vasp.6.2.1 16May21 (build Apr 11 2022 11:03:26) complex                        
  
 MD_VERSION_INFO: Compiled 2022-04-11T18:25:55-UTC in devlin.sd.materialsdesign.
 com:/home/medea2/data/build/vasp6.2.1/16685/x86_64/src/src/build/gpu from svn 1
 6685
 
 This VASP executable licensed from Materials Design, Inc.
 
 executed on                        Lin64 date 2023.05.27  23:28:38
 running on    2 total cores
 distrk:  each k-point on    2 cores,    1 groups
 distr:  one band on NCORE=   1 cores,    2 groups


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


 INCAR:
   SYSTEM = No title
   PREC = Normal
   ENCUT = 400.000
   IBRION = -1
   NSW = 0
   ISIF = 2
   NELMIN = 2
   EDIFF = 1.0e-05
   EDIFFG = -0.02
   VOSKOWN = 1
   NBLOCK = 1
   NWRITE = 1
   NELM = 60
   ALGO = Normal (blocked Davidson)
   ISPIN = 1
   INIWAV = 1
   ISTART = 0
   ICHARG = 2
   LWAVE = .FALSE.
   LCHARG = .FALSE.
   ADDGRID = .FALSE.
   ISMEAR = 1
   SIGMA = 0.2
   LREAL = Auto
   LSCALAPACK = .FALSE.
   RWIGS = 1.41 0.73 0.32
   NPAR = 2

 POTCAR:    PAW_PBE Sn_d 06Sep2000                
 POTCAR:    PAW_PBE O 08Apr2002                   
 POTCAR:    PAW_PBE H 15Jun2001                   
 POTCAR:    PAW_PBE Sn_d 06Sep2000                
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           6
   number of lm-projection operators is LMMAX =          18
 
 POTCAR:    PAW_PBE O 08Apr2002                   
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  kinetic energy density of atom read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8
 
 POTCAR:    PAW_PBE H 15Jun2001                   
  local pseudopotential read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           3
   number of lm-projection operators is LMMAX =           5
 
 Optimization of the real space projectors (new method)

 maximal supplied QI-value         = 15.12
 optimisation between [QCUT,QGAM] = [ 10.13, 20.41] = [ 28.73,116.64] Ry 
 Optimized for a Real-space Cutoff    1.38 Angstroem

   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 
   2      7    10.129     5.880    0.15E-03    0.14E-04    0.57E-07
   2      7    10.129     7.804    0.33E-03    0.17E-03    0.10E-06
   0      8    10.129    20.557    0.11E-03    0.15E-03    0.82E-07
   0      8    10.129     9.400    0.14E-03    0.19E-03    0.10E-06
   1      8    10.129    94.178    0.28E-03    0.18E-03    0.13E-06
   1      8    10.129    56.401    0.27E-03    0.17E-03    0.13E-06
 Optimization of the real space projectors (new method)

 maximal supplied QI-value         = 24.76
 optimisation between [QCUT,QGAM] = [ 10.15, 20.30] = [ 28.85,115.39] Ry 
 Optimized for a Real-space Cutoff    1.38 Angstroem

   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 
   0      8    10.150    20.381    0.22E-03    0.32E-03    0.29E-06
   0      8    10.150    15.268    0.23E-03    0.35E-03    0.30E-06
   1      8    10.150     5.964    0.46E-03    0.53E-03    0.21E-06
   1      8    10.150     5.382    0.38E-03    0.45E-03    0.19E-06
 Optimization of the real space projectors (new method)

 maximal supplied QI-value         = 34.20
 optimisation between [QCUT,QGAM] = [  9.92, 20.18] = [ 27.55,114.04] Ry 
 Optimized for a Real-space Cutoff    1.26 Angstroem

   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 
   0      8     9.919    19.460    0.50E-03    0.23E-03    0.29E-06
   0      8     9.919    12.209    0.48E-03    0.23E-03    0.28E-06
   1      7     9.919     4.655    0.17E-03    0.75E-03    0.30E-06
  PAW_PBE Sn_d 06Sep2000                :
 energy of atom  1       EATOM=-1893.1092
 kinetic energy error for atom=    0.0047 (will be added to EATOM!!)
  PAW_PBE O 08Apr2002                   :
 energy of atom  2       EATOM= -432.3788
 kinetic energy error for atom=    0.1156 (will be added to EATOM!!)
  PAW_PBE H 15Jun2001                   :
 energy of atom  3       EATOM=  -12.4884
 kinetic energy error for atom=    0.0098 (will be added to EATOM!!)
 
 
 POSCAR: No title
  positions in direct lattice
  No initial velocities read in
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 


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


 ion  position               nearest neighbor table
   1  0.431  0.540  0.331-   8 1.96  11 2.04  12 2.07   7 2.10  20 2.18   2 3.15
   2  0.461  0.532  0.484-  10 1.97   9 1.97  12 2.05   7 2.06   1 3.15
   3  0.963  0.023  0.414-  12 2.01   7 2.01   8 2.15   9 2.20  10 2.21  11 2.26
   4  0.053  0.058  0.998-  16 2.01  13 2.01  15 2.16  18 2.22  14 2.23  17 2.24
   5  0.550  0.556  0.927-  18 1.97  14 1.97  16 2.05  13 2.06   6 3.15
   6  0.541  0.543  0.080-  15 1.98  17 2.01  13 2.08  16 2.09  19 2.10   5 3.15
   7  0.650  0.737  0.408-   3 2.01   2 2.06   1 2.10
   8  0.152  0.846  0.328-   1 1.96   3 2.15
   9  0.168  0.821  0.498-   2 1.97   3 2.20
  10  0.749  0.236  0.496-   2 1.97   3 2.21
  11  0.750  0.250  0.331-  21 1.20   1 2.04   3 2.26
  12  0.248  0.338  0.410-   3 2.01   2 2.05   1 2.07
  13  0.745  0.349  0.002-   4 2.01   5 2.06   6 2.08
  14  0.259  0.265  0.914-   5 1.97   4 2.23
  15  0.239  0.253  0.082-   6 1.98   4 2.16
  16  0.347  0.753  0.002-   4 2.01   5 2.05   6 2.09
  17  0.840  0.844  0.082-   6 2.01   4 2.24
  18  0.843  0.846  0.915-   5 1.97   4 2.22
  19  0.554  0.447  0.179-  20 1.10   6 2.10
  20  0.507  0.431  0.231-  19 1.10   1 2.18
  21  0.744  0.227  0.273-  11 1.20
  22  0.171  0.123  0.149-
 
  LATTYP: Found a simple tetragonal cell.
 ALAT       =     4.7372700000
 C/A-ratio  =     4.3608395321
  
  Lattice vectors:
  
 A1 = (   4.7372700000,   0.0000000000,   0.0000000000)
 A2 = (   0.0000000000,   4.7372700000,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,  20.6584742900)


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

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


 Subroutine GETGRP returns: Found  1 space group operations
 (whereof  1 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The static configuration has the point symmetry C_1 .


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

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


 Subroutine GETGRP returns: Found  1 space group operations
 (whereof  1 operations were pure point group operations)
 out of a pool of 16 trial point group operations.


The dynamic configuration has the point symmetry C_1 .


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


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

                                     Primitive cell                                     

  volume of cell :     463.6118

  direct lattice vectors                    reciprocal lattice vectors
     4.737270000  0.000000000  0.000000000     0.211092042  0.000000000  0.000000000
     0.000000000  4.737270000  0.000000000     0.000000000  0.211092042  0.000000000
     0.000000000  0.000000000 20.658474290     0.000000000  0.000000000  0.048406285

  length of vectors
     4.737270000  4.737270000 20.658474290     0.211092042  0.211092042  0.048406285

  position of ions in fractional coordinates (direct lattice)
     0.431151340  0.539899330  0.331465060
     0.461469680  0.531587650  0.483893370
     0.963206200  0.023222380  0.414137130
     0.052632450  0.057625910  0.997838970
     0.549870470  0.556347620  0.927223080
     0.541001770  0.543496150  0.079510270
     0.650214220  0.736851680  0.407619110
     0.152097680  0.846097280  0.328465760
     0.167606610  0.820584060  0.497708470
     0.748826160  0.236495530  0.495744720
     0.750091330  0.250484100  0.331024510
     0.247948840  0.338193760  0.409666480
     0.744543980  0.348820810  0.002311170
     0.258579830  0.265367310  0.913535490
     0.239203650  0.253253420  0.082176060
     0.346967770  0.752835050  0.002467920
     0.839818800  0.844372040  0.081538930
     0.842558770  0.846466670  0.915112320
     0.554451190  0.447303940  0.178629350
     0.506904070  0.431235040  0.230641580
     0.743645780  0.226752120  0.273013100
     0.171043150  0.122525640  0.148912390

  ion indices of the primitive-cell ions
   primitive index   ion index
                 1           1
                 2           2
                 3           3
                 4           4
                 5           5
                 6           6
                 7           7
                 8           8
                 9           9
                10          10
                11          11
                12          12
                13          13
                14          14
                15          15
                16          16
                17          17
                18          18
                19          19
                20          20
                21          21
                22          22

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

 
 
 KPOINTS: Automatic mesh                          

Automatic generation of k-mesh.
 Grid dimensions read from file:
 generate k-points for:    5    5    3

 Generating k-lattice:

  Cartesian coordinates                     Fractional coordinates (reciprocal lattice)
     0.042218408  0.000000000  0.000000000     0.200000000  0.000000000  0.000000000
     0.000000000  0.042218408  0.000000000     0.000000000  0.200000000  0.000000000
     0.000000000  0.000000000  0.016135428     0.000000000  0.000000000  0.333333333

  Length of vectors
     0.042218408  0.042218408  0.016135428

  Shift w.r.t. Gamma in fractional coordinates (k-lattice)
     0.000000000  0.000000000  0.000000000

 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found     38 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.200000  0.000000  0.000000      2.000000
  0.000000  0.200000  0.000000      2.000000
  0.400000  0.000000  0.000000      2.000000
  0.000000  0.400000  0.000000      2.000000
  0.200000  0.200000  0.000000      2.000000
 -0.200000  0.200000  0.000000      2.000000
  0.400000  0.200000  0.000000      2.000000
 -0.200000  0.400000  0.000000      2.000000
 -0.400000  0.200000  0.000000      2.000000
  0.200000  0.400000  0.000000      2.000000
  0.400000  0.400000  0.000000      2.000000
 -0.400000  0.400000  0.000000      2.000000
  0.000000  0.000000  0.333333      2.000000
  0.200000  0.000000  0.333333      2.000000
  0.000000  0.200000  0.333333      2.000000
 -0.200000  0.000000  0.333333      2.000000
  0.000000 -0.200000  0.333333      2.000000
  0.400000  0.000000  0.333333      2.000000
  0.000000  0.400000  0.333333      2.000000
 -0.400000  0.000000  0.333333      2.000000
  0.000000 -0.400000  0.333333      2.000000
  0.200000  0.200000  0.333333      2.000000
 -0.200000  0.200000  0.333333      2.000000
 -0.200000 -0.200000  0.333333      2.000000
  0.200000 -0.200000  0.333333      2.000000
  0.400000  0.200000  0.333333      2.000000
 -0.200000  0.400000  0.333333      2.000000
 -0.400000 -0.200000  0.333333      2.000000
  0.200000 -0.400000  0.333333      2.000000
 -0.400000  0.200000 -0.333333      2.000000
  0.200000  0.400000 -0.333333      2.000000
  0.400000 -0.200000 -0.333333      2.000000
 -0.200000 -0.400000 -0.333333      2.000000
  0.400000  0.400000  0.333333      2.000000
 -0.400000  0.400000  0.333333      2.000000
 -0.400000 -0.400000  0.333333      2.000000
  0.400000 -0.400000  0.333333      2.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.042218  0.000000  0.000000      2.000000
  0.000000  0.042218  0.000000      2.000000
  0.084437  0.000000  0.000000      2.000000
  0.000000  0.084437  0.000000      2.000000
  0.042218  0.042218  0.000000      2.000000
 -0.042218  0.042218  0.000000      2.000000
  0.084437  0.042218  0.000000      2.000000
 -0.042218  0.084437  0.000000      2.000000
 -0.084437  0.042218  0.000000      2.000000
  0.042218  0.084437  0.000000      2.000000
  0.084437  0.084437  0.000000      2.000000
 -0.084437  0.084437  0.000000      2.000000
  0.000000  0.000000  0.016135      2.000000
  0.042218  0.000000  0.016135      2.000000
  0.000000  0.042218  0.016135      2.000000
 -0.042218  0.000000  0.016135      2.000000
  0.000000 -0.042218  0.016135      2.000000
  0.084437  0.000000  0.016135      2.000000
  0.000000  0.084437  0.016135      2.000000
 -0.084437  0.000000  0.016135      2.000000
  0.000000 -0.084437  0.016135      2.000000
  0.042218  0.042218  0.016135      2.000000
 -0.042218  0.042218  0.016135      2.000000
 -0.042218 -0.042218  0.016135      2.000000
  0.042218 -0.042218  0.016135      2.000000
  0.084437  0.042218  0.016135      2.000000
 -0.042218  0.084437  0.016135      2.000000
 -0.084437 -0.042218  0.016135      2.000000
  0.042218 -0.084437  0.016135      2.000000
 -0.084437  0.042218 -0.016135      2.000000
  0.042218  0.084437 -0.016135      2.000000
  0.084437 -0.042218 -0.016135      2.000000
 -0.042218 -0.084437 -0.016135      2.000000
  0.084437  0.084437  0.016135      2.000000
 -0.084437  0.084437  0.016135      2.000000
 -0.084437 -0.084437  0.016135      2.000000
  0.084437 -0.084437  0.016135      2.000000
 


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




 Dimension of arrays:
   k-points           NKPTS =     38   k-points in BZ     NKDIM =     38   number of bands    NBANDS=    102
   number of dos      NEDOS =    301   number of ions     NIONS =     22
   non local maximal  LDIM  =      6   non local SUM 2l+1 LMDIM =     18
   total plane-waves  NPLWV =  62208
   max r-space proj   IRMAX =   1528   max aug-charges    IRDMAX=   6191
   dimension x,y,z NGX =    24 NGY =   24 NGZ =  108
   dimension x,y,z NGXF=    48 NGYF=   48 NGZF=  216
   support grid    NGXF=    48 NGYF=   48 NGZF=  216
   ions per type =               6  14   2
   NGX,Y,Z   is equivalent  to a cutoff of   8.42,  8.42,  8.69 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  16.84, 16.84, 17.38 a.u.

 SYSTEM =  No title                                
 POSCAR =  No title                                

 Startparameter for this run:
   NWRITE =      1    write-flag & timer
   PREC   = normal    normal or accurate (medium, high low for compatibility)
   ISTART =      0    job   : 0-new  1-cont  2-samecut
   ICHARG =      2    charge: 1-file 2-atom 10-const
   ISPIN  =      1    spin polarized calculation?
   LNONCOLLINEAR =      F non collinear calculations
   LSORBIT =      F    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      F    aspherical Exc in radial PAW
 Electronic Relaxation 1
   ENCUT  =  400.0 eV  29.40 Ry    5.42 a.u.   7.73  7.73 33.69*2*pi/ulx,y,z
   ENINI  =  400.0     initial cutoff
   ENAUG  =  605.4 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  2; NELMDL= -5     # of ELM steps 
   EDIFF  = 0.1E-04   stopping-criterion for ELM
   LREAL  =      T    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      1    Vosko Wilk Nusair interpolation
   ROPT   =   -0.00050  -0.00050  -0.00050
 Ionic relaxation
   EDIFFG = -.2E-01   stopping-criterion for IOM
   NSW    =      0    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      1    inner block; outer block 
   IBRION =     -1    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      0    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      2    stress and relaxation
   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps = 0.13E+47 mass=  -0.513E-27a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 16.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS = 118.71 16.00  1.00
  Ionic Valenz
   ZVAL   =  14.00  6.00  1.00
  Atomic Wigner-Seitz radii
   RWIGS  =   1.41  0.73  0.32
  virtual crystal weights 
   VCA    =   1.00  1.00  1.00
   NELECT =     170.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =  10.00;   EMAX   =-10.00  energy-range for DOS
   EFERMI =   0.00
   ISMEAR =     1;   SIGMA  =   0.20  broadening in eV -4-tet -1-fermi 0-gaus

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

 Intra band minimization:
   WEIMIN = 0.0000     energy-eigenvalue tresh-hold
   EBREAK =  0.25E-07  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      21.07       142.21
  Fermi-wavevector in a.u.,A,eV,Ry     =   1.171763  2.214310 18.681174  1.373028
  Thomas-Fermi vector in A             =   2.308201
 
 Write flags
   LWAVE        =      F    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      F    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =      0    0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes


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

 Exchange correlation treatment:
   GGA     =    --    GGA type
   LEXCH   =     8    internal setting for exchange type
   VOSKOWN=      1    Vosko Wilk Nusair interpolation
   LHFCALC =     F    Hartree Fock is set to
   LHFONE  =     F    Hartree Fock one center treatment
   AEXX    =    0.0000 exact exchange contribution

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



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


 Static calculation
 charge density and potential will be updated during run
 non-spin polarized calculation
 Variant of blocked Davidson
 Davidson routine will perform the subspace rotation
 perform sub-space diagonalisation
    after iterative eigenvector-optimisation
 modified Broyden-mixing scheme, WC =      100.0
 initial mixing is a Kerker type mixing with AMIX =  0.4000 and BMIX =      1.0000
 Hartree-type preconditioning will be used
 using additional bands           17
 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)
 Methfessel and Paxton  Order N= 1 SIGMA  =   0.20


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


  energy-cutoff  :      400.00
  volume of cell :      463.61
      direct lattice vectors                 reciprocal lattice vectors
     4.737270000  0.000000000  0.000000000     0.211092042  0.000000000  0.000000000
     0.000000000  4.737270000  0.000000000     0.000000000  0.211092042  0.000000000
     0.000000000  0.000000000 20.658474290     0.000000000  0.000000000  0.048406285

  length of vectors
     4.737270000  4.737270000 20.658474290     0.211092042  0.211092042  0.048406285


 
 k-points in units of 2pi/SCALE and weight: Automatic mesh                          
   0.00000000  0.00000000  0.00000000       0.013
   0.04221841  0.00000000  0.00000000       0.027
   0.00000000  0.04221841  0.00000000       0.027
   0.08443682  0.00000000  0.00000000       0.027
   0.00000000  0.08443682  0.00000000       0.027
   0.04221841  0.04221841  0.00000000       0.027
  -0.04221841  0.04221841  0.00000000       0.027
   0.08443682  0.04221841  0.00000000       0.027
  -0.04221841  0.08443682  0.00000000       0.027
  -0.08443682  0.04221841  0.00000000       0.027
   0.04221841  0.08443682  0.00000000       0.027
   0.08443682  0.08443682  0.00000000       0.027
  -0.08443682  0.08443682  0.00000000       0.027
   0.00000000  0.00000000  0.01613543       0.027
   0.04221841  0.00000000  0.01613543       0.027
   0.00000000  0.04221841  0.01613543       0.027
  -0.04221841  0.00000000  0.01613543       0.027
   0.00000000 -0.04221841  0.01613543       0.027
   0.08443682  0.00000000  0.01613543       0.027
   0.00000000  0.08443682  0.01613543       0.027
  -0.08443682  0.00000000  0.01613543       0.027
   0.00000000 -0.08443682  0.01613543       0.027
   0.04221841  0.04221841  0.01613543       0.027
  -0.04221841  0.04221841  0.01613543       0.027
  -0.04221841 -0.04221841  0.01613543       0.027
   0.04221841 -0.04221841  0.01613543       0.027
   0.08443682  0.04221841  0.01613543       0.027
  -0.04221841  0.08443682  0.01613543       0.027
  -0.08443682 -0.04221841  0.01613543       0.027
   0.04221841 -0.08443682  0.01613543       0.027
  -0.08443682  0.04221841 -0.01613543       0.027
   0.04221841  0.08443682 -0.01613543       0.027
   0.08443682 -0.04221841 -0.01613543       0.027
  -0.04221841 -0.08443682 -0.01613543       0.027
   0.08443682  0.08443682  0.01613543       0.027
  -0.08443682  0.08443682  0.01613543       0.027
  -0.08443682 -0.08443682  0.01613543       0.027
   0.08443682 -0.08443682  0.01613543       0.027
 
