01 0.211E-01 0.321E-01   -.319E-03 0.188E-03 0.259E-03
   -.100E+02 -.523E+01 0.189E+02   0.100E+02 0.525E+01 -.189E+02   0.988E-03 -.156E-01 -.577E-01   -.267E-03 0.158E-03 0.248E-03
   -.516E+01 -.603E+01 0.234E+02   0.515E+01 0.605E+01 -.234E+02   0.833E-02 -.192E-01 -.350E-02   -.298E-03 0.143E-03 0.380E-03
 -----------------------------------------------------------------------------------------------
   -.182E-02 0.320E-03 -.122E+02   0.995E-13 -.817E-13 -.796E-12   0.163E-15 0.108E-15 0.121E+02   -.168E-07 0.828E-08 0.109E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      1.85332      6.06230     12.22634         0.000000      0.000000      0.006533
     -6.17406     10.69690      9.91291         0.001054     -0.000608     -0.003982
     11.11593      2.13980      9.91717         0.000459     -0.000264     -0.003193
      9.87919      4.27993      9.94349         0.002018      0.000434     -0.000143
      8.64531      6.41961      9.94262         0.000800      0.000463      0.000155
     -4.93724      8.55783      9.93257        -0.000466     -0.000808     -0.004205
     -3.70316     10.69531      9.93257         0.000467      0.000808     -0.004205
      1.23555      2.13779      9.94297        -0.000103      0.000277      0.002841
     -0.00540      4.27831     10.00399         0.000704     -0.000172      0.005373
     -1.24167      6.41660     10.01206         0.002037     -0.001018      0.003211
     -2.46714      8.55671      9.95875         0.001519     -0.000877     -0.001823
      4.93987      0.00160      9.94262         0.000000     -0.000924      0.000155
      3.70629      2.13478      9.95859         0.000750      0.000807      0.001150
      2.47416      4.25429     10.08979        -0.000271      0.000681     -0.000812
      1.21712      6.42960     10.25992         0.000853     -0.000492      0.002708
     -0.00101      8.56548     10.01206         0.001900     -0.001255      0.003211
      7.40983      0.00287      9.94349         0.000633     -0.001964     -0.000143
      6.17536      2.14000      9.94433         0.001077     -0.000552     -0.004398
      4.94340      4.27824     10.00073        -0.000595      0.000343      0.004771
      3.72952      6.42863     10.08979        -0.000726     -0.000106     -0.000812
      2.46893      8.56398     10.00399         0.000501     -0.000524      0.005373
      9.88161      0.00189      9.91717         0.000458     -0.000265     -0.003193
      8.64510      2.14106      9.92419         0.000414     -0.000239     -0.004900
      7.41115      4.28044      9.94433         0.001017     -0.000656     -0.004398
      6.18114      6.42134      9.95859        -0.000324     -0.001053      0.001150
      4.94315      8.55955      9.94297        -0.000292     -0.000049      0.002841
     -0.00039      1.42550      9.91717        -0.000458      0.000265     -0.003193
     -1.23652      3.56504      9.94297         0.000292      0.000049      0.002841
     -2.47450      5.70326      9.95859         0.000324      0.001053      0.001150
     -3.70451      7.84415      9.94433        -0.001017      0.000656     -0.004398
     -4.93847      9.98353      9.92419        -0.000414      0.000239     -0.004900
      2.47139      1.42452      9.94349        -0.000633      0.001964     -0.000143
      1.23770      3.56061     10.00399        -0.000501      0.000524      0.005373
     -0.02288      5.69596     10.08979         0.000726      0.000106     -0.000812
     -1.23676      7.84635     10.00073         0.000595     -0.000343      0.004771
     -2.46873      9.98459      9.94433        -0.001077      0.000552     -0.004398
      4.94135      1.42579      9.94262         0.000000      0.000924      0.000155
      3.70764      3.55911     10.01206        -0.001900      0.001255      0.003211
      2.48951      5.69499     10.25992        -0.000853      0.000492      0.002708
      1.23247      7.87030     10.08979         0.000271     -0.000681     -0.000812
      0.00034      9.98981      9.95859        -0.000750     -0.000807      0.001150
      7.40980      1.42928      9.93257        -0.000467     -0.000808     -0.004205
      6.17377      3.56788      9.95875        -0.001519      0.000877     -0.001823
      4.94830      5.70799     10.01206        -0.002037      0.001018      0.003211
      3.71203      7.84628     10.00399        -0.000704      0.000172      0.005373
      2.47109      9.98680      9.94297         0.000103     -0.000277      0.002841
      9.88069      1.42769      9.91291        -0.001054      0.000608     -0.003982
      8.64387      3.56676      9.93257         0.000466      0.000808     -0.004205
      7.41266      5.70624      9.94262        -0.000800     -0.000463      0.000155
      6.17878      7.84592      9.94349        -0.002018     -0.000434     -0.000143
      4.94204      9.98605      9.91717        -0.000459      0.000264     -0.003193
 -----------------------------------------------------------------------------------
    total drift:                               -0.001818      0.000320      0.002131