 k-points in reciprocal lattice and weights: Automatic mesh                          
   0.00000000  0.00000000  0.00000000       0.013
   0.20000000  0.00000000  0.00000000       0.027
   0.00000000  0.20000000  0.00000000       0.027
   0.40000000  0.00000000  0.00000000       0.027
   0.00000000  0.40000000  0.00000000       0.027
   0.20000000  0.20000000  0.00000000       0.027
  -0.20000000  0.20000000  0.00000000       0.027
   0.40000000  0.20000000  0.00000000       0.027
  -0.20000000  0.40000000  0.00000000       0.027
  -0.40000000  0.20000000  0.00000000       0.027
   0.20000000  0.40000000  0.00000000       0.027
   0.40000000  0.40000000  0.00000000       0.027
  -0.40000000  0.40000000  0.00000000       0.027
   0.00000000  0.00000000  0.33333333       0.027
   0.20000000  0.00000000  0.33333333       0.027
   0.00000000  0.20000000  0.33333333       0.027
  -0.20000000  0.00000000  0.33333333       0.027
   0.00000000 -0.20000000  0.33333333       0.027
   0.40000000  0.00000000  0.33333333       0.027
   0.00000000  0.40000000  0.33333333       0.027
  -0.40000000  0.00000000  0.33333333       0.027
   0.00000000 -0.40000000  0.33333333       0.027
   0.20000000  0.20000000  0.33333333       0.027
  -0.20000000  0.20000000  0.33333333       0.027
  -0.20000000 -0.20000000  0.33333333       0.027
   0.20000000 -0.20000000  0.33333333       0.027
   0.40000000  0.20000000  0.33333333       0.027
  -0.20000000  0.40000000  0.33333333       0.027
  -0.40000000 -0.20000000  0.33333333       0.027
   0.20000000 -0.40000000  0.33333333       0.027
  -0.40000000  0.20000000 -0.33333333       0.027
   0.20000000  0.40000000 -0.33333333       0.027
   0.40000000 -0.20000000 -0.33333333       0.027
  -0.20000000 -0.40000000 -0.33333333       0.027
   0.40000000  0.40000000  0.33333333       0.027
  -0.40000000  0.40000000  0.33333333       0.027
  -0.40000000 -0.40000000  0.33333333       0.027
   0.40000000 -0.40000000  0.33333333       0.027
 
 position of ions in fractional coordinates (direct lattice) 
   0.43115134  0.53989933  0.33146506
   0.46146968  0.53158765  0.48389337
   0.96320620  0.02322238  0.41413713
   0.05263245  0.05762591  0.99783897
   0.54987047  0.55634762  0.92722308
   0.54100177  0.54349615  0.07951027
   0.65021422  0.73685168  0.40761911
   0.15209768  0.84609728  0.32846576
   0.16760661  0.82058406  0.49770847
   0.74882616  0.23649553  0.49574472
   0.75009133  0.25048410  0.33102451
   0.24794884  0.33819376  0.40966648
   0.74454398  0.34882081  0.00231117
   0.25857983  0.26536731  0.91353549
   0.23920365  0.25325342  0.08217606
   0.34696777  0.75283505  0.00246792
   0.83981880  0.84437204  0.08153893
   0.84255877  0.84646667  0.91511232
   0.55445119  0.44730394  0.17862935
   0.50690407  0.43123504  0.23064158
   0.74364578  0.22675212  0.27301310
   0.17104315  0.12252564  0.14891239
 
 position of ions in cartesian coordinates  (Angst):
   2.04248031  2.55764890  6.84756242
   2.18610647  2.51827423  9.99649874
   4.56296784  0.11001068  8.55544125
   0.24933413  0.27298949 20.61383071
   2.60488488  2.63556889 19.15501416
   2.56287145  2.57468801  1.64256087
   3.08024032  3.49066536  8.42078890
   0.72052778  4.00819126  6.78560146
   0.79399777  3.88732825 10.28189763
   3.54739170  1.12034318 10.24132955
   3.55338515  1.18661081  6.83846133
   1.17460060  1.60211515  8.46308444
   3.52710586  1.65245836  0.04774525
   1.22496247  1.25711660 18.87224943
   1.13317228  1.19972983  1.69763202
   1.64368001  3.56638290  0.05098346
   3.97844841  4.00001833  1.68446989
   3.99142838  4.00994116 18.90482434
   2.62658499  2.11899954  3.69020983
   2.40134144  2.04287682  4.76470315
   3.52285084  1.07418602  5.64003411
   0.81027758  0.58043704  3.07630278
 


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


 k-point  1 :   0.0000 0.0000 0.0000  plane waves:    8435
 k-point  2 :   0.2000 0.0000 0.0000  plane waves:    8435
 k-point  3 :   0.0000 0.2000 0.0000  plane waves:    8435
 k-point  4 :   0.4000 0.0000 0.0000  plane waves:    8438
 k-point  5 :   0.0000 0.4000 0.0000  plane waves:    8438
 k-point  6 :   0.2000 0.2000 0.0000  plane waves:    8403
 k-point  7 :  -0.2000 0.2000 0.0000  plane waves:    8403
 k-point  8 :   0.4000 0.2000 0.0000  plane waves:    8441
 k-point  9 :  -0.2000 0.4000 0.0000  plane waves:    8441
 k-point 10 :  -0.4000 0.2000 0.0000  plane waves:    8441
 k-point 11 :   0.2000 0.4000 0.0000  plane waves:    8441
 k-point 12 :   0.4000 0.4000 0.0000  plane waves:    8405
 k-point 13 :  -0.4000 0.4000 0.0000  plane waves:    8405
 k-point 14 :   0.0000 0.0000 0.3333  plane waves:    8428
 k-point 15 :   0.2000 0.0000 0.3333  plane waves:    8426
 k-point 16 :   0.0000 0.2000 0.3333  plane waves:    8426
 k-point 17 :  -0.2000 0.0000 0.3333  plane waves:    8426
 k-point 18 :   0.0000-0.2000 0.3333  plane waves:    8426
 k-point 19 :   0.4000 0.0000 0.3333  plane waves:    8445
 k-point 20 :   0.0000 0.4000 0.3333  plane waves:    8445
 k-point 21 :  -0.4000 0.0000 0.3333  plane waves:    8445
 k-point 22 :   0.0000-0.4000 0.3333  plane waves:    8445
 k-point 23 :   0.2000 0.2000 0.3333  plane waves:    8400
 k-point 24 :  -0.2000 0.2000 0.3333  plane waves:    8400
 k-point 25 :  -0.2000-0.2000 0.3333  plane waves:    8400
 k-point 26 :   0.2000-0.2000 0.3333  plane waves:    8400
 k-point 27 :   0.4000 0.2000 0.3333  plane waves:    8427
 k-point 28 :  -0.2000 0.4000 0.3333  plane waves:    8427
 k-point 29 :  -0.4000-0.2000 0.3333  plane waves:    8427
 k-point 30 :   0.2000-0.4000 0.3333  plane waves:    8427
 k-point 31 :  -0.4000 0.2000-0.3333  plane waves:    8427
 k-point 32 :   0.2000 0.4000-0.3333  plane waves:    8427
 k-point 33 :   0.4000-0.2000-0.3333  plane waves:    8427
 k-point 34 :  -0.2000-0.4000-0.3333  plane waves:    8427
 k-point 35 :   0.4000 0.4000 0.3333  plane waves:    8400
 k-point 36 :  -0.4000 0.4000 0.3333  plane waves:    8400
 k-point 37 :  -0.4000-0.4000 0.3333  plane waves:    8400
 k-point 38 :   0.4000-0.4000 0.3333  plane waves:    8400

 maximum and minimum number of plane-waves per node :      8445     8400

 maximum number of plane-waves:      8445
 maximum index in each direction: 
   IXMAX=    8   IYMAX=    8   IZMAX=   33
   IXMIN=   -8   IYMIN=   -8   IZMIN=  -34

 The following grids will avoid any aliasing or wrap around errors in the Hartre
 e energy
  - symmetry arguments have not been applied
  - exchange correlation energies might require even more grid points
  - we recommend to set PREC=Normal or Accurate and rely on VASP defaults
 WARNING: aliasing errors must be expected set NGX to    36 to avoid them
 WARNING: aliasing errors must be expected set NGY to    36 to avoid them
 WARNING: aliasing errors must be expected set NGZ to   140 to avoid them

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


 total amount of memory used by VASP MPI-rank0   329999. kBytes
=======================================================================

   base      :      30000. kBytes
   nonlr-proj:       3436. kBytes
   fftplans  :       8663. kBytes
   grid      :      18533. kBytes
   one-center:        342. kBytes
   wavefun   :     269025. kBytes
 
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 15   NGY = 15   NGZ = 67
  (NGX  = 48   NGY  = 48   NGZ  =216)
  gives a total of  15075 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron     170.0000000 magnetization 
 keeping initial charge density in first step


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


 Maximum index for non-local projection operator         1452
 Maximum index for augmentation-charges         2918 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.229
 Maximum number of real-space cells 4x 4x 1
 Maximum number of reciprocal cells 2x 2x 7



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



 eigenvalue-minimisations  :  7862
 total energy-change (2. order) : 0.2475987E+04  (-0.6558031E+04)
 number of electron     170.0000000 magnetization 
 augmentation part      170.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23195.43836696
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       734.95886116
  PAW double counting   =     14269.25296877   -14517.83836857
  entropy T*S    EENTRO =         0.00163889
  eigenvalues    EBANDS =       425.55971058
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      2475.98739548 eV

  energy without entropy =     2475.98575660  energy(sigma->0) =     2475.98684919


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




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



 eigenvalue-minimisations  :  8856
 total energy-change (2. order) :-0.2105025E+04  (-0.2036538E+04)
 number of electron     170.0000000 magnetization 
 augmentation part      170.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23195.43836696
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       734.95886116
  PAW double counting   =     14269.25296877   -14517.83836857
  entropy T*S    EENTRO =         0.00395964
  eigenvalues    EBANDS =     -1679.46748391
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       370.96252175 eV

  energy without entropy =      370.95856211  energy(sigma->0) =      370.96120187


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




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



 eigenvalue-minimisations  :  8764
 total energy-change (2. order) :-0.4652219E+03  (-0.4530172E+03)
 number of electron     170.0000000 magnetization 
 augmentation part      170.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23195.43836696
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       734.95886116
  PAW double counting   =     14269.25296877   -14517.83836857
  entropy T*S    EENTRO =        -0.00414809
  eigenvalues    EBANDS =     -2144.68127194
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -94.25937402 eV

  energy without entropy =      -94.25522593  energy(sigma->0) =      -94.25799132


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




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



 eigenvalue-minimisations  :  9072
 total energy-change (2. order) :-0.4236568E+02  (-0.4138656E+02)
 number of electron     170.0000000 magnetization 
 augmentation part      170.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23195.43836696
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       734.95886116
  PAW double counting   =     14269.25296877   -14517.83836857
  entropy T*S    EENTRO =        -0.00203183
  eigenvalues    EBANDS =     -2187.04906539
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -136.62505120 eV

  energy without entropy =     -136.62301937  energy(sigma->0) =     -136.62437393


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




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



 eigenvalue-minimisations  :  9208
 total energy-change (2. order) :-0.1715578E+01  (-0.1702968E+01)
 number of electron     169.9999834 magnetization 
 augmentation part       56.9944564 magnetization 

 Broyden mixing:
  rms(total) = 0.28562E+01    rms(broyden)= 0.28512E+01
  rms(prec ) = 0.31121E+01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23195.43836696
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       734.95886116
  PAW double counting   =     14269.25296877   -14517.83836857
  entropy T*S    EENTRO =        -0.00033718
  eigenvalues    EBANDS =     -2188.76633830
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -138.34062947 eV

  energy without entropy =     -138.34029229  energy(sigma->0) =     -138.34051708


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




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



 eigenvalue-minimisations  : 12192
 total energy-change (2. order) : 0.2236232E+02  (-0.9334190E+01)
 number of electron     169.9999876 magnetization 
 augmentation part       53.6935838 magnetization 

 Broyden mixing:
  rms(total) = 0.11813E+01    rms(broyden)= 0.11771E+01
  rms(prec ) = 0.12812E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8515
  0.8515

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23378.66532833
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       748.83878130
  PAW double counting   =     16405.32589552   -16637.93199449
  entropy T*S    EENTRO =        -0.01284049
  eigenvalues    EBANDS =     -2013.02377678
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.97831164 eV

  energy without entropy =     -115.96547115  energy(sigma->0) =     -115.97403148


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




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



 eigenvalue-minimisations  : 10992
 total energy-change (2. order) :-0.8915853E+00  (-0.2882066E+01)
 number of electron     169.9999845 magnetization 
 augmentation part       54.2349397 magnetization 

 Broyden mixing:
  rms(total) = 0.10402E+01    rms(broyden)= 0.10366E+01
  rms(prec ) = 0.11296E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.6934
  0.8145  0.5723

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23346.20771373
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       747.33683514
  PAW double counting   =     17720.57608414   -17958.01327983
  entropy T*S    EENTRO =         0.01435296
  eigenvalues    EBANDS =     -2040.06712724
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -116.86989694 eV

  energy without entropy =     -116.88424990  energy(sigma->0) =     -116.87468126


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




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



 eigenvalue-minimisations  : 10976
 total energy-change (2. order) : 0.1468486E+01  (-0.2692157E+00)
 number of electron     169.9999857 magnetization 
 augmentation part       54.1356470 magnetization 

 Broyden mixing:
  rms(total) = 0.53336E+00    rms(broyden)= 0.53271E+00
  rms(prec ) = 0.55529E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0393
  1.6161  0.9898  0.5121

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23360.04731745
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       747.42594939
  PAW double counting   =     18154.57313843   -18393.33638869
  entropy T*S    EENTRO =        -0.02407117
  eigenvalues    EBANDS =     -2023.48367330
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.40141117 eV

  energy without entropy =     -115.37734000  energy(sigma->0) =     -115.39338745


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




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



 eigenvalue-minimisations  : 10768
 total energy-change (2. order) :-0.1095938E-02  (-0.2268609E+00)
 number of electron     169.9999868 magnetization 
 augmentation part       53.9841236 magnetization 

 Broyden mixing:
  rms(total) = 0.42151E+00    rms(broyden)= 0.41927E+00
  rms(prec ) = 0.51092E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0880
  2.2338  0.9603  0.5790  0.5790

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23369.90095794
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       747.36571741
  PAW double counting   =     19257.54115842   -19499.83412837
  entropy T*S    EENTRO =        -0.03799697
  eigenvalues    EBANDS =     -2010.02725128
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.40250711 eV

  energy without entropy =     -115.36451014  energy(sigma->0) =     -115.38984145


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




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



 eigenvalue-minimisations  : 11616
 total energy-change (2. order) : 0.1096453E+00  (-0.2526028E+00)
 number of electron     169.9999853 magnetization 
 augmentation part       54.2079697 magnetization 

 Broyden mixing:
  rms(total) = 0.21594E+00    rms(broyden)= 0.21112E+00
  rms(prec ) = 0.25618E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0199
  2.3626  0.8575  0.8575  0.5108  0.5108

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23367.96471463
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       747.35788024
  PAW double counting   =     19719.35439332   -19963.74965467
  entropy T*S    EENTRO =         0.00128154
  eigenvalues    EBANDS =     -2009.78299926
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.29286183 eV

  energy without entropy =     -115.29414337  energy(sigma->0) =     -115.29328901


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




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



 eigenvalue-minimisations  : 11584
 total energy-change (2. order) : 0.5705963E-01  (-0.3931075E-01)
 number of electron     169.9999858 magnetization 
 augmentation part       54.0974605 magnetization 

 Broyden mixing:
  rms(total) = 0.65439E-01    rms(broyden)= 0.64514E-01
  rms(prec ) = 0.81620E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0017
  2.3505  0.9250  0.8623  0.8623  0.5051  0.5051

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23377.61254380
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       747.60939918
  PAW double counting   =     19792.05887748   -20036.39989371
  entropy T*S    EENTRO =        -0.02585319
  eigenvalues    EBANDS =     -2000.35673978
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.23580221 eV

  energy without entropy =     -115.20994901  energy(sigma->0) =     -115.22718447


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




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



 eigenvalue-minimisations  : 10360
 total energy-change (2. order) :-0.6616264E-02  (-0.1077684E-01)
 number of electron     169.9999856 magnetization 
 augmentation part       54.1280107 magnetization 

 Broyden mixing:
  rms(total) = 0.96826E-01    rms(broyden)= 0.96403E-01
  rms(prec ) = 0.11777E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0486
  2.1686  1.9289  0.8738  0.8738  0.5395  0.5395  0.4160

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23379.66162710
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       747.62093248
  PAW double counting   =     19794.58805137   -20039.01699476
  entropy T*S    EENTRO =        -0.01336544
  eigenvalues    EBANDS =     -1998.25036665
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.24241847 eV

  energy without entropy =     -115.22905303  energy(sigma->0) =     -115.23796332


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




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



 eigenvalue-minimisations  : 11688
 total energy-change (2. order) : 0.1161492E-01  (-0.4487016E-02)
 number of electron     169.9999858 magnetization 
 augmentation part       54.0808629 magnetization 

 Broyden mixing:
  rms(total) = 0.31926E-01    rms(broyden)= 0.31504E-01
  rms(prec ) = 0.39074E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0803
  2.2366  2.2366  0.9327  0.9327  0.6101  0.6101  0.5417  0.5417

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23387.66619342
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       747.73055424
  PAW double counting   =     19797.06195062   -20041.60016818
  entropy T*S    EENTRO =        -0.02523679
  eigenvalues    EBANDS =     -1990.22266165
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.23080355 eV

  energy without entropy =     -115.20556676  energy(sigma->0) =     -115.22239129


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




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



 eigenvalue-minimisations  :  8840
 total energy-change (2. order) :-0.1336847E-02  (-0.1198931E-02)
 number of electron     169.9999858 magnetization 
 augmentation part       54.0750311 magnetization 

 Broyden mixing:
  rms(total) = 0.16222E-01    rms(broyden)= 0.15737E-01
  rms(prec ) = 0.21981E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0712
  2.3426  2.3426  0.9288  0.9288  0.8325  0.6023  0.6023  0.5303  0.5303

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23390.90710396
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       747.72528525
  PAW double counting   =     19810.42882600   -20055.14311277
  entropy T*S    EENTRO =        -0.02885412
  eigenvalues    EBANDS =     -1986.79813241
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.23214040 eV

  energy without entropy =     -115.20328628  energy(sigma->0) =     -115.22252236


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




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



 eigenvalue-minimisations  : 10400
 total energy-change (2. order) :-0.4354009E-03  (-0.2215381E-03)
 number of electron     169.9999858 magnetization 
 augmentation part       54.0743346 magnetization 

 Broyden mixing:
  rms(total) = 0.17285E-01    rms(broyden)= 0.17228E-01
  rms(prec ) = 0.22500E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1080
  2.4201  2.4201  1.0676  1.0676  0.9015  0.9015  0.5366  0.5366  0.6141  0.6141

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23393.19425147
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       747.73679686
  PAW double counting   =     19805.39508614   -20050.15656962
  entropy T*S    EENTRO =        -0.02893907
  eigenvalues    EBANDS =     -1984.47565026
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.23257580 eV

  energy without entropy =     -115.20363673  energy(sigma->0) =     -115.22292944


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




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



 eigenvalue-minimisations  : 11052
 total energy-change (2. order) :-0.1447917E-03  (-0.2878551E-03)
 number of electron     169.9999858 magnetization 
 augmentation part       54.0862790 magnetization 

 Broyden mixing:
  rms(total) = 0.10051E-01    rms(broyden)= 0.98451E-02
  rms(prec ) = 0.13436E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1701
  2.8935  2.4309  1.4615  0.9544  0.9544  0.9525  0.9525  0.5382  0.5382  0.5974
  0.5974

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23395.71098978
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       747.73958845
  PAW double counting   =     19797.23372608   -20042.02418154
  entropy T*S    EENTRO =        -0.02570754
  eigenvalues    EBANDS =     -1981.93610788
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.23272059 eV

  energy without entropy =     -115.20701305  energy(sigma->0) =     -115.22415141


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




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



 eigenvalue-minimisations  :  9434
 total energy-change (2. order) :-0.6991620E-03  (-0.1751359E-03)
 number of electron     169.9999858 magnetization 
 augmentation part       54.0793051 magnetization 

 Broyden mixing:
  rms(total) = 0.10315E-01    rms(broyden)= 0.10235E-01
  rms(prec ) = 0.12825E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2119
  3.1040  2.2604  2.2604  1.0020  1.0020  0.9527  0.9527  0.5355  0.5355  0.6879
  0.6246  0.6246

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23399.21949691
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       747.76046711
  PAW double counting   =     19792.60204304   -20037.37503109
  entropy T*S    EENTRO =        -0.02813999
  eigenvalues    EBANDS =     -1978.46421354
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.23341975 eV

  energy without entropy =     -115.20527976  energy(sigma->0) =     -115.22403976


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




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



 eigenvalue-minimisations  :  9468
 total energy-change (2. order) :-0.6702572E-03  (-0.1304825E-03)
 number of electron     169.9999858 magnetization 
 augmentation part       54.0857402 magnetization 

 Broyden mixing:
  rms(total) = 0.68368E-02    rms(broyden)= 0.67258E-02
  rms(prec ) = 0.88512E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2922
  3.7906  2.3993  2.1593  1.5954  1.0036  1.0036  0.9300  0.9300  0.5350  0.5350
  0.6054  0.6054  0.7053

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23400.88976928
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       747.76685987
  PAW double counting   =     19791.65552525   -20036.38995258
  entropy T*S    EENTRO =        -0.02581162
  eigenvalues    EBANDS =     -1976.84189326
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.23409001 eV

  energy without entropy =     -115.20827839  energy(sigma->0) =     -115.22548614


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




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



 eigenvalue-minimisations  :  8970
 total energy-change (2. order) :-0.7969097E-03  (-0.4061172E-04)
 number of electron     169.9999858 magnetization 
 augmentation part       54.0842170 magnetization 

 Broyden mixing:
  rms(total) = 0.29746E-02    rms(broyden)= 0.29720E-02
  rms(prec ) = 0.36284E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3747
  4.8423  2.6714  2.3167  1.7567  0.9301  0.9301  1.0009  1.0009  0.5351  0.5351
  0.7650  0.7650  0.5980  0.5980

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23402.71686028
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       747.77394535
  PAW double counting   =     19792.24933259   -20036.94218837
  entropy T*S    EENTRO =        -0.02659673
  eigenvalues    EBANDS =     -1975.06347110
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.23488692 eV

  energy without entropy =     -115.20829019  energy(sigma->0) =     -115.22602134


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




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



 eigenvalue-minimisations  :  8464
 total energy-change (2. order) :-0.2596774E-03  (-0.7361122E-05)
 number of electron     169.9999858 magnetization 
 augmentation part       54.0838961 magnetization 

 Broyden mixing:
  rms(total) = 0.24011E-02    rms(broyden)= 0.23996E-02
  rms(prec ) = 0.28974E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4395
  6.0294  2.6219  2.4061  1.8198  1.1634  0.9674  0.9674  0.8947  0.8947  0.9303
  0.5352  0.5352  0.6037  0.6037  0.6199

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23403.30668817
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       747.77675087
  PAW double counting   =     19793.21314366   -20037.89338244
  entropy T*S    EENTRO =        -0.02670485
  eigenvalues    EBANDS =     -1974.48921730
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.23514660 eV

  energy without entropy =     -115.20844175  energy(sigma->0) =     -115.22624498


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




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



 eigenvalue-minimisations  :  5896
 total energy-change (2. order) :-0.6929652E-04  (-0.4031712E-05)
 number of electron     169.9999858 magnetization 
 augmentation part       54.0827127 magnetization 

 Broyden mixing:
  rms(total) = 0.11216E-02    rms(broyden)= 0.10817E-02
  rms(prec ) = 0.13131E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5056
  6.7231  2.8021  2.5061  1.8143  1.8143  0.9893  0.9893  0.9316  0.9316  0.8292
  0.8292  0.5352  0.5352  0.6048  0.6048  0.6498

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23403.53597028
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       747.77790933
  PAW double counting   =     19793.74003439   -20038.42433253
  entropy T*S    EENTRO =        -0.02707789
  eigenvalues    EBANDS =     -1974.25673054
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.23521589 eV

  energy without entropy =     -115.20813800  energy(sigma->0) =     -115.22618993


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




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



 eigenvalue-minimisations  :  5920
 total energy-change (2. order) :-0.3608454E-04  (-0.1525907E-05)
 number of electron     169.9999858 magnetization 
 augmentation part       54.0830702 magnetization 

 Broyden mixing:
  rms(total) = 0.24065E-03    rms(broyden)= 0.23881E-03
  rms(prec ) = 0.34407E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5187
  7.0667  2.9084  2.3000  2.3000  1.4385  1.4385  0.9126  0.9126  0.9960  0.9960
  0.5352  0.5352  0.8148  0.8148  0.6047  0.6047  0.6400

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23403.60696792
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       747.77775495
  PAW double counting   =     19793.99955411   -20038.68733358
  entropy T*S    EENTRO =        -0.02690509
  eigenvalues    EBANDS =     -1974.18230606
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.23525198 eV

  energy without entropy =     -115.20834688  energy(sigma->0) =     -115.22628361


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




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



 eigenvalue-minimisations  :  5648
 total energy-change (2. order) :-0.1025081E-04  (-0.4822492E-06)
 number of electron     169.9999858 magnetization 
 augmentation part       54.0830733 magnetization 

 Broyden mixing:
  rms(total) = 0.12586E-03    rms(broyden)= 0.12547E-03
  rms(prec ) = 0.15309E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5258
  7.3382  3.0858  2.2214  2.2214  1.6301  1.6301  0.9093  0.9093  0.9528  0.9528
  0.9613  0.9613  0.5352  0.5352  0.7754  0.6054  0.6054  0.6346

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23403.62902123
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       747.77725204
  PAW double counting   =     19793.98551810   -20038.67464339
  entropy T*S    EENTRO =        -0.02694102
  eigenvalues    EBANDS =     -1974.15837835
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.23526223 eV

  energy without entropy =     -115.20832121  energy(sigma->0) =     -115.22628189


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




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



 eigenvalue-minimisations  :  5272
 total energy-change (2. order) :-0.3425888E-05  (-0.1510289E-06)
 number of electron     169.9999858 magnetization 
 augmentation part       54.0830733 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       296.66433517
  Ewald energy   TEWEN  =      7027.55780597
  -Hartree energ DENC   =    -23403.62891450
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       747.77709200
  PAW double counting   =     19794.03720560   -20038.72645599
  entropy T*S    EENTRO =        -0.02691538
  eigenvalues    EBANDS =     -1974.15822901
  atomic energy  EATOM  =     17435.26881048
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -115.23526566 eV

  energy without entropy =     -115.20835028  energy(sigma->0) =     -115.22629386


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




 average (electrostatic) potential at core
  the test charge radii are     1.0894  0.7215  0.5201
  (the norm of the test charge is              1.0000)
       1-106.2556       2-106.1110       3-105.9901       4-105.8594       5-105.9397
       6-106.2336       7 -74.5052       8 -73.6399       9 -73.7402      10 -73.7666
      11 -74.9871      12 -74.6804      13 -74.5487      14 -73.6388      15 -75.2964
      16 -74.5047      17 -73.2903      18 -73.4798      19 -77.4079      20 -77.7222
      21 -37.4953      22 -37.6321
 
 
 
 E-fermi :   1.1455     XC(G=0):  -7.0284     alpha+bet : -7.0579


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -28.6613      2.00000
      2     -21.3813      2.00000
      3     -21.3296      2.00000
      4     -21.2045      2.00000
      5     -21.1414      2.00000
      6     -21.0473      2.00000
      7     -20.9508      2.00000
      8     -20.8604      2.00000
      9     -20.8144      2.00000
     10     -20.7620      2.00000
     11     -20.7154      2.00000
     12     -20.6497      2.00000
     13     -20.6463      2.00000
     14     -20.6195      2.00000
     15     -20.5905      2.00000
     16     -20.5823      2.00000
     17     -20.5766      2.00000
     18     -20.5689      2.00000
     19     -20.5331      2.00000
     20     -20.4850      2.00000
     21     -20.4642      2.00000
     22     -20.4444      2.00000
     23     -20.4017      2.00000
     24     -20.3930      2.00000
     25     -20.3556      2.00000
     26     -20.2879      2.00000
     27     -20.2752      2.00000
     28     -20.2626      2.00000
     29     -20.2388      2.00000
     30     -20.1985      2.00000
     31     -20.1771      2.00000
     32     -18.5732      2.00000
     33     -18.4436      2.00000
     34     -17.4861      2.00000
     35     -17.1273      2.00000
     36     -16.9209      2.00000
     37     -16.8567      2.00000
     38     -16.1714      2.00000
     39     -15.9192      2.00000
     40     -15.9136      2.00000
     41     -15.6308      2.00000
     42     -15.4119      2.00000
     43     -15.2031      2.00000
     44     -13.6920      2.00000
     45      -9.5384      2.00000
     46      -8.0726      2.00000
     47      -7.8702      2.00000
     48      -7.7939      2.00000
     49      -7.6177      2.00000
     50      -6.3485      2.00000
     51      -6.1685      2.00000
     52      -5.2217      2.00000
     53      -4.7611      2.00000
     54      -3.9731      2.00000
     55      -3.9254      2.00000
     56      -3.8659      2.00000
     57      -3.8131      2.00000
     58      -3.5289      2.00000
     59      -3.5119      2.00000
     60      -3.4595      2.00000
     61      -3.3666      2.00000
     62      -3.0125      2.00000
     63      -2.8848      2.00000
     64      -2.8176      2.00000
     65      -2.7798      2.00000
     66      -2.5736      2.00000
     67      -2.4358      2.00000
     68      -2.2056      2.00000
     69      -2.0897      2.00000
     70      -1.7383      2.00000
     71      -1.6365      2.00000
     72      -1.6043      2.00000
     73      -1.5915      2.00000
     74      -1.0295      2.00000
     75      -0.8734      2.00000
     76      -0.8472      2.00000
     77      -0.8396      2.00000
     78      -0.6419      2.00000
     79      -0.5060      2.00000
     80      -0.4886      2.00000
     81      -0.4158      2.00000
     82      -0.2767      2.00000
     83      -0.1008      2.00000
     84       0.3634      2.00000
     85       0.4669      2.00002
     86       0.8115      2.03974
     87       1.0917      1.43738
     88       1.7851     -0.00006
     89       2.1865     -0.00000
     90       2.9026     -0.00000
     91       4.2432     -0.00000
     92       4.5057     -0.00000
     93       4.6307     -0.00000
     94       4.7626     -0.00000
     95       5.4623     -0.00000
     96       6.0070     -0.00000
     97       6.2125     -0.00000
     98       6.4022     -0.00000
     99       6.5797      0.00000
    100       6.8906      0.00000
    101       7.0124      0.00000
    102       7.9717      0.00000

 k-point     2 :       0.2000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -28.6611      2.00000
      2     -21.3887      2.00000
      3     -21.3299      2.00000
      4     -21.2213      2.00000
      5     -21.1746      2.00000
      6     -21.0645      2.00000
      7     -20.9493      2.00000
      8     -20.8559      2.00000
      9     -20.8095      2.00000
     10     -20.7684      2.00000
     11     -20.6906      2.00000
     12     -20.6745      2.00000
     13     -20.6462      2.00000
     14     -20.6064      2.00000
     15     -20.5757      2.00000
     16     -20.5693      2.00000
     17     -20.5596      2.00000
     18     -20.5457      2.00000
     19     -20.5324      2.00000
     20     -20.4834      2.00000
     21     -20.4472      2.00000
     22     -20.4199      2.00000
     23     -20.3974      2.00000
     24     -20.3903      2.00000
     25     -20.3586      2.00000
     26     -20.2883      2.00000
     27     -20.2825      2.00000
     28     -20.2560      2.00000
     29     -20.2335      2.00000
     30     -20.2009      2.00000
     31     -20.1782      2.00000
     32     -18.5475      2.00000
     33     -18.4211      2.00000
     34     -17.5841      2.00000
     35     -17.2737      2.00000
     36     -16.8722      2.00000
     37     -16.7537      2.00000
     38     -16.2363      2.00000
     39     -15.9967      2.00000
     40     -15.8587      2.00000
     41     -15.5505      2.00000
     42     -15.4197      2.00000
     43     -15.2170      2.00000
     44     -13.6803      2.00000
     45      -9.4880      2.00000
     46      -7.9916      2.00000
     47      -7.7604      2.00000
     48      -7.6393      2.00000
     49      -7.5384      2.00000
     50      -6.3403      2.00000
     51      -6.1650      2.00000
     52      -5.3764      2.00000
     53      -5.0667      2.00000
     54      -4.5477      2.00000
     55      -4.3315      2.00000
     56      -4.1670      2.00000
     57      -4.1096      2.00000
     58      -3.6649      2.00000
     59      -3.5587      2.00000
     60      -3.4126      2.00000
     61      -3.2288      2.00000
     62      -3.0824      2.00000
     63      -2.8961      2.00000
     64      -2.8059      2.00000
     65      -2.6968      2.00000
     66      -2.4890      2.00000
     67      -2.2722      2.00000
     68      -2.1635      2.00000
     69      -1.9394      2.00000
     70      -1.7324      2.00000
     71      -1.7218      2.00000
     72      -1.4068      2.00000
     73      -1.3673      2.00000
     74      -1.0947      2.00000
     75      -0.9245      2.00000
     76      -0.9092      2.00000
     77      -0.7499      2.00000
     78      -0.6203      2.00000
     79      -0.5369      2.00000
     80      -0.5290      2.00000
     81      -0.4926      2.00000
     82      -0.3235      2.00000
     83      -0.2012      2.00000
     84       0.6550      2.00285
     85       1.0012      1.93449
     86       1.1357      1.08303
     87       1.3270     -0.02527
     88       1.9821     -0.00000
     89       2.4569     -0.00000
     90       3.0877     -0.00000
     91       4.2029     -0.00000
     92       4.5414     -0.00000
     93       4.7486     -0.00000
     94       4.9679     -0.00000
     95       5.4535     -0.00000
     96       6.2053     -0.00000
     97       6.3256     -0.00000
     98       6.4812      0.00000
     99       6.7157      0.00000
    100       7.0314      0.00000
    101       7.1215      0.00000
    102       7.8376      0.00000

 k-point     3 :       0.0000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -28.6611      2.00000
      2     -21.3882      2.00000
      3     -21.3283      2.00000
      4     -21.2212      2.00000
      5     -21.1786      2.00000
      6     -21.0650      2.00000
      7     -20.9471      2.00000
      8     -20.8561      2.00000
      9     -20.8097      2.00000
     10     -20.7682      2.00000
     11     -20.6901      2.00000
     12     -20.6735      2.00000
     13     -20.6465      2.00000
     14     -20.6054      2.00000
     15     -20.5756      2.00000
     16     -20.5709      2.00000
     17     -20.5596      2.00000
     18     -20.5455      2.00000
     19     -20.5327      2.00000
     20     -20.4833      2.00000
     21     -20.4473      2.00000
     22     -20.4203      2.00000
     23     -20.3976      2.00000
     24     -20.3902      2.00000
     25     -20.3585      2.00000
     26     -20.2884      2.00000
     27     -20.2824      2.00000
     28     -20.2561      2.00000
     29     -20.2334      2.00000
     30     -20.2008      2.00000
     31     -20.1782      2.00000
     32     -18.5529      2.00000
     33     -18.4225      2.00000
     34     -17.5710      2.00000
     35     -17.2760      2.00000
     36     -16.8820      2.00000
     37     -16.7479      2.00000
     38     -16.2385      2.00000
     39     -15.9966      2.00000
     40     -15.8557      2.00000
     41     -15.5496      2.00000
     42     -15.4179      2.00000
     43     -15.2196      2.00000
     44     -13.6809      2.00000
     45      -9.4877      2.00000
     46      -7.9884      2.00000
     47      -7.7565      2.00000
     48      -7.6497      2.00000
     49      -7.5336      2.00000
     50      -6.3470      2.00000
     51      -6.1710      2.00000
     52      -5.3693      2.00000
     53      -5.0453      2.00000
     54      -4.5393      2.00000
     55      -4.3550      2.00000
     56      -4.1867      2.00000
     57      -4.1231      2.00000
     58      -3.6638      2.00000
     59      -3.5165      2.00000
     60      -3.4126      2.00000
     61      -3.2494      2.00000
     62      -3.1060      2.00000
     63      -2.9394      2.00000
     64      -2.7657      2.00000
     65      -2.6527      2.00000
     66      -2.4978      2.00000
     67      -2.2615      2.00000
     68      -2.1376      2.00000
     69      -1.9359      2.00000
     70      -1.7500      2.00000
     71      -1.7395      2.00000
     72      -1.4355      2.00000
     73      -1.3469      2.00000
     74      -1.0917      2.00000
     75      -0.9248      2.00000
     76      -0.8763      2.00000
     77      -0.7807      2.00000
     78      -0.6211      2.00000
     79      -0.5494      2.00000
     80      -0.5113      2.00000
     81      -0.4956      2.00000
     82      -0.3254      2.00000
     83      -0.1953      2.00000
     84       0.6373      2.00193
     85       1.0016      1.93307
     86       1.1438      1.01469
     87       1.3143     -0.00090
     88       1.9827     -0.00000
     89       2.4640     -0.00000
     90       3.0763     -0.00000
     91       4.2098     -0.00000
     92       4.5239     -0.00000
     93       4.7821     -0.00000
     94       4.9551     -0.00000
     95       5.5098     -0.00000
     96       6.1478     -0.00000
     97       6.3195     -0.00000
     98       6.4413     -0.00000
     99       6.7327      0.00000
    100       7.0255      0.00000
    101       7.1271      0.00000
    102       7.7632      0.00000

 k-point     4 :       0.4000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -28.6608      2.00000
      2     -21.4069      2.00000
      3     -21.3351      2.00000
      4     -21.2345      2.00000
      5     -21.2115      2.00000
      6     -21.0879      2.00000
      7     -20.9507      2.00000
      8     -20.8506      2.00000
      9     -20.8013      2.00000
     10     -20.7728      2.00000
     11     -20.7014      2.00000
     12     -20.6587      2.00000
     13     -20.6465      2.00000
     14     -20.6025      2.00000
     15     -20.5743      2.00000
     16     -20.5693      2.00000
     17     -20.5343      2.00000
     18     -20.5205      2.00000
     19     -20.4839      2.00000
     20     -20.4820      2.00000
     21     -20.4510      2.00000
     22     -20.3887      2.00000
     23     -20.3864      2.00000
     24     -20.3656      2.00000
     25     -20.3552      2.00000
     26     -20.2897      2.00000
     27     -20.2889      2.00000
     28     -20.2506      2.00000
     29     -20.2215      2.00000
     30     -20.2079      2.00000
     31     -20.1803      2.00000
     32     -18.4437      2.00000
     33     -18.3333      2.00000
     34     -17.8083      2.00000
     35     -17.5256      2.00000
     36     -16.8571      2.00000
     37     -16.6762      2.00000
     38     -16.1836      2.00000
     39     -15.9742      2.00000
     40     -15.7947      2.00000
     41     -15.4885      2.00000
     42     -15.4637      2.00000
     43     -15.2939      2.00000
     44     -13.6638      2.00000
     45      -9.4166      2.00000
     46      -7.9878      2.00000
     47      -7.6759      2.00000
     48      -7.0688      2.00000
     49      -6.9439      2.00000
     50      -6.3399      2.00000
     51      -6.1782      2.00000
     52      -6.0353      2.00000
     53      -5.9389      2.00000
     54      -4.9193      2.00000
     55      -4.7666      2.00000
     56      -4.5559      2.00000
     57      -4.4087      2.00000
     58      -3.8958      2.00000
     59      -3.7013      2.00000
     60      -3.4820      2.00000
     61      -3.2943      2.00000
     62      -3.2253      2.00000
     63      -2.9947      2.00000
     64      -2.6427      2.00000
     65      -2.5505      2.00000
     66      -2.2813      2.00000
     67      -2.1538      2.00000
     68      -2.1279      2.00000
     69      -1.9492      2.00000
     70      -1.6370      2.00000
     71      -1.6269      2.00000
     72      -1.2336      2.00000
     73      -1.1255      2.00000
     74      -1.0905      2.00000
     75      -0.9123      2.00000
     76      -0.8495      2.00000
     77      -0.6764      2.00000
     78      -0.6666      2.00000
     79      -0.6054      2.00000
     80      -0.5641      2.00000
     81      -0.4861      2.00000
     82      -0.3347      2.00000
     83      -0.2808      2.00000
     84       0.7440      2.01559
     85       1.0537      1.69383
     86       1.7050     -0.00055
     87       2.3401     -0.00000
     88       2.6217     -0.00000
     89       3.0071     -0.00000
     90       3.4582     -0.00000
     91       3.9432     -0.00000
     92       4.3027     -0.00000
     93       5.0610     -0.00000
     94       5.3754     -0.00000
     95       5.5191     -0.00000
     96       6.4049     -0.00000
     97       6.4714      0.00000
     98       6.7379      0.00000
     99       6.9302      0.00000
    100       7.1664      0.00000
    101       7.2923      0.00000
    102       7.5574      0.00000

 k-point     5 :       0.0000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -28.6613      2.00000
      2     -21.4057      2.00000
      3     -21.3303      2.00000
      4     -21.2345      2.00000
      5     -21.2201      2.00000
      6     -21.0886      2.00000
      7     -20.9489      2.00000
      8     -20.8506      2.00000
      9     -20.8017      2.00000
     10     -20.7732      2.00000
     11     -20.6978      2.00000
     12     -20.6593      2.00000
     13     -20.6468      2.00000
     14     -20.5973      2.00000
     15     -20.5740      2.00000
     16     -20.5713      2.00000
     17     -20.5349      2.00000
     18     -20.5195      2.00000
     19     -20.4840      2.00000
     20     -20.4828      2.00000
     21     -20.4513      2.00000
     22     -20.3895      2.00000
     23     -20.3856      2.00000
     24     -20.3657      2.00000
     25     -20.3571      2.00000
     26     -20.2895      2.00000
     27     -20.2891      2.00000
     28     -20.2507      2.00000
     29     -20.2214      2.00000
     30     -20.2078      2.00000
     31     -20.1802      2.00000
     32     -18.4651      2.00000
     33     -18.3393      2.00000
     34     -17.7716      2.00000
     35     -17.5225      2.00000
     36     -16.8760      2.00000
     37     -16.6715      2.00000
     38     -16.1937      2.00000
     39     -15.9658      2.00000
     40     -15.7818      2.00000
     41     -15.4868      2.00000
     42     -15.4683      2.00000
     43     -15.2972      2.00000
     44     -13.6651      2.00000
     45      -9.4155      2.00000
     46      -7.9720      2.00000
     47      -7.6952      2.00000
     48      -7.0631      2.00000
     49      -6.9417      2.00000
     50      -6.3727      2.00000
     51      -6.1905      2.00000
     52      -6.0203      2.00000
     53      -5.9273      2.00000
     54      -4.8848      2.00000
     55      -4.7666      2.00000
     56      -4.5856      2.00000
     57      -4.4100      2.00000
     58      -3.9081      2.00000
     59      -3.6546      2.00000
     60      -3.4710      2.00000
     61      -3.3313      2.00000
     62      -3.2775      2.00000
     63      -3.0800      2.00000
     64      -2.5680      2.00000
     65      -2.4476      2.00000
     66      -2.2737      2.00000
     67      -2.1815      2.00000
     68      -2.0927      2.00000
     69      -1.8871      2.00000
     70      -1.6828      2.00000
     71      -1.6619      2.00000
     72      -1.2698      2.00000
     73      -1.1417      2.00000
     74      -1.0807      2.00000
     75      -0.9187      2.00000
     76      -0.8071      2.00000
     77      -0.6895      2.00000
     78      -0.6620      2.00000
     79      -0.6068      2.00000
     80      -0.5789      2.00000
     81      -0.4867      2.00000
     82      -0.3405      2.00000
     83      -0.2867      2.00000
     84       0.7181      2.01001
     85       1.0694      1.59517
     86       1.7062     -0.00054
     87       2.3496     -0.00000
     88       2.6019     -0.00000
     89       3.0313     -0.00000
     90       3.3875     -0.00000
     91       3.9594     -0.00000
     92       4.2979     -0.00000
     93       5.2076     -0.00000
     94       5.3465     -0.00000
     95       5.6040     -0.00000
     96       6.1784     -0.00000
     97       6.4382     -0.00000
     98       6.7413      0.00000
     99       6.9712      0.00000
    100       7.1416      0.00000
    101       7.2406      0.00000
    102       7.4987      0.00000