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




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


  
 reached required accuracy - stopping structural energy minimisation
 writing wavefunctions
     LOOP+:  VPU time 3840.43: CPU time 2004.99
 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.453   0.117   8.190   8.761
  2        0.863   1.781   0.000   2.644
  3        0.863   1.781   0.000   2.644
  4        0.863   1.782   0.000   2.645
  5        0.864   1.784   0.000   2.649
  6        0.864   1.783   0.000   2.646
  7        0.864   1.782   0.000   2.646
  8        0.863   1.782   0.000   2.645
  9        0.863   1.780   0.000   2.643
 10        0.863   1.786   0.000   2.649
 11        0.864   1.782   0.000   2.645
 12        0.864   1.784   0.000   2.648
 13        0.864   1.784   0.000   2.648
 14        0.864   1.774   0.000   2.638
 15        0.849   1.752   0.000   2.601
 16        0.863   1.786   0.000   2.649
 17        0.863   1.782   0.000   2.646
 18        0.863   1.782   0.000   2.645
 19        0.862   1.781   0.000   2.643
 20        0.864   1.771   0.000   2.635
 21        0.863   1.780   0.000   2.643
 22        0.863   1.782   0.000   2.645
 23        0.863   1.782   0.000   2.645
 24        0.863   1.782   0.000   2.645
 25        0.864   1.784   0.000   2.648
 26        0.863   1.782   0.000   2.645
 27        0.863   1.782   0.000   2.645
 28        0.863   1.782   0.000   2.645
 29        0.864   1.784   0.000   2.648
 30        0.863   1.782   0.000   2.645
 31        0.863   1.782   0.000   2.645
 32        0.863   1.782   0.000   2.646
 33        0.863   1.780   0.000   2.643
 34        0.864   1.771   0.000   2.635
 35        0.862   1.781   0.000   2.643
 36        0.863   1.782   0.000   2.645
 37        0.864   1.784   0.000   2.648
 38        0.863   1.786   0.000   2.649
 39        0.849   1.752   0.000   2.601
 40        0.864   1.774   0.000   2.638
 41        0.864   1.784   0.000   2.648
 42        0.864   1.782   0.000   2.646
 43        0.864   1.782   0.000   2.645
 44        0.863   1.786   0.000   2.649
 45        0.863   1.780   0.000   2.643
 46        0.863   1.782   0.000   2.645
 47        0.863   1.781   0.000   2.644
 48        0.864   1.783   0.000   2.646
 49        0.864   1.784   0.000   2.649
 50        0.863   1.782   0.000   2.645
 51        0.863   1.781   0.000   2.644
------------------------------------------------
tot       43.596  89.136   8.190 140.922
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
  2        0.000   0.000   0.000   0.000
  3        0.000   0.000   0.000   0.000
  4        0.000   0.000   0.000   0.000
  5        0.000   0.000   0.000   0.000
  6        0.000   0.000   0.000   0.000
  7        0.000   0.000   0.000   0.000
  8        0.000   0.000   0.000   0.000
  9        0.000   0.000   0.000   0.000
 10        0.000   0.000   0.000   0.000
 11        0.000   0.000   0.000   0.000
 12        0.000   0.000   0.000   0.000
 13        0.000   0.000   0.000   0.000
 14        0.000   0.000   0.000   0.000
 15        0.000   0.000   0.000   0.000
 16        0.000   0.000   0.000   0.000
 17        0.000   0.000   0.000   0.000
 18        0.000   0.000   0.000   0.000
 19        0.000   0.000   0.000   0.000
 20        0.000   0.000   0.000   0.000
 21        0.000   0.000   0.000   0.000
 22        0.000   0.000   0.000   0.000
 23        0.000   0.000   0.000   0.000
 24        0.000   0.000   0.000   0.000
 25        0.000   0.000   0.000   0.000
 26        0.000   0.000   0.000   0.000
 27        0.000   0.000   0.000   0.000
 28        0.000   0.000   0.000   0.000
 29        0.000   0.000   0.000   0.000
 30        0.000   0.000   0.000   0.000
 31        0.000   0.000   0.000   0.000
 32        0.000   0.000   0.000   0.000
 33        0.000   0.000   0.000   0.000
 34        0.000   0.000   0.000   0.000
 35        0.000   0.000   0.000   0.000
 36        0.000   0.000   0.000   0.000
 37        0.000   0.000   0.000   0.000
 38        0.000   0.000   0.000   0.000
 39        0.000   0.000   0.000   0.000
 40        0.000   0.000   0.000   0.000
 41        0.000   0.000   0.000   0.000
 42        0.000   0.000   0.000   0.000
 43        0.000   0.000   0.000   0.000
 44        0.000   0.000   0.000   0.000
 45        0.000   0.000   0.000   0.000
 46        0.000   0.000   0.000   0.000
 47        0.000   0.000   0.000   0.000
 48        0.000   0.000   0.000   0.000
 49        0.000   0.000   0.000   0.000
 50        0.000   0.000   0.000   0.000
 51        0.000   0.000   0.000   0.000
------------------------------------------------
tot        0.000   0.000   0.000   0.000
 
 BZINTS: Fermi energy: -2.859750;210.000000 electrons
         Band energy:***********;  BLOECHL correction:  0.000000
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):    33720.210
                            User time (sec):    32717.920
                          System time (sec):     1002.290
                         Elapsed time (sec):    17427.212
  
                   Maximum memory used (kb):           0.
                   Average memory used (kb):           0.
  
                          Minor page faults:    616573505
                          Major page faults:            1
                 Voluntary context switches:       141659