 k-point     6 :       0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -28.6604      2.00000
      2     -21.4190      2.00000
      3     -21.2966      2.00000
      4     -21.2377      2.00000
      5     -21.1441      2.00000
      6     -21.0247      2.00000
      7     -21.0109      2.00000
      8     -20.8567      2.00000
      9     -20.8115      2.00000
     10     -20.7683      2.00000
     11     -20.6786      2.00000
     12     -20.6547      2.00000
     13     -20.6490      2.00000
     14     -20.6290      2.00000
     15     -20.6086      2.00000
     16     -20.5776      2.00000
     17     -20.5743      2.00000
     18     -20.5679      2.00000
     19     -20.5327      2.00000
     20     -20.4823      2.00000
     21     -20.4456      2.00000
     22     -20.3942      2.00000
     23     -20.3914      2.00000
     24     -20.3622      2.00000
     25     -20.3582      2.00000
     26     -20.2892      2.00000
     27     -20.2889      2.00000
     28     -20.2500      2.00000
     29     -20.2303      2.00000
     30     -20.2025      2.00000
     31     -20.1776      2.00000
     32     -18.5542      2.00000
     33     -18.2629      2.00000
     34     -17.6020      2.00000
     35     -17.2145      2.00000
     36     -16.8913      2.00000
     37     -16.7839      2.00000
     38     -16.1644      2.00000
     39     -16.1410      2.00000
     40     -15.9299      2.00000
     41     -15.5062      2.00000
     42     -15.4719      2.00000
     43     -15.2278      2.00000
     44     -13.6793      2.00000
     45      -9.4688      2.00000
     46      -7.9376      2.00000
     47      -7.7540      2.00000
     48      -7.5217      2.00000
     49      -7.3095      2.00000
     50      -6.5817      2.00000
     51      -6.1224      2.00000
     52      -5.9637      2.00000
     53      -4.8927      2.00000
     54      -4.8800      2.00000
     55      -4.4247      2.00000
     56      -4.0446      2.00000
     57      -3.9009      2.00000
     58      -3.8579      2.00000
     59      -3.7307      2.00000
     60      -3.3984      2.00000
     61      -3.2279      2.00000
     62      -3.1006      2.00000
     63      -2.9292      2.00000
     64      -2.7941      2.00000
     65      -2.6694      2.00000
     66      -2.5406      2.00000
     67      -2.4336      2.00000
     68      -1.9965      2.00000
     69      -1.9460      2.00000
     70      -1.7403      2.00000
     71      -1.5742      2.00000
     72      -1.2613      2.00000
     73      -1.1460      2.00000
     74      -1.0288      2.00000
     75      -0.9962      2.00000
     76      -0.9428      2.00000
     77      -0.8827      2.00000
     78      -0.7646      2.00000
     79      -0.6774      2.00000
     80      -0.4223      2.00000
     81      -0.3790      2.00000
     82      -0.2633      2.00000
     83      -0.1208      2.00000
     84       0.7163      2.00970
     85       0.9974      1.94636
     86       1.3290     -0.02856
     87       1.5391     -0.01772
     88       2.2806     -0.00000
     89       2.4447     -0.00000
     90       3.3736     -0.00000
     91       4.0952     -0.00000
     92       4.3205     -0.00000
     93       5.0674     -0.00000
     94       5.1759     -0.00000
     95       5.5530     -0.00000
     96       6.3004     -0.00000
     97       6.4260     -0.00000
     98       6.5497      0.00000
     99       6.8585      0.00000
    100       6.9229      0.00000
    101       7.2026      0.00000
    102       7.4853      0.00000

 k-point     7 :      -0.2000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -28.6606      2.00000
      2     -21.3474      2.00000
      3     -21.3394      2.00000
      4     -21.2099      2.00000
      5     -21.2077      2.00000
      6     -21.1179      2.00000
      7     -20.9076      2.00000
      8     -20.8506      2.00000
      9     -20.8080      2.00000
     10     -20.7983      2.00000
     11     -20.7558      2.00000
     12     -20.6871      2.00000
     13     -20.6464      2.00000
     14     -20.6014      2.00000
     15     -20.5752      2.00000
     16     -20.5703      2.00000
     17     -20.5341      2.00000
     18     -20.5126      2.00000
     19     -20.4823      2.00000
     20     -20.4769      2.00000
     21     -20.4505      2.00000
     22     -20.4474      2.00000
     23     -20.3944      2.00000
     24     -20.3869      2.00000
     25     -20.3590      2.00000
     26     -20.2881      2.00000
     27     -20.2766      2.00000
     28     -20.2623      2.00000
     29     -20.2280      2.00000
     30     -20.2027      2.00000
     31     -20.1804      2.00000
     32     -18.4391      2.00000
     33     -18.4159      2.00000
     34     -17.5429      2.00000
     35     -17.3238      2.00000
     36     -16.9553      2.00000
     37     -16.6166      2.00000
     38     -16.3604      2.00000
     39     -15.9273      2.00000
     40     -15.8293      2.00000
     41     -15.6262      2.00000
     42     -15.4205      2.00000
     43     -15.2964      2.00000
     44     -13.6834      2.00000
     45      -9.4706      2.00000
     46      -8.0509      2.00000
     47      -7.6849      2.00000
     48      -7.5955      2.00000
     49      -7.2131      2.00000
     50      -6.4905      2.00000
     51      -6.2229      2.00000
     52      -5.7943      2.00000
     53      -5.1063      2.00000
     54      -4.4940      2.00000
     55      -4.4798      2.00000
     56      -4.1388      2.00000
     57      -4.0576      2.00000
     58      -3.9534      2.00000
     59      -3.8032      2.00000
     60      -3.3677      2.00000
     61      -3.3390      2.00000
     62      -3.0964      2.00000
     63      -2.8450      2.00000
     64      -2.8192      2.00000
     65      -2.6478      2.00000
     66      -2.5703      2.00000
     67      -2.2662      2.00000
     68      -2.1952      2.00000
     69      -1.9853      2.00000
     70      -1.5117      2.00000
     71      -1.4563      2.00000
     72      -1.3317      2.00000
     73      -1.1969      2.00000
     74      -1.1785      2.00000
     75      -0.9181      2.00000
     76      -0.8325      2.00000
     77      -0.7559      2.00000
     78      -0.7399      2.00000
     79      -0.6287      2.00000
     80      -0.5652      2.00000
     81      -0.3719      2.00000
     82      -0.3250      2.00000
     83      -0.1354      2.00000
     84       0.6362      2.00188
     85       1.0997      1.37700
     86       1.2786      0.10571
     87       1.8632     -0.00000
     88       2.0149     -0.00000
     89       2.7534     -0.00000
     90       3.0418     -0.00000
     91       3.8395     -0.00000
     92       4.6962     -0.00000
     93       4.9622     -0.00000
     94       5.2452     -0.00000
     95       5.4890     -0.00000
     96       6.3133     -0.00000
     97       6.3943     -0.00000
     98       6.5395      0.00000
     99       6.7980      0.00000
    100       6.9983      0.00000
    101       7.1528      0.00000
    102       7.5186      0.00000

 k-point     8 :       0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -28.6604      2.00000
      2     -21.4004      2.00000
      3     -21.2906      2.00000
      4     -21.2401      2.00000
      5     -21.1902      2.00000
      6     -21.0513      2.00000
      7     -20.9754      2.00000
      8     -20.8553      2.00000
      9     -20.8030      2.00000
     10     -20.7759      2.00000
     11     -20.7291      2.00000
     12     -20.6818      2.00000
     13     -20.6425      2.00000
     14     -20.6174      2.00000
     15     -20.6054      2.00000
     16     -20.5731      2.00000
     17     -20.5682      2.00000
     18     -20.5479      2.00000
     19     -20.5322      2.00000
     20     -20.4820      2.00000
     21     -20.4479      2.00000
     22     -20.3902      2.00000
     23     -20.3851      2.00000
     24     -20.3659      2.00000
     25     -20.3572      2.00000
     26     -20.2894      2.00000
     27     -20.2893      2.00000
     28     -20.2502      2.00000
     29     -20.2206      2.00000
     30     -20.2074      2.00000
     31     -20.1793      2.00000
     32     -18.3411      2.00000
     33     -18.0965      2.00000
     34     -17.7272      2.00000
     35     -17.4320      2.00000
     36     -16.7839      2.00000
     37     -16.7643      2.00000
     38     -16.1834      2.00000
     39     -16.0976      2.00000
     40     -15.8790      2.00000
     41     -15.6312      2.00000
     42     -15.5041      2.00000
     43     -15.3373      2.00000
     44     -13.6832      2.00000
     45      -9.4512      2.00000
     46      -7.9765      2.00000
     47      -7.6983      2.00000
     48      -7.1914      2.00000
     49      -6.8268      2.00000
     50      -6.5908      2.00000
     51      -6.5098      2.00000
     52      -6.2819      2.00000
     53      -5.3825      2.00000
     54      -5.0097      2.00000
     55      -4.7172      2.00000
     56      -4.2551      2.00000
     57      -4.2044      2.00000
     58      -3.7780      2.00000
     59      -3.5870      2.00000
     60      -3.4849      2.00000
     61      -3.3679      2.00000
     62      -3.1026      2.00000
     63      -3.0191      2.00000
     64      -2.7538      2.00000
     65      -2.7124      2.00000
     66      -2.3415      2.00000
     67      -2.2824      2.00000
     68      -2.1221      2.00000
     69      -1.9272      2.00000
     70      -1.5297      2.00000
     71      -1.5100      2.00000
     72      -1.1752      2.00000
     73      -1.1127      2.00000
     74      -1.0726      2.00000
     75      -0.9256      2.00000
     76      -0.8860      2.00000
     77      -0.7846      2.00000
     78      -0.7556      2.00000
     79      -0.6010      2.00000
     80      -0.4182      2.00000
     81      -0.3515      2.00000
     82      -0.2641      2.00000
     83      -0.1064      2.00000
     84       0.7467      2.01628
     85       1.0294      1.82219
     86       1.7695     -0.00009
     87       1.9954     -0.00000
     88       2.6680     -0.00000
     89       2.8080     -0.00000
     90       3.4363     -0.00000
     91       3.8618     -0.00000
     92       4.1324     -0.00000
     93       5.1305     -0.00000
     94       5.4627     -0.00000
     95       5.6941     -0.00000
     96       6.3987     -0.00000
     97       6.5992      0.00000
     98       6.7468      0.00000
     99       7.0796      0.00000
    100       7.1606      0.00000
    101       7.4457      0.00000
    102       7.6826      0.00000

 k-point     9 :      -0.2000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -28.6609      2.00000
      2     -21.3478      2.00000
      3     -21.3216      2.00000
      4     -21.2295      2.00000
      5     -21.2244      2.00000
      6     -21.0986      2.00000
      7     -20.9236      2.00000
      8     -20.8522      2.00000
      9     -20.8169      2.00000
     10     -20.7962      2.00000
     11     -20.7459      2.00000
     12     -20.7069      2.00000
     13     -20.6464      2.00000
     14     -20.5990      2.00000
     15     -20.5736      2.00000
     16     -20.5704      2.00000
     17     -20.5482      2.00000
     18     -20.5328      2.00000
     19     -20.4846      2.00000
     20     -20.4798      2.00000
     21     -20.4510      2.00000
     22     -20.4161      2.00000
     23     -20.3881      2.00000
     24     -20.3855      2.00000
     25     -20.3634      2.00000
     26     -20.2887      2.00000
     27     -20.2832      2.00000
     28     -20.2562      2.00000
     29     -20.2180      2.00000
     30     -20.2085      2.00000
     31     -20.1811      2.00000
     32     -18.2678      2.00000
     33     -18.2275      2.00000
     34     -17.6610      2.00000
     35     -17.4539      2.00000
     36     -16.9242      2.00000
     37     -16.6083      2.00000
     38     -16.2862      2.00000
     39     -15.9648      2.00000
     40     -15.8735      2.00000
     41     -15.5492      2.00000
     42     -15.5281      2.00000
     43     -15.4331      2.00000
     44     -13.6864      2.00000
     45      -9.4512      2.00000
     46      -8.0132      2.00000
     47      -7.6925      2.00000
     48      -7.2876      2.00000
     49      -6.7233      2.00000
     50      -6.5089      2.00000
     51      -6.4371      2.00000
     52      -6.3233      2.00000
     53      -5.4760      2.00000
     54      -4.9784      2.00000
     55      -4.6240      2.00000
     56      -4.3313      2.00000
     57      -4.2052      2.00000
     58      -3.8616      2.00000
     59      -3.6904      2.00000
     60      -3.5127      2.00000
     61      -3.2908      2.00000
     62      -3.2342      2.00000
     63      -2.9503      2.00000
     64      -2.7782      2.00000
     65      -2.5457      2.00000
     66      -2.3905      2.00000
     67      -2.2396      2.00000
     68      -2.1562      2.00000
     69      -1.9418      2.00000
     70      -1.4805      2.00000
     71      -1.4197      2.00000
     72      -1.2373      2.00000
     73      -1.1237      2.00000
     74      -1.0105      2.00000
     75      -0.9621      2.00000
     76      -0.9560      2.00000
     77      -0.7259      2.00000
     78      -0.6989      2.00000
     79      -0.6101      2.00000
     80      -0.4849      2.00000
     81      -0.3080      2.00000
     82      -0.2778      2.00000
     83      -0.1413      2.00000
     84       0.6840      2.00524
     85       1.0945      1.41664
     86       1.7157     -0.00042
     87       2.2456     -0.00000
     88       2.5722     -0.00000
     89       2.9771     -0.00000
     90       3.1607     -0.00000
     91       3.6075     -0.00000
     92       4.4277     -0.00000
     93       5.2740     -0.00000
     94       5.4383     -0.00000
     95       5.6473     -0.00000
     96       6.2759     -0.00000
     97       6.5482      0.00000
     98       6.8249      0.00000
     99       7.0009      0.00000
    100       7.0960      0.00000
    101       7.3492      0.00000
    102       7.6254      0.00000

 k-point    10 :      -0.4000    0.2000    0.0000
  band No.  band energies     occupation 
      1     -28.6606      2.00000
      2     -21.3491      2.00000
      3     -21.3252      2.00000
      4     -21.2286      2.00000
      5     -21.2191      2.00000
      6     -21.0977      2.00000
      7     -20.9246      2.00000
      8     -20.8521      2.00000
      9     -20.8166      2.00000
     10     -20.7948      2.00000
     11     -20.7466      2.00000
     12     -20.7112      2.00000
     13     -20.6461      2.00000
     14     -20.6011      2.00000
     15     -20.5735      2.00000
     16     -20.5690      2.00000
     17     -20.5492      2.00000
     18     -20.5319      2.00000
     19     -20.4842      2.00000
     20     -20.4799      2.00000
     21     -20.4508      2.00000
     22     -20.4146      2.00000
     23     -20.3872      2.00000
     24     -20.3862      2.00000
     25     -20.3635      2.00000
     26     -20.2885      2.00000
     27     -20.2833      2.00000
     28     -20.2560      2.00000
     29     -20.2180      2.00000
     30     -20.2087      2.00000
     31     -20.1811      2.00000
     32     -18.2480      2.00000
     33     -18.2230      2.00000
     34     -17.6989      2.00000
     35     -17.4562      2.00000
     36     -16.9019      2.00000
     37     -16.6131      2.00000
     38     -16.2803      2.00000
     39     -15.9671      2.00000
     40     -15.8842      2.00000
     41     -15.5516      2.00000
     42     -15.5288      2.00000
     43     -15.4266      2.00000
     44     -13.6857      2.00000
     45      -9.4521      2.00000
     46      -8.0218      2.00000
     47      -7.6816      2.00000
     48      -7.2887      2.00000
     49      -6.7208      2.00000
     50      -6.5062      2.00000
     51      -6.4369      2.00000
     52      -6.3237      2.00000
     53      -5.4703      2.00000
     54      -5.0009      2.00000
     55      -4.6107      2.00000
     56      -4.3066      2.00000
     57      -4.2134      2.00000
     58      -3.8460      2.00000
     59      -3.7216      2.00000
     60      -3.5348      2.00000
     61      -3.2537      2.00000
     62      -3.1760      2.00000
     63      -2.9743      2.00000
     64      -2.8145      2.00000
     65      -2.5769      2.00000
     66      -2.4083      2.00000
     67      -2.1783      2.00000
     68      -2.1616      2.00000
     69      -1.9982      2.00000
     70      -1.4906      2.00000
     71      -1.4366      2.00000
     72      -1.2433      2.00000
     73      -1.0468      2.00000
     74      -1.0078      2.00000
     75      -0.9823      2.00000
     76      -0.9447      2.00000
     77      -0.7504      2.00000
     78      -0.6896      2.00000
     79      -0.5948      2.00000
     80      -0.4780      2.00000
     81      -0.3087      2.00000
     82      -0.2807      2.00000
     83      -0.1436      2.00000
     84       0.7041      2.00774
     85       1.0818      1.50989
     86       1.7155     -0.00042
     87       2.2527     -0.00000
     88       2.5668     -0.00000
     89       2.9694     -0.00000
     90       3.1894     -0.00000
     91       3.6169     -0.00000
     92       4.4178     -0.00000
     93       5.0915     -0.00000
     94       5.5083     -0.00000
     95       5.6427     -0.00000
     96       6.4196     -0.00000
     97       6.5432      0.00000
     98       6.8259      0.00000
     99       7.0199      0.00000
    100       7.1247      0.00000
    101       7.3723      0.00000
    102       7.6772      0.00000

 k-point    11 :       0.2000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -28.6607      2.00000
      2     -21.3995      2.00000
      3     -21.2853      2.00000
      4     -21.2402      2.00000
      5     -21.1991      2.00000
      6     -21.0518      2.00000
      7     -20.9737      2.00000
      8     -20.8554      2.00000
      9     -20.8040      2.00000
     10     -20.7759      2.00000
     11     -20.7233      2.00000
     12     -20.6813      2.00000
     13     -20.6429      2.00000
     14     -20.6196      2.00000
     15     -20.6022      2.00000
     16     -20.5731      2.00000
     17     -20.5710      2.00000
     18     -20.5474      2.00000
     19     -20.5327      2.00000
     20     -20.4819      2.00000
     21     -20.4479      2.00000
     22     -20.3905      2.00000
     23     -20.3848      2.00000
     24     -20.3661      2.00000
     25     -20.3581      2.00000
     26     -20.2894      2.00000
     27     -20.2893      2.00000
     28     -20.2503      2.00000
     29     -20.2205      2.00000
     30     -20.2073      2.00000
     31     -20.1793      2.00000
     32     -18.3571      2.00000
     33     -18.1016      2.00000
     34     -17.6981      2.00000
     35     -17.4284      2.00000
     36     -16.8017      2.00000
     37     -16.7628      2.00000
     38     -16.1868      2.00000
     39     -16.0930      2.00000
     40     -15.8705      2.00000
     41     -15.6292      2.00000
     42     -15.5075      2.00000
     43     -15.3386      2.00000
     44     -13.6840      2.00000
     45      -9.4505      2.00000
     46      -7.9652      2.00000
     47      -7.7121      2.00000
     48      -7.1872      2.00000
     49      -6.8257      2.00000
     50      -6.5953      2.00000
     51      -6.5143      2.00000
     52      -6.2900      2.00000
     53      -5.3773      2.00000
     54      -4.9959      2.00000
     55      -4.7188      2.00000
     56      -4.2651      2.00000
     57      -4.2033      2.00000
     58      -3.7521      2.00000
     59      -3.5936      2.00000
     60      -3.5317      2.00000
     61      -3.3789      2.00000
     62      -3.1095      2.00000
     63      -3.0420      2.00000
     64      -2.7094      2.00000
     65      -2.6665      2.00000
     66      -2.3457      2.00000
     67      -2.2911      2.00000
     68      -2.0982      2.00000
     69      -1.9242      2.00000
     70      -1.5288      2.00000
     71      -1.4984      2.00000
     72      -1.1981      2.00000
     73      -1.1469      2.00000
     74      -1.0721      2.00000
     75      -0.8879      2.00000
     76      -0.8764      2.00000
     77      -0.8034      2.00000
     78      -0.7702      2.00000
     79      -0.6002      2.00000
     80      -0.4254      2.00000
     81      -0.3497      2.00000
     82      -0.2673      2.00000
     83      -0.1061      2.00000
     84       0.7164      2.00971
     85       1.0547      1.68745
     86       1.7698     -0.00009
     87       1.9965     -0.00000
     88       2.6843     -0.00000
     89       2.7921     -0.00000
     90       3.3899     -0.00000
     91       3.8743     -0.00000
     92       4.1525     -0.00000
     93       5.2599     -0.00000
     94       5.4178     -0.00000
     95       5.7100     -0.00000
     96       6.2887     -0.00000
     97       6.5431      0.00000
     98       6.7927      0.00000
     99       7.0265      0.00000
    100       7.1749      0.00000
    101       7.4533      0.00000
    102       7.5308      0.00000

 k-point    12 :       0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -28.6596      2.00000
      2     -21.3336      2.00000
      3     -21.2572      2.00000
      4     -21.2384      2.00000
      5     -21.1480      2.00000
      6     -21.0335      2.00000
      7     -21.0001      2.00000
      8     -20.8822      2.00000
      9     -20.8291      2.00000
     10     -20.7996      2.00000
     11     -20.7808      2.00000
     12     -20.7507      2.00000
     13     -20.6508      2.00000
     14     -20.6447      2.00000
     15     -20.6208      2.00000
     16     -20.5833      2.00000
     17     -20.5716      2.00000
     18     -20.5666      2.00000
     19     -20.5324      2.00000
     20     -20.4808      2.00000
     21     -20.4455      2.00000
     22     -20.4206      2.00000
     23     -20.3919      2.00000
     24     -20.3820      2.00000
     25     -20.3646      2.00000
     26     -20.2890      2.00000
     27     -20.2828      2.00000
     28     -20.2555      2.00000
     29     -20.2164      2.00000
     30     -20.2078      2.00000
     31     -20.1798      2.00000
     32     -18.0130      2.00000
     33     -17.7456      2.00000
     34     -17.6006      2.00000
     35     -17.2801      2.00000
     36     -16.9463      2.00000
     37     -16.8542      2.00000
     38     -16.2096      2.00000
     39     -16.0838      2.00000
     40     -15.9301      2.00000
     41     -15.8866      2.00000
     42     -15.6449      2.00000
     43     -15.4885      2.00000
     44     -13.7167      2.00000
     45      -9.5095      2.00000
     46      -7.9945      2.00000
     47      -7.7114      2.00000
     48      -7.2075      2.00000
     49      -7.1695      2.00000
     50      -6.8992      2.00000
     51      -6.6511      2.00000
     52      -5.8314      2.00000
     53      -5.3032      2.00000
     54      -5.0318      2.00000
     55      -4.4632      2.00000
     56      -4.2907      2.00000
     57      -4.1770      2.00000
     58      -3.6977      2.00000
     59      -3.6114      2.00000
     60      -3.3467      2.00000
     61      -3.3016      2.00000
     62      -3.1694      2.00000
     63      -3.0051      2.00000
     64      -2.5899      2.00000
     65      -2.5583      2.00000
     66      -2.3460      2.00000
     67      -2.3158      2.00000
     68      -2.2488      2.00000
     69      -1.9595      2.00000
     70      -1.4082      2.00000
     71      -1.3518      2.00000
     72      -1.1990      2.00000
     73      -1.0745      2.00000
     74      -1.0362      2.00000
     75      -1.0144      2.00000
     76      -0.9452      2.00000
     77      -0.7688      2.00000
     78      -0.5846      2.00000
     79      -0.5081      2.00000
     80      -0.4926      2.00000
     81      -0.2020      2.00000
     82      -0.1660      2.00000
     83       0.0676      2.00000
     84       0.6887      2.00575
     85       1.0584      1.66526
     86       1.7478     -0.00018
     87       1.8447     -0.00001
     88       2.3012     -0.00000
     89       2.5461     -0.00000
     90       3.1602     -0.00000
     91       3.8406     -0.00000
     92       3.9606     -0.00000
     93       5.2651     -0.00000
     94       5.5976     -0.00000
     95       5.9448     -0.00000
     96       6.4750      0.00000
     97       6.7714      0.00000
     98       7.0969      0.00000
     99       7.2179      0.00000
    100       7.3118      0.00000
    101       7.5552      0.00000
    102       7.8664      0.00000

 k-point    13 :      -0.4000    0.4000    0.0000
  band No.  band energies     occupation 
      1     -28.6598      2.00000
      2     -21.2942      2.00000
      3     -21.2671      2.00000
      4     -21.2119      2.00000
      5     -21.2076      2.00000
      6     -21.0851      2.00000
      7     -20.9348      2.00000
      8     -20.9286      2.00000
      9     -20.8410      2.00000
     10     -20.7894      2.00000
     11     -20.7597      2.00000
     12     -20.7588      2.00000
     13     -20.6453      2.00000
     14     -20.6303      2.00000
     15     -20.6032      2.00000
     16     -20.5721      2.00000
     17     -20.5687      2.00000
     18     -20.5505      2.00000
     19     -20.5332      2.00000
     20     -20.4804      2.00000
     21     -20.4608      2.00000
     22     -20.4476      2.00000
     23     -20.3896      2.00000
     24     -20.3830      2.00000
     25     -20.3633      2.00000
     26     -20.2886      2.00000
     27     -20.2768      2.00000
     28     -20.2616      2.00000
     29     -20.2139      2.00000
     30     -20.2095      2.00000
     31     -20.1807      2.00000
     32     -17.9817      2.00000
     33     -17.8252      2.00000
     34     -17.4875      2.00000
     35     -17.3914      2.00000
     36     -17.0069      2.00000
     37     -16.7407      2.00000
     38     -16.2870      2.00000
     39     -16.0216      2.00000
     40     -15.9591      2.00000
     41     -15.7132      2.00000
     42     -15.6849      2.00000
     43     -15.5852      2.00000
     44     -13.7181      2.00000
     45      -9.5100      2.00000
     46      -8.0212      2.00000
     47      -7.7012      2.00000
     48      -7.3051      2.00000
     49      -7.0757      2.00000
     50      -6.8720      2.00000
     51      -6.6542      2.00000
     52      -5.7676      2.00000
     53      -5.3356      2.00000
     54      -4.9898      2.00000
     55      -4.5392      2.00000
     56      -4.2751      2.00000
     57      -4.2019      2.00000
     58      -3.7531      2.00000
     59      -3.5553      2.00000
     60      -3.3738      2.00000
     61      -3.2897      2.00000
     62      -3.1548      2.00000
     63      -3.0201      2.00000
     64      -2.7703      2.00000
     65      -2.4477      2.00000
     66      -2.3791      2.00000
     67      -2.2471      2.00000
     68      -2.1784      2.00000
     69      -2.0169      2.00000
     70      -1.3966      2.00000
     71      -1.2950      2.00000
     72      -1.2063      2.00000
     73      -1.1249      2.00000
     74      -1.0945      2.00000
     75      -0.9387      2.00000
     76      -0.9242      2.00000
     77      -0.7289      2.00000
     78      -0.6134      2.00000
     79      -0.5309      2.00000
     80      -0.4985      2.00000
     81      -0.1914      2.00000
     82      -0.1359      2.00000
     83       0.0356      2.00000
     84       0.6692      2.00387
     85       1.0867      1.47487
     86       1.7944     -0.00004
     87       1.9755     -0.00000
     88       2.0904     -0.00000
     89       2.7420     -0.00000
     90       3.0085     -0.00000
     91       3.6540     -0.00000
     92       4.1354     -0.00000
     93       5.3710     -0.00000
     94       5.5649     -0.00000
     95       5.8835     -0.00000
     96       6.5197      0.00000
     97       6.7001      0.00000
     98       7.0553      0.00000
     99       7.1653      0.00000
    100       7.3569      0.00000
    101       7.5101      0.00000
    102       7.8883      0.00000

 k-point    14 :       0.0000    0.0000    0.3333
  band No.  band energies     occupation 
      1     -28.6612      2.00000
      2     -21.3813      2.00000
      3     -21.3295      2.00000
      4     -21.2045      2.00000
      5     -21.1414      2.00000
      6     -21.0473      2.00000
      7     -20.9507      2.00000
      8     -20.8604      2.00000
      9     -20.8144      2.00000
     10     -20.7620      2.00000
     11     -20.7154      2.00000
     12     -20.6497      2.00000
     13     -20.6463      2.00000
     14     -20.6195      2.00000
     15     -20.5905      2.00000
     16     -20.5823      2.00000
     17     -20.5766      2.00000
     18     -20.5689      2.00000
     19     -20.5331      2.00000
     20     -20.4850      2.00000
     21     -20.4641      2.00000
     22     -20.4444      2.00000
     23     -20.4017      2.00000
     24     -20.3930      2.00000
     25     -20.3556      2.00000
     26     -20.2879      2.00000
     27     -20.2752      2.00000
     28     -20.2626      2.00000
     29     -20.2387      2.00000
     30     -20.1985      2.00000
     31     -20.1771      2.00000
     32     -18.5732      2.00000
     33     -18.4437      2.00000
     34     -17.4862      2.00000
     35     -17.1273      2.00000
     36     -16.9209      2.00000
     37     -16.8566      2.00000
     38     -16.1715      2.00000
     39     -15.9191      2.00000
     40     -15.9136      2.00000
     41     -15.6307      2.00000
     42     -15.4117      2.00000
     43     -15.2029      2.00000
     44     -13.6920      2.00000
     45      -9.5383      2.00000
     46      -8.0725      2.00000
     47      -7.8702      2.00000
     48      -7.7939      2.00000
     49      -7.6175      2.00000
     50      -6.3485      2.00000
     51      -6.1684      2.00000
     52      -5.2217      2.00000
     53      -4.7611      2.00000
     54      -3.9728      2.00000
     55      -3.9251      2.00000
     56      -3.8657      2.00000
     57      -3.8130      2.00000
     58      -3.5288      2.00000
     59      -3.5115      2.00000
     60      -3.4594      2.00000
     61      -3.3662      2.00000
     62      -3.0124      2.00000
     63      -2.8847      2.00000
     64      -2.8174      2.00000
     65      -2.7797      2.00000
     66      -2.5734      2.00000
     67      -2.4360      2.00000
     68      -2.2057      2.00000
     69      -2.0895      2.00000
     70      -1.7383      2.00000
     71      -1.6365      2.00000
     72      -1.6045      2.00000
     73      -1.5914      2.00000
     74      -1.0294      2.00000
     75      -0.8737      2.00000
     76      -0.8473      2.00000
     77      -0.8397      2.00000
     78      -0.6419      2.00000
     79      -0.5066      2.00000
     80      -0.4887      2.00000
     81      -0.4155      2.00000
     82      -0.2766      2.00000
     83      -0.1007      2.00000
     84       0.3627      2.00000
     85       0.4677      2.00002
     86       0.8114      2.03968
     87       1.0916      1.43839
     88       1.7857     -0.00006
     89       2.1850     -0.00000
     90       2.9037     -0.00000
     91       4.2432     -0.00000
     92       4.5058     -0.00000
     93       4.6308     -0.00000
     94       4.7630     -0.00000
     95       5.4613     -0.00000
     96       6.0081     -0.00000
     97       6.2111     -0.00000
     98       6.4021     -0.00000
     99       6.5822      0.00000
    100       6.8834      0.00000
    101       7.0210      0.00000
    102       7.9542      0.00000

 k-point    15 :       0.2000    0.0000    0.3333
  band No.  band energies     occupation 
      1     -28.6611      2.00000
      2     -21.3888      2.00000
      3     -21.3299      2.00000
      4     -21.2213      2.00000
      5     -21.1746      2.00000
      6     -21.0645      2.00000
      7     -20.9493      2.00000
      8     -20.8559      2.00000
      9     -20.8095      2.00000
     10     -20.7684      2.00000
     11     -20.6906      2.00000
     12     -20.6745      2.00000
     13     -20.6462      2.00000
     14     -20.6064      2.00000
     15     -20.5757      2.00000
     16     -20.5693      2.00000
     17     -20.5596      2.00000
     18     -20.5457      2.00000
     19     -20.5324      2.00000
     20     -20.4834      2.00000
     21     -20.4472      2.00000
     22     -20.4198      2.00000
     23     -20.3974      2.00000
     24     -20.3903      2.00000
     25     -20.3586      2.00000
     26     -20.2883      2.00000
     27     -20.2825      2.00000
     28     -20.2560      2.00000
     29     -20.2335      2.00000
     30     -20.2009      2.00000
     31     -20.1782      2.00000
     32     -18.5475      2.00000
     33     -18.4211      2.00000
     34     -17.5841      2.00000
     35     -17.2736      2.00000
     36     -16.8721      2.00000
     37     -16.7536      2.00000
     38     -16.2363      2.00000
     39     -15.9966      2.00000
     40     -15.8586      2.00000
     41     -15.5505      2.00000
     42     -15.4197      2.00000
     43     -15.2170      2.00000
     44     -13.6803      2.00000
     45      -9.4877      2.00000
     46      -7.9916      2.00000
     47      -7.7605      2.00000
     48      -7.6393      2.00000
     49      -7.5382      2.00000
     50      -6.3404      2.00000
     51      -6.1651      2.00000
     52      -5.3763      2.00000
     53      -5.0667      2.00000
     54      -4.5477      2.00000
     55      -4.3315      2.00000
     56      -4.1669      2.00000
     57      -4.1096      2.00000
     58      -3.6649      2.00000
     59      -3.5584      2.00000
     60      -3.4124      2.00000
     61      -3.2286      2.00000
     62      -3.0823      2.00000
     63      -2.8959      2.00000
     64      -2.8058      2.00000
     65      -2.6967      2.00000
     66      -2.4890      2.00000
     67      -2.2723      2.00000
     68      -2.1635      2.00000
     69      -1.9394      2.00000
     70      -1.7322      2.00000
     71      -1.7217      2.00000
     72      -1.4067      2.00000
     73      -1.3672      2.00000
     74      -1.0945      2.00000
     75      -0.9242      2.00000
     76      -0.9090      2.00000
     77      -0.7496      2.00000
     78      -0.6201      2.00000
     79      -0.5369      2.00000
     80      -0.5291      2.00000
     81      -0.4922      2.00000
     82      -0.3236      2.00000
     83      -0.2012      2.00000
     84       0.6551      2.00286
     85       1.0014      1.93375
     86       1.1360      1.08043
     87       1.3269     -0.02517
     88       1.9835     -0.00000
     89       2.4553     -0.00000
     90       3.0887     -0.00000
     91       4.2031     -0.00000
     92       4.5413     -0.00000
     93       4.7485     -0.00000
     94       4.9679     -0.00000
     95       5.4544     -0.00000
     96       6.1810     -0.00000
     97       6.3573     -0.00000
     98       6.4766      0.00000
     99       6.7126      0.00000
    100       7.0175      0.00000
    101       7.1411      0.00000
    102       7.8481      0.00000

 k-point    16 :       0.0000    0.2000    0.3333
  band No.  band energies     occupation 
      1     -28.6611      2.00000
      2     -21.3882      2.00000
      3     -21.3283      2.00000
      4     -21.2212      2.00000
      5     -21.1786      2.00000
      6     -21.0650      2.00000
      7     -20.9471      2.00000
      8     -20.8561      2.00000
      9     -20.8097      2.00000
     10     -20.7682      2.00000
     11     -20.6901      2.00000
     12     -20.6735      2.00000
     13     -20.6465      2.00000
     14     -20.6054      2.00000
     15     -20.5756      2.00000
     16     -20.5709      2.00000
     17     -20.5596      2.00000
     18     -20.5455      2.00000
     19     -20.5327      2.00000
     20     -20.4833      2.00000
     21     -20.4472      2.00000
     22     -20.4203      2.00000
     23     -20.3976      2.00000
     24     -20.3902      2.00000
     25     -20.3585      2.00000
     26     -20.2884      2.00000
     27     -20.2824      2.00000
     28     -20.2561      2.00000
     29     -20.2334      2.00000
     30     -20.2008      2.00000
     31     -20.1782      2.00000
     32     -18.5528      2.00000
     33     -18.4225      2.00000
     34     -17.5710      2.00000
     35     -17.2759      2.00000
     36     -16.8819      2.00000
     37     -16.7478      2.00000
     38     -16.2384      2.00000
     39     -15.9965      2.00000
     40     -15.8556      2.00000
     41     -15.5496      2.00000
     42     -15.4179      2.00000
     43     -15.2195      2.00000
     44     -13.6809      2.00000
     45      -9.4874      2.00000
     46      -7.9885      2.00000
     47      -7.7564      2.00000
     48      -7.6497      2.00000
     49      -7.5335      2.00000
     50      -6.3470      2.00000
     51      -6.1710      2.00000
     52      -5.3694      2.00000
     53      -5.0454      2.00000
     54      -4.5393      2.00000
     55      -4.3551      2.00000
     56      -4.1866      2.00000
     57      -4.1230      2.00000
     58      -3.6638      2.00000
     59      -3.5164      2.00000
     60      -3.4123      2.00000
     61      -3.2492      2.00000
     62      -3.1059      2.00000
     63      -2.9393      2.00000
     64      -2.7656      2.00000
     65      -2.6527      2.00000
     66      -2.4979      2.00000
     67      -2.2614      2.00000
     68      -2.1376      2.00000
     69      -1.9359      2.00000
     70      -1.7500      2.00000
     71      -1.7393      2.00000
     72      -1.4354      2.00000
     73      -1.3468      2.00000
     74      -1.0915      2.00000
     75      -0.9244      2.00000
     76      -0.8761      2.00000
     77      -0.7805      2.00000
     78      -0.6209      2.00000
     79      -0.5495      2.00000
     80      -0.5114      2.00000
     81      -0.4952      2.00000
     82      -0.3255      2.00000
     83      -0.1953      2.00000
     84       0.6376      2.00194
     85       1.0018      1.93243
     86       1.1439      1.01413
     87       1.3141     -0.00039
     88       1.9838     -0.00000
     89       2.4628     -0.00000
     90       3.0774     -0.00000
     91       4.2099     -0.00000
     92       4.5239     -0.00000
     93       4.7820     -0.00000
     94       4.9551     -0.00000
     95       5.5093     -0.00000
     96       6.1810     -0.00000
     97       6.2675     -0.00000
     98       6.4519     -0.00000
     99       6.7405      0.00000
    100       7.0108      0.00000
    101       7.1513      0.00000
    102       7.8150      0.00000

 k-point    17 :      -0.2000    0.0000    0.3333
  band No.  band energies     occupation 
      1     -28.6612      2.00000
      2     -21.3888      2.00000
      3     -21.3299      2.00000
      4     -21.2213      2.00000
      5     -21.1746      2.00000
      6     -21.0645      2.00000
      7     -20.9493      2.00000
      8     -20.8559      2.00000
      9     -20.8095      2.00000
     10     -20.7684      2.00000
     11     -20.6906      2.00000
     12     -20.6745      2.00000
     13     -20.6462      2.00000
     14     -20.6064      2.00000
     15     -20.5757      2.00000
     16     -20.5693      2.00000
     17     -20.5596      2.00000
     18     -20.5457      2.00000
     19     -20.5324      2.00000
     20     -20.4834      2.00000
     21     -20.4472      2.00000
     22     -20.4198      2.00000
     23     -20.3974      2.00000
     24     -20.3903      2.00000
     25     -20.3586      2.00000
     26     -20.2883      2.00000
     27     -20.2825      2.00000
     28     -20.2560      2.00000
     29     -20.2335      2.00000
     30     -20.2009      2.00000
     31     -20.1782      2.00000
     32     -18.5475      2.00000
     33     -18.4211      2.00000
     34     -17.5841      2.00000
     35     -17.2736      2.00000
     36     -16.8720      2.00000
     37     -16.7536      2.00000
     38     -16.2363      2.00000
     39     -15.9966      2.00000
     40     -15.8586      2.00000
     41     -15.5504      2.00000
     42     -15.4197      2.00000
     43     -15.2170      2.00000
     44     -13.6802      2.00000
     45      -9.4878      2.00000
     46      -7.9916      2.00000
     47      -7.7605      2.00000
     48      -7.6393      2.00000
     49      -7.5383      2.00000
     50      -6.3403      2.00000
     51      -6.1651      2.00000
     52      -5.3765      2.00000
     53      -5.0667      2.00000
     54      -4.5477      2.00000
     55      -4.3315      2.00000
     56      -4.1669      2.00000
     57      -4.1096      2.00000
     58      -3.6649      2.00000
     59      -3.5583      2.00000
     60      -3.4123      2.00000
     61      -3.2287      2.00000
     62      -3.0823      2.00000
     63      -2.8960      2.00000
     64      -2.8058      2.00000
     65      -2.6967      2.00000
     66      -2.4890      2.00000
     67      -2.2722      2.00000
     68      -2.1635      2.00000
     69      -1.9395      2.00000
     70      -1.7322      2.00000
     71      -1.7218      2.00000
     72      -1.4068      2.00000
     73      -1.3672      2.00000
     74      -1.0945      2.00000
     75      -0.9243      2.00000
     76      -0.9090      2.00000
     77      -0.7496      2.00000
     78      -0.6201      2.00000
     79      -0.5369      2.00000
     80      -0.5291      2.00000
     81      -0.4922      2.00000
     82      -0.3236      2.00000
     83      -0.2012      2.00000
     84       0.6551      2.00286
     85       1.0014      1.93382
     86       1.1365      1.07610
     87       1.3264     -0.02435
     88       1.9834     -0.00000
     89       2.4557     -0.00000
     90       3.0884     -0.00000
     91       4.2030     -0.00000
     92       4.5411     -0.00000
     93       4.7482     -0.00000
     94       4.9682     -0.00000
     95       5.4544     -0.00000
     96       6.1933     -0.00000
     97       6.3553     -0.00000
     98       6.4534     -0.00000
     99       6.7222      0.00000
    100       7.0269      0.00000
    101       7.1402      0.00000
    102       7.8289      0.00000

 k-point    18 :       0.0000   -0.2000    0.3333
  band No.  band energies     occupation 
      1     -28.6610      2.00000
      2     -21.3882      2.00000
      3     -21.3283      2.00000
      4     -21.2212      2.00000
      5     -21.1786      2.00000
      6     -21.0650      2.00000
      7     -20.9471      2.00000
      8     -20.8561      2.00000
      9     -20.8097      2.00000
     10     -20.7682      2.00000
     11     -20.6901      2.00000
     12     -20.6735      2.00000
     13     -20.6465      2.00000
     14     -20.6054      2.00000
     15     -20.5756      2.00000
     16     -20.5709      2.00000
     17     -20.5596      2.00000
     18     -20.5455      2.00000
     19     -20.5327      2.00000
     20     -20.4833      2.00000
     21     -20.4472      2.00000
     22     -20.4203      2.00000
     23     -20.3976      2.00000
     24     -20.3902      2.00000
     25     -20.3585      2.00000
     26     -20.2884      2.00000
     27     -20.2824      2.00000
     28     -20.2561      2.00000
     29     -20.2334      2.00000
     30     -20.2008      2.00000
     31     -20.1782      2.00000
     32     -18.5528      2.00000
     33     -18.4225      2.00000
     34     -17.5710      2.00000
     35     -17.2759      2.00000
     36     -16.8819      2.00000
     37     -16.7478      2.00000
     38     -16.2384      2.00000
     39     -15.9966      2.00000
     40     -15.8556      2.00000
     41     -15.5496      2.00000
     42     -15.4179      2.00000
     43     -15.2196      2.00000
     44     -13.6809      2.00000
     45      -9.4875      2.00000
     46      -7.9884      2.00000
     47      -7.7565      2.00000
     48      -7.6497      2.00000
     49      -7.5335      2.00000
     50      -6.3469      2.00000
     51      -6.1710      2.00000
     52      -5.3693      2.00000
     53      -5.0454      2.00000
     54      -4.5394      2.00000
     55      -4.3550      2.00000
     56      -4.1867      2.00000
     57      -4.1231      2.00000
     58      -3.6638      2.00000
     59      -3.5164      2.00000
     60      -3.4122      2.00000
     61      -3.2492      2.00000
     62      -3.1059      2.00000
     63      -2.9393      2.00000
     64      -2.7656      2.00000
     65      -2.6527      2.00000
     66      -2.4979      2.00000
     67      -2.2614      2.00000
     68      -2.1376      2.00000
     69      -1.9359      2.00000
     70      -1.7500      2.00000
     71      -1.7392      2.00000
     72      -1.4354      2.00000
     73      -1.3468      2.00000
     74      -1.0915      2.00000
     75      -0.9245      2.00000
     76      -0.8762      2.00000
     77      -0.7805      2.00000
     78      -0.6209      2.00000
     79      -0.5496      2.00000
     80      -0.5113      2.00000
     81      -0.4951      2.00000
     82      -0.3256      2.00000
     83      -0.1953      2.00000
     84       0.6373      2.00192
     85       1.0018      1.93230
     86       1.1445      1.00903
     87       1.3137      0.00038
     88       1.9839     -0.00000
     89       2.4625     -0.00000
     90       3.0773     -0.00000
     91       4.2099     -0.00000
     92       4.5237     -0.00000
     93       4.7825     -0.00000
     94       4.9549     -0.00000
     95       5.5093     -0.00000
     96       6.1651     -0.00000
     97       6.2787     -0.00000
     98       6.4691      0.00000
     99       6.7248      0.00000
    100       7.0248      0.00000
    101       7.1347      0.00000
    102       7.8046      0.00000

 k-point    19 :       0.4000    0.0000    0.3333
  band No.  band energies     occupation 
      1     -28.6606      2.00000
      2     -21.4070      2.00000
      3     -21.3351      2.00000
      4     -21.2345      2.00000
      5     -21.2115      2.00000
      6     -21.0879      2.00000
      7     -20.9507      2.00000
      8     -20.8506      2.00000
      9     -20.8013      2.00000
     10     -20.7728      2.00000
     11     -20.7014      2.00000
     12     -20.6587      2.00000
     13     -20.6465      2.00000
     14     -20.6025      2.00000
     15     -20.5743      2.00000
     16     -20.5693      2.00000
     17     -20.5343      2.00000
     18     -20.5205      2.00000
     19     -20.4839      2.00000
     20     -20.4820      2.00000
     21     -20.4510      2.00000
     22     -20.3887      2.00000
     23     -20.3864      2.00000
     24     -20.3656      2.00000
     25     -20.3552      2.00000
     26     -20.2897      2.00000
     27     -20.2889      2.00000
     28     -20.2506      2.00000
     29     -20.2215      2.00000
     30     -20.2079      2.00000
     31     -20.1803      2.00000
     32     -18.4438      2.00000
     33     -18.3333      2.00000
     34     -17.8082      2.00000
     35     -17.5256      2.00000
     36     -16.8571      2.00000
     37     -16.6762      2.00000
     38     -16.1836      2.00000
     39     -15.9742      2.00000
     40     -15.7948      2.00000
     41     -15.4885      2.00000
     42     -15.4638      2.00000
     43     -15.2940      2.00000
     44     -13.6640      2.00000
     45      -9.4171      2.00000
     46      -7.9876      2.00000
     47      -7.6757      2.00000
     48      -7.0688      2.00000
     49      -6.9440      2.00000
     50      -6.3399      2.00000
     51      -6.1780      2.00000
     52      -6.0353      2.00000
     53      -5.9389      2.00000
     54      -4.9195      2.00000
     55      -4.7667      2.00000
     56      -4.5558      2.00000
     57      -4.4090      2.00000
     58      -3.8958      2.00000
     59      -3.7012      2.00000
     60      -3.4822      2.00000
     61      -3.2944      2.00000
     62      -3.2255      2.00000
     63      -2.9949      2.00000
     64      -2.6428      2.00000
     65      -2.5505      2.00000
     66      -2.2813      2.00000
     67      -2.1535      2.00000
     68      -2.1279      2.00000
     69      -1.9491      2.00000
     70      -1.6367      2.00000
     71      -1.6270      2.00000
     72      -1.2339      2.00000
     73      -1.1255      2.00000
     74      -1.0908      2.00000
     75      -0.9124      2.00000
     76      -0.8494      2.00000
     77      -0.6765      2.00000
     78      -0.6666      2.00000
     79      -0.6051      2.00000
     80      -0.5641      2.00000
     81      -0.4863      2.00000
     82      -0.3350      2.00000
     83      -0.2808      2.00000
     84       0.7437      2.01551
     85       1.0538      1.69307
     86       1.7048     -0.00056
     87       2.3400     -0.00000
     88       2.6229     -0.00000
     89       3.0059     -0.00000
     90       3.4586     -0.00000
     91       3.9431     -0.00000
     92       4.3022     -0.00000
     93       5.0609     -0.00000
     94       5.3748     -0.00000
     95       5.5199     -0.00000
     96       6.4079     -0.00000
     97       6.4584     -0.00000
     98       6.7482      0.00000
     99       6.9502      0.00000
    100       7.0794      0.00000
    101       7.4012      0.00000
    102       7.5555      0.00000

 k-point    20 :       0.0000    0.4000    0.3333
  band No.  band energies     occupation 
      1     -28.6612      2.00000
      2     -21.4057      2.00000
      3     -21.3304      2.00000
      4     -21.2345      2.00000
      5     -21.2201      2.00000
      6     -21.0886      2.00000
      7     -20.9489      2.00000
      8     -20.8507      2.00000
      9     -20.8017      2.00000
     10     -20.7732      2.00000
     11     -20.6978      2.00000
     12     -20.6593      2.00000
     13     -20.6468      2.00000
     14     -20.5973      2.00000
     15     -20.5740      2.00000
     16     -20.5713      2.00000
     17     -20.5349      2.00000
     18     -20.5195      2.00000
     19     -20.4840      2.00000
     20     -20.4828      2.00000
     21     -20.4513      2.00000
     22     -20.3895      2.00000
     23     -20.3856      2.00000
     24     -20.3657      2.00000
     25     -20.3571      2.00000
     26     -20.2895      2.00000
     27     -20.2891      2.00000
     28     -20.2508      2.00000
     29     -20.2214      2.00000
     30     -20.2078      2.00000
     31     -20.1802      2.00000
     32     -18.4651      2.00000
     33     -18.3393      2.00000
     34     -17.7716      2.00000
     35     -17.5225      2.00000
     36     -16.8760      2.00000
     37     -16.6716      2.00000
     38     -16.1937      2.00000
     39     -15.9658      2.00000
     40     -15.7818      2.00000
     41     -15.4868      2.00000
     42     -15.4683      2.00000
     43     -15.2973      2.00000
     44     -13.6652      2.00000
     45      -9.4158      2.00000
     46      -7.9719      2.00000
     47      -7.6950      2.00000
     48      -7.0632      2.00000
     49      -6.9418      2.00000
     50      -6.3726      2.00000
     51      -6.1904      2.00000
     52      -6.0203      2.00000
     53      -5.9273      2.00000
     54      -4.8850      2.00000
     55      -4.7667      2.00000
     56      -4.5856      2.00000
     57      -4.4103      2.00000
     58      -3.9082      2.00000
     59      -3.6548      2.00000
     60      -3.4711      2.00000
     61      -3.3313      2.00000
     62      -3.2776      2.00000
     63      -3.0801      2.00000
     64      -2.5682      2.00000
     65      -2.4478      2.00000
     66      -2.2735      2.00000
     67      -2.1814      2.00000
     68      -2.0925      2.00000
     69      -1.8869      2.00000
     70      -1.6827      2.00000
     71      -1.6617      2.00000
     72      -1.2700      2.00000
     73      -1.1419      2.00000
     74      -1.0811      2.00000
     75      -0.9188      2.00000
     76      -0.8072      2.00000
     77      -0.6895      2.00000
     78      -0.6622      2.00000
     79      -0.6066      2.00000
     80      -0.5787      2.00000
     81      -0.4870      2.00000
     82      -0.3407      2.00000
     83      -0.2867      2.00000
     84       0.7180      2.01000
     85       1.0697      1.59352
     86       1.7062     -0.00054
     87       2.3495     -0.00000
     88       2.6026     -0.00000
     89       3.0305     -0.00000
     90       3.3879     -0.00000
     91       3.9591     -0.00000
     92       4.2977     -0.00000
     93       5.2073     -0.00000
     94       5.3449     -0.00000
     95       5.6048     -0.00000
     96       6.1968     -0.00000
     97       6.4187     -0.00000
     98       6.7171      0.00000
     99       6.9513      0.00000
    100       7.1286      0.00000
    101       7.3974      0.00000
    102       7.4871      0.00000

 k-point    21 :      -0.4000    0.0000    0.3333
  band No.  band energies     occupation 
      1     -28.6606      2.00000
      2     -21.4070      2.00000
      3     -21.3351      2.00000
      4     -21.2345      2.00000
      5     -21.2115      2.00000
      6     -21.0879      2.00000
      7     -20.9507      2.00000
      8     -20.8506      2.00000
      9     -20.8013      2.00000
     10     -20.7728      2.00000
     11     -20.7014      2.00000
     12     -20.6587      2.00000
     13     -20.6465      2.00000
     14     -20.6025      2.00000
     15     -20.5743      2.00000
     16     -20.5693      2.00000
     17     -20.5343      2.00000
     18     -20.5205      2.00000
     19     -20.4839      2.00000
     20     -20.4820      2.00000
     21     -20.4510      2.00000
     22     -20.3887      2.00000
     23     -20.3864      2.00000
     24     -20.3656      2.00000
     25     -20.3552      2.00000
     26     -20.2897      2.00000
     27     -20.2889      2.00000
     28     -20.2506      2.00000
     29     -20.2215      2.00000
     30     -20.2079      2.00000
     31     -20.1803      2.00000
     32     -18.4438      2.00000
     33     -18.3333      2.00000
     34     -17.8083      2.00000
     35     -17.5257      2.00000
     36     -16.8571      2.00000
     37     -16.6762      2.00000
     38     -16.1836      2.00000
     39     -15.9742      2.00000
     40     -15.7948      2.00000
     41     -15.4885      2.00000
     42     -15.4638      2.00000
     43     -15.2940      2.00000
     44     -13.6641      2.00000
     45      -9.4170      2.00000
     46      -7.9877      2.00000
     47      -7.6758      2.00000
     48      -7.0689      2.00000
     49      -6.9440      2.00000
     50      -6.3399      2.00000
     51      -6.1780      2.00000
     52      -6.0353      2.00000
     53      -5.9389      2.00000
     54      -4.9194      2.00000
     55      -4.7667      2.00000
     56      -4.5559      2.00000
     57      -4.4088      2.00000
     58      -3.8959      2.00000
     59      -3.7014      2.00000
     60      -3.4822      2.00000
     61      -3.2944      2.00000
     62      -3.2255      2.00000
     63      -2.9949      2.00000
     64      -2.6428      2.00000
     65      -2.5505      2.00000
     66      -2.2812      2.00000
     67      -2.1535      2.00000
     68      -2.1278      2.00000
     69      -1.9491      2.00000
     70      -1.6367      2.00000
     71      -1.6270      2.00000
     72      -1.2339      2.00000
     73      -1.1255      2.00000
     74      -1.0908      2.00000
     75      -0.9124      2.00000
     76      -0.8495      2.00000
     77      -0.6764      2.00000
     78      -0.6666      2.00000
     79      -0.6052      2.00000
     80      -0.5641      2.00000
     81      -0.4863      2.00000
     82      -0.3351      2.00000
     83      -0.2807      2.00000
     84       0.7436      2.01551
     85       1.0536      1.69418
     86       1.7048     -0.00056
     87       2.3397     -0.00000
     88       2.6229     -0.00000
     89       3.0058     -0.00000
     90       3.4588     -0.00000
     91       3.9430     -0.00000
     92       4.3024     -0.00000
     93       5.0607     -0.00000
     94       5.3727     -0.00000
     95       5.5230     -0.00000
     96       6.3995     -0.00000
     97       6.4790      0.00000
     98       6.7251      0.00000
     99       6.9030      0.00000
    100       7.1647      0.00000
    101       7.4043      0.00000
    102       7.5980      0.00000

 k-point    22 :       0.0000   -0.4000    0.3333
  band No.  band energies     occupation 
      1     -28.6612      2.00000
      2     -21.4057      2.00000
      3     -21.3304      2.00000
      4     -21.2345      2.00000
      5     -21.2201      2.00000
      6     -21.0886      2.00000
      7     -20.9489      2.00000
      8     -20.8507      2.00000
      9     -20.8017      2.00000
     10     -20.7732      2.00000
     11     -20.6979      2.00000
     12     -20.6593      2.00000
     13     -20.6468      2.00000
     14     -20.5973      2.00000
     15     -20.5740      2.00000
     16     -20.5713      2.00000
     17     -20.5349      2.00000
     18     -20.5195      2.00000
     19     -20.4840      2.00000
     20     -20.4828      2.00000
     21     -20.4513      2.00000
     22     -20.3895      2.00000
     23     -20.3856      2.00000
     24     -20.3657      2.00000
     25     -20.3571      2.00000
     26     -20.2895      2.00000
     27     -20.2891      2.00000
     28     -20.2507      2.00000
     29     -20.2214      2.00000
     30     -20.2078      2.00000
     31     -20.1802      2.00000
     32     -18.4651      2.00000
     33     -18.3393      2.00000
     34     -17.7716      2.00000
     35     -17.5226      2.00000
     36     -16.8760      2.00000
     37     -16.6715      2.00000
     38     -16.1937      2.00000
     39     -15.9658      2.00000
     40     -15.7818      2.00000
     41     -15.4868      2.00000
     42     -15.4684      2.00000
     43     -15.2973      2.00000
     44     -13.6652      2.00000
     45      -9.4158      2.00000
     46      -7.9718      2.00000
     47      -7.6951      2.00000
     48      -7.0632      2.00000
     49      -6.9418      2.00000
     50      -6.3726      2.00000
     51      -6.1905      2.00000
     52      -6.0203      2.00000
     53      -5.9273      2.00000
     54      -4.8851      2.00000
     55      -4.7667      2.00000
     56      -4.5855      2.00000
     57      -4.4101      2.00000
     58      -3.9082      2.00000
     59      -3.6549      2.00000
     60      -3.4711      2.00000
     61      -3.3313      2.00000
     62      -3.2777      2.00000
     63      -3.0801      2.00000
     64      -2.5682      2.00000
     65      -2.4478      2.00000
     66      -2.2736      2.00000
     67      -2.1813      2.00000
     68      -2.0926      2.00000
     69      -1.8870      2.00000
     70      -1.6827      2.00000
     71      -1.6617      2.00000
     72      -1.2699      2.00000
     73      -1.1419      2.00000
     74      -1.0810      2.00000
     75      -0.9188      2.00000
     76      -0.8071      2.00000
     77      -0.6897      2.00000
     78      -0.6621      2.00000
     79      -0.6067      2.00000
     80      -0.5788      2.00000
     81      -0.4869      2.00000
     82      -0.3409      2.00000
     83      -0.2866      2.00000
     84       0.7181      2.01002
     85       1.0696      1.59387
     86       1.7062     -0.00054
     87       2.3493     -0.00000
     88       2.6030     -0.00000
     89       3.0301     -0.00000
     90       3.3882     -0.00000
     91       3.9593     -0.00000
     92       4.2977     -0.00000
     93       5.2073     -0.00000
     94       5.3463     -0.00000
     95       5.6036     -0.00000
     96       6.1961     -0.00000
     97       6.4045     -0.00000
     98       6.7736      0.00000
     99       6.9080      0.00000
    100       7.1582      0.00000
    101       7.2791      0.00000
    102       7.5776      0.00000

 k-point    23 :       0.2000    0.2000    0.3333
  band No.  band energies     occupation 
      1     -28.6604      2.00000
      2     -21.4190      2.00000
      3     -21.2966      2.00000
      4     -21.2376      2.00000
      5     -21.1441      2.00000
      6     -21.0247      2.00000
      7     -21.0108      2.00000
      8     -20.8567      2.00000
      9     -20.8115      2.00000
     10     -20.7683      2.00000
     11     -20.6786      2.00000
     12     -20.6547      2.00000
     13     -20.6490      2.00000
     14     -20.6290      2.00000
     15     -20.6086      2.00000
     16     -20.5776      2.00000
     17     -20.5743      2.00000
     18     -20.5679      2.00000
     19     -20.5327      2.00000
     20     -20.4823      2.00000
     21     -20.4456      2.00000
     22     -20.3942      2.00000
     23     -20.3914      2.00000
     24     -20.3622      2.00000
     25     -20.3582      2.00000
     26     -20.2892      2.00000
     27     -20.2889      2.00000
     28     -20.2500      2.00000
     29     -20.2303      2.00000
     30     -20.2025      2.00000
     31     -20.1777      2.00000
     32     -18.5541      2.00000
     33     -18.2629      2.00000
     34     -17.6020      2.00000
     35     -17.2145      2.00000
     36     -16.8912      2.00000
     37     -16.7839      2.00000
     38     -16.1644      2.00000
     39     -16.1410      2.00000
     40     -15.9299      2.00000
     41     -15.5063      2.00000
     42     -15.4719      2.00000
     43     -15.2278      2.00000
     44     -13.6793      2.00000
     45      -9.4686      2.00000
     46      -7.9375      2.00000
     47      -7.7539      2.00000
     48      -7.5216      2.00000
     49      -7.3095      2.00000
     50      -6.5816      2.00000
     51      -6.1226      2.00000
     52      -5.9639      2.00000
     53      -4.8928      2.00000
     54      -4.8799      2.00000
     55      -4.4246      2.00000
     56      -4.0446      2.00000
     57      -3.9009      2.00000
     58      -3.8579      2.00000
     59      -3.7306      2.00000
     60      -3.3986      2.00000
     61      -3.2278      2.00000
     62      -3.1007      2.00000
     63      -2.9291      2.00000
     64      -2.7941      2.00000
     65      -2.6694      2.00000
     66      -2.5405      2.00000
     67      -2.4339      2.00000
     68      -1.9966      2.00000
     69      -1.9459      2.00000
     70      -1.7404      2.00000
     71      -1.5743      2.00000
     72      -1.2613      2.00000
     73      -1.1459      2.00000
     74      -1.0287      2.00000
     75      -0.9960      2.00000
     76      -0.9425      2.00000
     77      -0.8826      2.00000
     78      -0.7645      2.00000
     79      -0.6774      2.00000
     80      -0.4222      2.00000
     81      -0.3789      2.00000
     82      -0.2636      2.00000
     83      -0.1211      2.00000
     84       0.7160      2.00964
     85       0.9975      1.94635
     86       1.3291     -0.02869
     87       1.5392     -0.01769
     88       2.2820     -0.00000
     89       2.4432     -0.00000
     90       3.3742     -0.00000
     91       4.0954     -0.00000
     92       4.3206     -0.00000
     93       5.0678     -0.00000
     94       5.1761     -0.00000
     95       5.5536     -0.00000
     96       6.2970     -0.00000
     97       6.4221     -0.00000
     98       6.5539      0.00000
     99       6.8657      0.00000
    100       6.9330      0.00000
    101       7.1651      0.00000
    102       7.5223      0.00000

 k-point    24 :      -0.2000    0.2000    0.3333
  band No.  band energies     occupation 
      1     -28.6607      2.00000
      2     -21.3474      2.00000
      3     -21.3394      2.00000
      4     -21.2098      2.00000
      5     -21.2076      2.00000
      6     -21.1178      2.00000
      7     -20.9076      2.00000
      8     -20.8506      2.00000
      9     -20.8080      2.00000
     10     -20.7983      2.00000
     11     -20.7558      2.00000
     12     -20.6871      2.00000
     13     -20.6464      2.00000
     14     -20.6014      2.00000
     15     -20.5752      2.00000
     16     -20.5703      2.00000
     17     -20.5341      2.00000
     18     -20.5126      2.00000
     19     -20.4823      2.00000
     20     -20.4769      2.00000
     21     -20.4505      2.00000
     22     -20.4473      2.00000
     23     -20.3944      2.00000
     24     -20.3869      2.00000
     25     -20.3590      2.00000
     26     -20.2881      2.00000
     27     -20.2766      2.00000
     28     -20.2623      2.00000
     29     -20.2280      2.00000
     30     -20.2027      2.00000
     31     -20.1804      2.00000
     32     -18.4391      2.00000
     33     -18.4158      2.00000
     34     -17.5429      2.00000
     35     -17.3237      2.00000
     36     -16.9552      2.00000
     37     -16.6166      2.00000
     38     -16.3603      2.00000
     39     -15.9272      2.00000
     40     -15.8293      2.00000
     41     -15.6261      2.00000
     42     -15.4205      2.00000
     43     -15.2965      2.00000
     44     -13.6834      2.00000
     45      -9.4705      2.00000
     46      -8.0510      2.00000
     47      -7.6850      2.00000
     48      -7.5956      2.00000
     49      -7.2130      2.00000
     50      -6.4903      2.00000
     51      -6.2230      2.00000
     52      -5.7945      2.00000
     53      -5.1063      2.00000
     54      -4.4939      2.00000
     55      -4.4797      2.00000
     56      -4.1388      2.00000
     57      -4.0577      2.00000
     58      -3.9534      2.00000
     59      -3.8031      2.00000
     60      -3.3677      2.00000
     61      -3.3389      2.00000
     62      -3.0963      2.00000
     63      -2.8450      2.00000
     64      -2.8192      2.00000
     65      -2.6478      2.00000
     66      -2.5704      2.00000
     67      -2.2664      2.00000
     68      -2.1952      2.00000
     69      -1.9854      2.00000
     70      -1.5116      2.00000
     71      -1.4565      2.00000
     72      -1.3315      2.00000
     73      -1.1969      2.00000
     74      -1.1783      2.00000
     75      -0.9181      2.00000
     76      -0.8323      2.00000
     77      -0.7559      2.00000
     78      -0.7397      2.00000
     79      -0.6289      2.00000
     80      -0.5649      2.00000
     81      -0.3719      2.00000
     82      -0.3254      2.00000
     83      -0.1353      2.00000
     84       0.6365      2.00189
     85       1.0997      1.37659
     86       1.2791      0.10384
     87       1.8619     -0.00001
     88       2.0166     -0.00000
     89       2.7522     -0.00000
     90       3.0431     -0.00000
     91       3.8396     -0.00000
     92       4.6965     -0.00000
     93       4.9620     -0.00000
     94       5.2453     -0.00000
     95       5.4890     -0.00000
     96       6.3368     -0.00000
     97       6.3812     -0.00000
     98       6.5197      0.00000
     99       6.7869      0.00000
    100       7.0249      0.00000
    101       7.1573      0.00000
    102       7.5156      0.00000

 k-point    25 :      -0.2000   -0.2000    0.3333
  band No.  band energies     occupation 
      1     -28.6603      2.00000
      2     -21.4190      2.00000
      3     -21.2966      2.00000
      4     -21.2376      2.00000
      5     -21.1441      2.00000
      6     -21.0247      2.00000
      7     -21.0108      2.00000
      8     -20.8567      2.00000
      9     -20.8115      2.00000
     10     -20.7683      2.00000
     11     -20.6786      2.00000
     12     -20.6547      2.00000
     13     -20.6490      2.00000
     14     -20.6290      2.00000
     15     -20.6086      2.00000
     16     -20.5776      2.00000
     17     -20.5743      2.00000
     18     -20.5679      2.00000
     19     -20.5327      2.00000
     20     -20.4823      2.00000
     21     -20.4456      2.00000
     22     -20.3942      2.00000
     23     -20.3914      2.00000
     24     -20.3622      2.00000
     25     -20.3582      2.00000
     26     -20.2892      2.00000
     27     -20.2889      2.00000
     28     -20.2500      2.00000
     29     -20.2303      2.00000
     30     -20.2025      2.00000
     31     -20.1777      2.00000
     32     -18.5541      2.00000
     33     -18.2629      2.00000
     34     -17.6020      2.00000
     35     -17.2146      2.00000
     36     -16.8913      2.00000
     37     -16.7839      2.00000
     38     -16.1644      2.00000
     39     -16.1409      2.00000
     40     -15.9299      2.00000
     41     -15.5062      2.00000
     42     -15.4720      2.00000
     43     -15.2277      2.00000
     44     -13.6793      2.00000
     45      -9.4686      2.00000
     46      -7.9375      2.00000
     47      -7.7539      2.00000
     48      -7.5216      2.00000
     49      -7.3095      2.00000
     50      -6.5816      2.00000
     51      -6.1225      2.00000
     52      -5.9640      2.00000
     53      -4.8928      2.00000
     54      -4.8800      2.00000
     55      -4.4246      2.00000
     56      -4.0446      2.00000
     57      -3.9009      2.00000
     58      -3.8579      2.00000
     59      -3.7305      2.00000
     60      -3.3986      2.00000
     61      -3.2278      2.00000
     62      -3.1006      2.00000
     63      -2.9292      2.00000
     64      -2.7941      2.00000
     65      -2.6694      2.00000
     66      -2.5405      2.00000
     67      -2.4338      2.00000
     68      -1.9966      2.00000
     69      -1.9460      2.00000
     70      -1.7404      2.00000
     71      -1.5742      2.00000
     72      -1.2613      2.00000
     73      -1.1459      2.00000
     74      -1.0286      2.00000
     75      -0.9960      2.00000
     76      -0.9426      2.00000
     77      -0.8824      2.00000
     78      -0.7645      2.00000
     79      -0.6773      2.00000
     80      -0.4221      2.00000
     81      -0.3789      2.00000
     82      -0.2637      2.00000
     83      -0.1211      2.00000
     84       0.7160      2.00964
     85       0.9976      1.94596
     86       1.3294     -0.02926
     87       1.5390     -0.01775
     88       2.2820     -0.00000
     89       2.4433     -0.00000
     90       3.3739     -0.00000
     91       4.0953     -0.00000
     92       4.3206     -0.00000
     93       5.0675     -0.00000
     94       5.1760     -0.00000
     95       5.5535     -0.00000
     96       6.2998     -0.00000
     97       6.4195     -0.00000
     98       6.5528      0.00000
     99       6.8804      0.00000
    100       6.9189      0.00000
    101       7.1782      0.00000
    102       7.4799      0.00000

 k-point    26 :       0.2000   -0.2000    0.3333
  band No.  band energies     occupation 
      1     -28.6606      2.00000
      2     -21.3474      2.00000
      3     -21.3394      2.00000
      4     -21.2098      2.00000
      5     -21.2076      2.00000
      6     -21.1178      2.00000
      7     -20.9076      2.00000
      8     -20.8506      2.00000
      9     -20.8080      2.00000
     10     -20.7983      2.00000
     11     -20.7558      2.00000
     12     -20.6871      2.00000
     13     -20.6464      2.00000
     14     -20.6014      2.00000
     15     -20.5752      2.00000
     16     -20.5703      2.00000
     17     -20.5341      2.00000
     18     -20.5126      2.00000
     19     -20.4823      2.00000
     20     -20.4769      2.00000
     21     -20.4505      2.00000
     22     -20.4473      2.00000
     23     -20.3944      2.00000
     24     -20.3869      2.00000
     25     -20.3590      2.00000
     26     -20.2881      2.00000
     27     -20.2766      2.00000
     28     -20.2623      2.00000
     29     -20.2280      2.00000
     30     -20.2027      2.00000
     31     -20.1804      2.00000
     32     -18.4391      2.00000
     33     -18.4158      2.00000
     34     -17.5429      2.00000
     35     -17.3237      2.00000
     36     -16.9552      2.00000
     37     -16.6166      2.00000
     38     -16.3604      2.00000
     39     -15.9272      2.00000
     40     -15.8292      2.00000
     41     -15.6261      2.00000
     42     -15.4205      2.00000
     43     -15.2965      2.00000
     44     -13.6834      2.00000
     45      -9.4704      2.00000
     46      -8.0510      2.00000
     47      -7.6850      2.00000
     48      -7.5955      2.00000
     49      -7.2130      2.00000
     50      -6.4904      2.00000
     51      -6.2230      2.00000
     52      -5.7944      2.00000
     53      -5.1062      2.00000
     54      -4.4939      2.00000
     55      -4.4798      2.00000
     56      -4.1388      2.00000
     57      -4.0577      2.00000
     58      -3.9534      2.00000
     59      -3.8031      2.00000
     60      -3.3677      2.00000
     61      -3.3390      2.00000
     62      -3.0963      2.00000
     63      -2.8450      2.00000
     64      -2.8193      2.00000
     65      -2.6477      2.00000
     66      -2.5704      2.00000
     67      -2.2665      2.00000
     68      -2.1952      2.00000
     69      -1.9853      2.00000
     70      -1.5117      2.00000
     71      -1.4564      2.00000
     72      -1.3313      2.00000
     73      -1.1968      2.00000
     74      -1.1784      2.00000
     75      -0.9181      2.00000
     76      -0.8323      2.00000
     77      -0.7559      2.00000
     78      -0.7396      2.00000
     79      -0.6289      2.00000
     80      -0.5649      2.00000
     81      -0.3719      2.00000
     82      -0.3254      2.00000
     83      -0.1353      2.00000
     84       0.6363      2.00188
     85       1.0997      1.37657
     86       1.2788      0.10477
     87       1.8620     -0.00000
     88       2.0170     -0.00000
     89       2.7518     -0.00000
     90       3.0433     -0.00000
     91       3.8397     -0.00000
     92       4.6965     -0.00000
     93       4.9621     -0.00000
     94       5.2457     -0.00000
     95       5.4892     -0.00000
     96       6.3080     -0.00000
     97       6.4091     -0.00000
     98       6.5286      0.00000
     99       6.7820      0.00000
    100       6.9980      0.00000
    101       7.1570      0.00000
    102       7.6215      0.00000

 k-point    27 :       0.4000    0.2000    0.3333
  band No.  band energies     occupation 
      1     -28.6603      2.00000
      2     -21.4003      2.00000
      3     -21.2905      2.00000
      4     -21.2400      2.00000
      5     -21.1901      2.00000
      6     -21.0513      2.00000
      7     -20.9753      2.00000
      8     -20.8553      2.00000
      9     -20.8030      2.00000
     10     -20.7759      2.00000
     11     -20.7291      2.00000
     12     -20.6818      2.00000
     13     -20.6425      2.00000
     14     -20.6174      2.00000
     15     -20.6054      2.00000
     16     -20.5731      2.00000
     17     -20.5682      2.00000
     18     -20.5479      2.00000
     19     -20.5322      2.00000
     20     -20.4820      2.00000
     21     -20.4479      2.00000
     22     -20.3902      2.00000
     23     -20.3851      2.00000
     24     -20.3659      2.00000
     25     -20.3572      2.00000
     26     -20.2894      2.00000
     27     -20.2893      2.00000
     28     -20.2502      2.00000
     29     -20.2206      2.00000
     30     -20.2074      2.00000
     31     -20.1793      2.00000
     32     -18.3411      2.00000
     33     -18.0965      2.00000
     34     -17.7270      2.00000
     35     -17.4319      2.00000
     36     -16.7838      2.00000
     37     -16.7642      2.00000
     38     -16.1833      2.00000
     39     -16.0975      2.00000
     40     -15.8790      2.00000
     41     -15.6310      2.00000
     42     -15.5040      2.00000
     43     -15.3372      2.00000
     44     -13.6831      2.00000
     45      -9.4511      2.00000
     46      -7.9765      2.00000
     47      -7.6981      2.00000
     48      -7.1913      2.00000
     49      -6.8268      2.00000
     50      -6.5908      2.00000
     51      -6.5097      2.00000
     52      -6.2819      2.00000
     53      -5.3823      2.00000
     54      -5.0095      2.00000
     55      -4.7170      2.00000
     56      -4.2550      2.00000
     57      -4.2042      2.00000
     58      -3.7778      2.00000
     59      -3.5870      2.00000
     60      -3.4848      2.00000
     61      -3.3677      2.00000
     62      -3.1025      2.00000
     63      -3.0190      2.00000
     64      -2.7537      2.00000
     65      -2.7121      2.00000
     66      -2.3416      2.00000
     67      -2.2822      2.00000
     68      -2.1217      2.00000
     69      -1.9269      2.00000
     70      -1.5296      2.00000
     71      -1.5098      2.00000
     72      -1.1751      2.00000
     73      -1.1126      2.00000
     74      -1.0724      2.00000
     75      -0.9254      2.00000
     76      -0.8858      2.00000
     77      -0.7844      2.00000
     78      -0.7553      2.00000
     79      -0.6007      2.00000
     80      -0.4181      2.00000
     81      -0.3513      2.00000
     82      -0.2639      2.00000
     83      -0.1062      2.00000
     84       0.7470      2.01637
     85       1.0300      1.81965
     86       1.7696     -0.00009
     87       1.9956     -0.00000
     88       2.6686     -0.00000
     89       2.8076     -0.00000
     90       3.4367     -0.00000
     91       3.8620     -0.00000
     92       4.1321     -0.00000
     93       5.1306     -0.00000
     94       5.4641     -0.00000
     95       5.6921     -0.00000
     96       6.4116     -0.00000
     97       6.5750      0.00000
     98       6.7605      0.00000
     99       7.0473      0.00000
    100       7.2257      0.00000
    101       7.4078      0.00000
    102       7.6753      0.00000

 k-point    28 :      -0.2000    0.4000    0.3333
  band No.  band energies     occupation 
      1     -28.6608      2.00000
      2     -21.3477      2.00000
      3     -21.3216      2.00000
      4     -21.2295      2.00000
      5     -21.2244      2.00000
      6     -21.0986      2.00000
      7     -20.9235      2.00000
      8     -20.8522      2.00000
      9     -20.8169      2.00000
     10     -20.7962      2.00000
     11     -20.7459      2.00000
     12     -20.7069      2.00000
     13     -20.6464      2.00000
     14     -20.5990      2.00000
     15     -20.5736      2.00000
     16     -20.5704      2.00000
     17     -20.5482      2.00000
     18     -20.5328      2.00000
     19     -20.4846      2.00000
     20     -20.4798      2.00000
     21     -20.4510      2.00000
     22     -20.4161      2.00000
     23     -20.3881      2.00000
     24     -20.3855      2.00000
     25     -20.3634      2.00000
     26     -20.2887      2.00000
     27     -20.2832      2.00000
     28     -20.2561      2.00000
     29     -20.2180      2.00000
     30     -20.2085      2.00000
     31     -20.1811      2.00000
     32     -18.2678      2.00000
     33     -18.2275      2.00000
     34     -17.6610      2.00000
     35     -17.4538      2.00000
     36     -16.9241      2.00000
     37     -16.6082      2.00000
     38     -16.2861      2.00000
     39     -15.9647      2.00000
     40     -15.8733      2.00000
     41     -15.5491      2.00000
     42     -15.5279      2.00000
     43     -15.4330      2.00000
     44     -13.6863      2.00000
     45      -9.4511      2.00000
     46      -8.0131      2.00000
     47      -7.6923      2.00000
     48      -7.2875      2.00000
     49      -6.7232      2.00000
     50      -6.5090      2.00000
     51      -6.4371      2.00000
     52      -6.3232      2.00000
     53      -5.4759      2.00000
     54      -4.9782      2.00000
     55      -4.6238      2.00000
     56      -4.3311      2.00000
     57      -4.2050      2.00000
     58      -3.8614      2.00000
     59      -3.6903      2.00000
     60      -3.5126      2.00000
     61      -3.2908      2.00000
     62      -3.2340      2.00000
     63      -2.9501      2.00000
     64      -2.7781      2.00000
     65      -2.5456      2.00000
     66      -2.3905      2.00000
     67      -2.2393      2.00000
     68      -2.1559      2.00000
     69      -1.9417      2.00000
     70      -1.4803      2.00000
     71      -1.4195      2.00000
     72      -1.2370      2.00000
     73      -1.1233      2.00000
     74      -1.0104      2.00000
     75      -0.9618      2.00000
     76      -0.9561      2.00000
     77      -0.7257      2.00000
     78      -0.6988      2.00000
     79      -0.6100      2.00000
     80      -0.4846      2.00000
     81      -0.3078      2.00000
     82      -0.2773      2.00000
     83      -0.1412      2.00000
     84       0.6843      2.00527
     85       1.0949      1.41381
     86       1.7157     -0.00042
     87       2.2457     -0.00000
     88       2.5726     -0.00000
     89       2.9766     -0.00000
     90       3.1610     -0.00000
     91       3.6078     -0.00000
     92       4.4276     -0.00000
     93       5.2742     -0.00000
     94       5.4376     -0.00000
     95       5.6477     -0.00000
     96       6.2888     -0.00000
     97       6.5265      0.00000
     98       6.8335      0.00000
     99       6.9934      0.00000
    100       7.0948      0.00000
    101       7.3734      0.00000
    102       7.6168      0.00000

 k-point    29 :      -0.4000   -0.2000    0.3333
  band No.  band energies     occupation 
      1     -28.6603      2.00000
      2     -21.4003      2.00000
      3     -21.2905      2.00000
      4     -21.2400      2.00000
      5     -21.1901      2.00000
      6     -21.0513      2.00000
      7     -20.9753      2.00000
      8     -20.8553      2.00000
      9     -20.8030      2.00000
     10     -20.7759      2.00000
     11     -20.7291      2.00000
     12     -20.6818      2.00000
     13     -20.6425      2.00000
     14     -20.6174      2.00000
     15     -20.6054      2.00000
     16     -20.5731      2.00000
     17     -20.5682      2.00000
     18     -20.5479      2.00000
     19     -20.5322      2.00000
     20     -20.4820      2.00000
     21     -20.4479      2.00000
     22     -20.3902      2.00000
     23     -20.3851      2.00000
     24     -20.3659      2.00000
     25     -20.3572      2.00000
     26     -20.2894      2.00000
     27     -20.2893      2.00000
     28     -20.2502      2.00000
     29     -20.2206      2.00000
     30     -20.2074      2.00000
     31     -20.1793      2.00000
     32     -18.3410      2.00000
     33     -18.0965      2.00000
     34     -17.7271      2.00000
     35     -17.4319      2.00000
     36     -16.7838      2.00000
     37     -16.7642      2.00000
     38     -16.1834      2.00000
     39     -16.0975      2.00000
     40     -15.8789      2.00000
     41     -15.6310      2.00000
     42     -15.5040      2.00000
     43     -15.3372      2.00000
     44     -13.6832      2.00000
     45      -9.4511      2.00000
     46      -7.9764      2.00000
     47      -7.6982      2.00000
     48      -7.1913      2.00000
     49      -6.8268      2.00000
     50      -6.5908      2.00000
     51      -6.5098      2.00000
     52      -6.2819      2.00000
     53      -5.3824      2.00000
     54      -5.0097      2.00000
     55      -4.7170      2.00000
     56      -4.2550      2.00000
     57      -4.2042      2.00000
     58      -3.7778      2.00000
     59      -3.5870      2.00000
     60      -3.4847      2.00000
     61      -3.3678      2.00000
     62      -3.1024      2.00000
     63      -3.0190      2.00000
     64      -2.7536      2.00000
     65      -2.7123      2.00000
     66      -2.3415      2.00000
     67      -2.2821      2.00000
     68      -2.1217      2.00000
     69      -1.9268      2.00000
     70      -1.5296      2.00000
     71      -1.5098      2.00000
     72      -1.1751      2.00000
     73      -1.1126      2.00000
     74      -1.0723      2.00000
     75      -0.9255      2.00000
     76      -0.8857      2.00000
     77      -0.7844      2.00000
     78      -0.7553      2.00000
     79      -0.6008      2.00000
     80      -0.4181      2.00000
     81      -0.3513      2.00000
     82      -0.2640      2.00000
     83      -0.1062      2.00000
     84       0.7470      2.01638
     85       1.0297      1.82088
     86       1.7696     -0.00009
     87       1.9954     -0.00000
     88       2.6686     -0.00000
     89       2.8075     -0.00000
     90       3.4367     -0.00000
     91       3.8621     -0.00000
     92       4.1321     -0.00000
     93       5.1306     -0.00000
     94       5.4617     -0.00000
     95       5.6969     -0.00000
     96       6.3976     -0.00000
     97       6.5991      0.00000
     98       6.7337      0.00000
     99       7.0842      0.00000
    100       7.1975      0.00000
    101       7.4442      0.00000
    102       7.6037      0.00000

 k-point    30 :       0.2000   -0.4000    0.3333
  band No.  band energies     occupation 
      1     -28.6608      2.00000
      2     -21.3477      2.00000
      3     -21.3216      2.00000
      4     -21.2295      2.00000
      5     -21.2244      2.00000
      6     -21.0986      2.00000
      7     -20.9235      2.00000
      8     -20.8522      2.00000
      9     -20.8169      2.00000
     10     -20.7962      2.00000
     11     -20.7459      2.00000
     12     -20.7069      2.00000
     13     -20.6464      2.00000
     14     -20.5990      2.00000
     15     -20.5736      2.00000
     16     -20.5704      2.00000
     17     -20.5482      2.00000
     18     -20.5328      2.00000
     19     -20.4846      2.00000
     20     -20.4798      2.00000
     21     -20.4510      2.00000
     22     -20.4161      2.00000
     23     -20.3881      2.00000
     24     -20.3855      2.00000
     25     -20.3634      2.00000
     26     -20.2887      2.00000
     27     -20.2832      2.00000
     28     -20.2561      2.00000
     29     -20.2180      2.00000
     30     -20.2085      2.00000
     31     -20.1811      2.00000
     32     -18.2679      2.00000
     33     -18.2274      2.00000
     34     -17.6609      2.00000
     35     -17.4539      2.00000
     36     -16.9241      2.00000
     37     -16.6083      2.00000
     38     -16.2861      2.00000
     39     -15.9648      2.00000
     40     -15.8734      2.00000
     41     -15.5491      2.00000
     42     -15.5280      2.00000
     43     -15.4329      2.00000
     44     -13.6864      2.00000
     45      -9.4511      2.00000
     46      -8.0130      2.00000
     47      -7.6924      2.00000
     48      -7.2875      2.00000
     49      -6.7232      2.00000
     50      -6.5090      2.00000
     51      -6.4371      2.00000
     52      -6.3231      2.00000
     53      -5.4758      2.00000
     54      -4.9783      2.00000
     55      -4.6239      2.00000
     56      -4.3311      2.00000
     57      -4.2050      2.00000
     58      -3.8614      2.00000
     59      -3.6902      2.00000
     60      -3.5126      2.00000
     61      -3.2908      2.00000
     62      -3.2341      2.00000
     63      -2.9502      2.00000
     64      -2.7780      2.00000
     65      -2.5455      2.00000
     66      -2.3905      2.00000
     67      -2.2392      2.00000
     68      -2.1560      2.00000
     69      -1.9417      2.00000
     70      -1.4803      2.00000
     71      -1.4195      2.00000
     72      -1.2370      2.00000
     73      -1.1233      2.00000
     74      -1.0103      2.00000
     75      -0.9618      2.00000
     76      -0.9561      2.00000
     77      -0.7257      2.00000
     78      -0.6988      2.00000
     79      -0.6099      2.00000
     80      -0.4847      2.00000
     81      -0.3078      2.00000
     82      -0.2773      2.00000
     83      -0.1412      2.00000
     84       0.6840      2.00523
     85       1.0947      1.41538
     86       1.7159     -0.00042
     87       2.2457     -0.00000
     88       2.5725     -0.00000
     89       2.9767     -0.00000
     90       3.1612     -0.00000
     91       3.6076     -0.00000
     92       4.4276     -0.00000
     93       5.2741     -0.00000
     94       5.4371     -0.00000
     95       5.6499     -0.00000
     96       6.2747     -0.00000
     97       6.5492      0.00000
     98       6.8208      0.00000
     99       7.0132      0.00000
    100       7.0685      0.00000
    101       7.3597      0.00000
    102       7.6958      0.00000

 k-point    31 :      -0.4000    0.2000   -0.3333
  band No.  band energies     occupation 
      1     -28.6604      2.00000
      2     -21.3490      2.00000
      3     -21.3251      2.00000
      4     -21.2286      2.00000
      5     -21.2191      2.00000
      6     -21.0976      2.00000
      7     -20.9246      2.00000
      8     -20.8521      2.00000
      9     -20.8166      2.00000
     10     -20.7947      2.00000
     11     -20.7466      2.00000
     12     -20.7112      2.00000
     13     -20.6461      2.00000
     14     -20.6011      2.00000
     15     -20.5735      2.00000
     16     -20.5690      2.00000
     17     -20.5492      2.00000
     18     -20.5319      2.00000
     19     -20.4842      2.00000
     20     -20.4799      2.00000
     21     -20.4508      2.00000
     22     -20.4146      2.00000
     23     -20.3872      2.00000
     24     -20.3862      2.00000
     25     -20.3635      2.00000
     26     -20.2885      2.00000
     27     -20.2833      2.00000
     28     -20.2560      2.00000
     29     -20.2180      2.00000
     30     -20.2087      2.00000
     31     -20.1811      2.00000
     32     -18.2480      2.00000
     33     -18.2230      2.00000
     34     -17.6988      2.00000
     35     -17.4561      2.00000
     36     -16.9018      2.00000
     37     -16.6130      2.00000
     38     -16.2801      2.00000
     39     -15.9671      2.00000
     40     -15.8841      2.00000
     41     -15.5515      2.00000
     42     -15.5287      2.00000
     43     -15.4264      2.00000
     44     -13.6855      2.00000
     45      -9.4519      2.00000
     46      -8.0216      2.00000
     47      -7.6815      2.00000
     48      -7.2886      2.00000
     49      -6.7208      2.00000
     50      -6.5061      2.00000
     51      -6.4368      2.00000
     52      -6.3237      2.00000
     53      -5.4702      2.00000
     54      -5.0008      2.00000
     55      -4.6105      2.00000
     56      -4.3064      2.00000
     57      -4.2133      2.00000
     58      -3.8458      2.00000
     59      -3.7214      2.00000
     60      -3.5348      2.00000
     61      -3.2536      2.00000
     62      -3.1759      2.00000
     63      -2.9741      2.00000
     64      -2.8143      2.00000
     65      -2.5768      2.00000
     66      -2.4084      2.00000
     67      -2.1782      2.00000
     68      -2.1614      2.00000
     69      -1.9979      2.00000
     70      -1.4905      2.00000
     71      -1.4364      2.00000
     72      -1.2430      2.00000
     73      -1.0465      2.00000
     74      -1.0077      2.00000
     75      -0.9821      2.00000
     76      -0.9446      2.00000
     77      -0.7503      2.00000
     78      -0.6895      2.00000
     79      -0.5947      2.00000
     80      -0.4777      2.00000
     81      -0.3085      2.00000
     82      -0.2803      2.00000
     83      -0.1434      2.00000
     84       0.7045      2.00781
     85       1.0821      1.50807
     86       1.7156     -0.00042
     87       2.2527     -0.00000
     88       2.5672     -0.00000
     89       2.9691     -0.00000
     90       3.1900     -0.00000
     91       3.6171     -0.00000
     92       4.4175     -0.00000
     93       5.0915     -0.00000
     94       5.5067     -0.00000
     95       5.6456     -0.00000
     96       6.4236     -0.00000
     97       6.5360      0.00000
     98       6.8411      0.00000
     99       6.9765      0.00000
    100       7.1523      0.00000
    101       7.3599      0.00000
    102       7.7819      0.00000

 k-point    32 :       0.2000    0.4000   -0.3333
  band No.  band energies     occupation 
      1     -28.6606      2.00000
      2     -21.3995      2.00000
      3     -21.2853      2.00000
      4     -21.2401      2.00000
      5     -21.1991      2.00000
      6     -21.0518      2.00000
      7     -20.9737      2.00000
      8     -20.8554      2.00000
      9     -20.8040      2.00000
     10     -20.7759      2.00000
     11     -20.7233      2.00000
     12     -20.6813      2.00000
     13     -20.6429      2.00000
     14     -20.6196      2.00000
     15     -20.6022      2.00000
     16     -20.5730      2.00000
     17     -20.5710      2.00000
     18     -20.5474      2.00000
     19     -20.5327      2.00000
     20     -20.4819      2.00000
     21     -20.4479      2.00000
     22     -20.3905      2.00000
     23     -20.3848      2.00000
     24     -20.3661      2.00000
     25     -20.3581      2.00000
     26     -20.2894      2.00000
     27     -20.2893      2.00000
     28     -20.2503      2.00000
     29     -20.2205      2.00000
     30     -20.2073      2.00000
     31     -20.1793      2.00000
     32     -18.3571      2.00000
     33     -18.1016      2.00000
     34     -17.6980      2.00000
     35     -17.4284      2.00000
     36     -16.8016      2.00000
     37     -16.7627      2.00000
     38     -16.1867      2.00000
     39     -16.0929      2.00000
     40     -15.8704      2.00000
     41     -15.6290      2.00000
     42     -15.5074      2.00000
     43     -15.3385      2.00000
     44     -13.6839      2.00000
     45      -9.4503      2.00000
     46      -7.9651      2.00000
     47      -7.7120      2.00000
     48      -7.1872      2.00000
     49      -6.8256      2.00000
     50      -6.5953      2.00000
     51      -6.5142      2.00000
     52      -6.2899      2.00000
     53      -5.3771      2.00000
     54      -4.9957      2.00000
     55      -4.7186      2.00000
     56      -4.2651      2.00000
     57      -4.2032      2.00000
     58      -3.7519      2.00000
     59      -3.5934      2.00000
     60      -3.5315      2.00000
     61      -3.3788      2.00000
     62      -3.1093      2.00000
     63      -3.0419      2.00000
     64      -2.7093      2.00000
     65      -2.6663      2.00000
     66      -2.3457      2.00000
     67      -2.2909      2.00000
     68      -2.0979      2.00000
     69      -1.9240      2.00000
     70      -1.5286      2.00000
     71      -1.4982      2.00000
     72      -1.1981      2.00000
     73      -1.1466      2.00000
     74      -1.0718      2.00000
     75      -0.8876      2.00000
     76      -0.8762      2.00000
     77      -0.8032      2.00000
     78      -0.7699      2.00000
     79      -0.5999      2.00000
     80      -0.4253      2.00000
     81      -0.3496      2.00000
     82      -0.2672      2.00000
     83      -0.1059      2.00000
     84       0.7165      2.00973
     85       1.0553      1.68415
     86       1.7700     -0.00009
     87       1.9967     -0.00000
     88       2.6849     -0.00000
     89       2.7915     -0.00000
     90       3.3901     -0.00000
     91       3.8746     -0.00000
     92       4.1522     -0.00000
     93       5.2599     -0.00000
     94       5.4188     -0.00000
     95       5.7080     -0.00000
     96       6.3018     -0.00000
     97       6.5293      0.00000
     98       6.7702      0.00000
     99       7.0779      0.00000
    100       7.1709      0.00000
    101       7.4207      0.00000
    102       7.5138      0.00000

 k-point    33 :       0.4000   -0.2000   -0.3333
  band No.  band energies     occupation 
      1     -28.6604      2.00000
      2     -21.3490      2.00000
      3     -21.3251      2.00000
      4     -21.2286      2.00000
      5     -21.2191      2.00000
      6     -21.0976      2.00000
      7     -20.9245      2.00000
      8     -20.8521      2.00000
      9     -20.8166      2.00000
     10     -20.7948      2.00000
     11     -20.7466      2.00000
     12     -20.7112      2.00000
     13     -20.6461      2.00000
     14     -20.6011      2.00000
     15     -20.5735      2.00000
     16     -20.5690      2.00000
     17     -20.5492      2.00000
     18     -20.5319      2.00000
     19     -20.4842      2.00000
     20     -20.4799      2.00000
     21     -20.4508      2.00000
     22     -20.4146      2.00000
     23     -20.3872      2.00000
     24     -20.3862      2.00000
     25     -20.3635      2.00000
     26     -20.2885      2.00000
     27     -20.2833      2.00000
     28     -20.2560      2.00000
     29     -20.2180      2.00000
     30     -20.2087      2.00000
     31     -20.1811      2.00000
     32     -18.2480      2.00000
     33     -18.2229      2.00000
     34     -17.6989      2.00000
     35     -17.4562      2.00000
     36     -16.9018      2.00000
     37     -16.6130      2.00000
     38     -16.2802      2.00000
     39     -15.9671      2.00000
     40     -15.8840      2.00000
     41     -15.5515      2.00000
     42     -15.5287      2.00000
     43     -15.4263      2.00000
     44     -13.6856      2.00000
     45      -9.4520      2.00000
     46      -8.0216      2.00000
     47      -7.6815      2.00000
     48      -7.2886      2.00000
     49      -6.7208      2.00000
     50      -6.5061      2.00000
     51      -6.4368      2.00000
     52      -6.3237      2.00000
     53      -5.4702      2.00000
     54      -5.0008      2.00000
     55      -4.6105      2.00000
     56      -4.3064      2.00000
     57      -4.2133      2.00000
     58      -3.8458      2.00000
     59      -3.7214      2.00000
     60      -3.5348      2.00000
     61      -3.2536      2.00000
     62      -3.1760      2.00000
     63      -2.9742      2.00000
     64      -2.8144      2.00000
     65      -2.5766      2.00000
     66      -2.4083      2.00000
     67      -2.1781      2.00000
     68      -2.1613      2.00000
     69      -1.9979      2.00000
     70      -1.4904      2.00000
     71      -1.4364      2.00000
     72      -1.2430      2.00000
     73      -1.0465      2.00000
     74      -1.0077      2.00000
     75      -0.9822      2.00000
     76      -0.9446      2.00000
     77      -0.7501      2.00000
     78      -0.6895      2.00000
     79      -0.5949      2.00000
     80      -0.4778      2.00000
     81      -0.3084      2.00000
     82      -0.2803      2.00000
     83      -0.1434      2.00000
     84       0.7043      2.00777
     85       1.0819      1.50927
     86       1.7157     -0.00042
     87       2.2527     -0.00000
     88       2.5673     -0.00000
     89       2.9690     -0.00000
     90       3.1899     -0.00000
     91       3.6172     -0.00000
     92       4.4174     -0.00000
     93       5.0915     -0.00000
     94       5.5087     -0.00000
     95       5.6419     -0.00000
     96       6.4356     -0.00000
     97       6.5313      0.00000
     98       6.8075      0.00000
     99       7.0188      0.00000
    100       7.1474      0.00000
    101       7.3750      0.00000
    102       7.6761      0.00000

 k-point    34 :      -0.2000   -0.4000   -0.3333
  band No.  band energies     occupation 
      1     -28.6606      2.00000
      2     -21.3995      2.00000
      3     -21.2853      2.00000
      4     -21.2401      2.00000
      5     -21.1991      2.00000
      6     -21.0518      2.00000
      7     -20.9737      2.00000
      8     -20.8554      2.00000
      9     -20.8040      2.00000
     10     -20.7759      2.00000
     11     -20.7233      2.00000
     12     -20.6813      2.00000
     13     -20.6429      2.00000
     14     -20.6196      2.00000
     15     -20.6022      2.00000
     16     -20.5730      2.00000
     17     -20.5710      2.00000
     18     -20.5474      2.00000
     19     -20.5327      2.00000
     20     -20.4819      2.00000
     21     -20.4479      2.00000
     22     -20.3905      2.00000
     23     -20.3848      2.00000
     24     -20.3661      2.00000
     25     -20.3581      2.00000
     26     -20.2894      2.00000
     27     -20.2893      2.00000
     28     -20.2503      2.00000
     29     -20.2205      2.00000
     30     -20.2073      2.00000
     31     -20.1793      2.00000
     32     -18.3570      2.00000
     33     -18.1017      2.00000
     34     -17.6981      2.00000
     35     -17.4284      2.00000
     36     -16.8016      2.00000
     37     -16.7627      2.00000
     38     -16.1867      2.00000
     39     -16.0929      2.00000
     40     -15.8704      2.00000
     41     -15.6289      2.00000
     42     -15.5075      2.00000
     43     -15.3385      2.00000
     44     -13.6839      2.00000
     45      -9.4503      2.00000
     46      -7.9651      2.00000
     47      -7.7119      2.00000
     48      -7.1872      2.00000
     49      -6.8256      2.00000
     50      -6.5953      2.00000
     51      -6.5143      2.00000
     52      -6.2899      2.00000
     53      -5.3771      2.00000
     54      -4.9958      2.00000
     55      -4.7185      2.00000
     56      -4.2650      2.00000
     57      -4.2031      2.00000
     58      -3.7519      2.00000
     59      -3.5934      2.00000
     60      -3.5316      2.00000
     61      -3.3788      2.00000
     62      -3.1092      2.00000
     63      -3.0420      2.00000
     64      -2.7093      2.00000
     65      -2.6662      2.00000
     66      -2.3458      2.00000
     67      -2.2909      2.00000
     68      -2.0979      2.00000
     69      -1.9241      2.00000
     70      -1.5286      2.00000
     71      -1.4981      2.00000
     72      -1.1980      2.00000
     73      -1.1468      2.00000
     74      -1.0719      2.00000
     75      -0.8876      2.00000
     76      -0.8763      2.00000
     77      -0.8033      2.00000
     78      -0.7698      2.00000
     79      -0.6000      2.00000
     80      -0.4253      2.00000
     81      -0.3496      2.00000
     82      -0.2672      2.00000
     83      -0.1059      2.00000
     84       0.7167      2.00976
     85       1.0551      1.68508
     86       1.7699     -0.00009
     87       1.9967     -0.00000
     88       2.6846     -0.00000
     89       2.7920     -0.00000
     90       3.3900     -0.00000
     91       3.8744     -0.00000
     92       4.1524     -0.00000
     93       5.2599     -0.00000
     94       5.4170     -0.00000
     95       5.7120     -0.00000
     96       6.2868     -0.00000
     97       6.5638      0.00000
     98       6.7356      0.00000
     99       7.0693      0.00000
    100       7.2180      0.00000
    101       7.4371      0.00000
    102       7.4709      0.00000

 k-point    35 :       0.4000    0.4000    0.3333
  band No.  band energies     occupation 
      1     -28.6597      2.00000
      2     -21.3336      2.00000
      3     -21.2572      2.00000
      4     -21.2384      2.00000
      5     -21.1480      2.00000
      6     -21.0335      2.00000
      7     -21.0000      2.00000
      8     -20.8822      2.00000
      9     -20.8291      2.00000
     10     -20.7996      2.00000
     11     -20.7808      2.00000
     12     -20.7507      2.00000
     13     -20.6508      2.00000
     14     -20.6447      2.00000
     15     -20.6208      2.00000
     16     -20.5833      2.00000
     17     -20.5716      2.00000
     18     -20.5666      2.00000
     19     -20.5324      2.00000
     20     -20.4808      2.00000
     21     -20.4455      2.00000
     22     -20.4206      2.00000
     23     -20.3920      2.00000
     24     -20.3820      2.00000
     25     -20.3646      2.00000
     26     -20.2890      2.00000
     27     -20.2828      2.00000
     28     -20.2555      2.00000
     29     -20.2164      2.00000
     30     -20.2078      2.00000
     31     -20.1798      2.00000
     32     -18.0130      2.00000
     33     -17.7454      2.00000
     34     -17.6006      2.00000
     35     -17.2801      2.00000
     36     -16.9463      2.00000
     37     -16.8540      2.00000
     38     -16.2096      2.00000
     39     -16.0838      2.00000
     40     -15.9301      2.00000
     41     -15.8865      2.00000
     42     -15.6449      2.00000
     43     -15.4884      2.00000
     44     -13.7167      2.00000
     45      -9.5095      2.00000
     46      -7.9944      2.00000
     47      -7.7115      2.00000
     48      -7.2075      2.00000
     49      -7.1694      2.00000
     50      -6.8992      2.00000
     51      -6.6510      2.00000
     52      -5.8315      2.00000
     53      -5.3031      2.00000
     54      -5.0317      2.00000
     55      -4.4629      2.00000
     56      -4.2905      2.00000
     57      -4.1769      2.00000
     58      -3.6976      2.00000
     59      -3.6114      2.00000
     60      -3.3468      2.00000
     61      -3.3016      2.00000
     62      -3.1694      2.00000
     63      -3.0051      2.00000
     64      -2.5901      2.00000
     65      -2.5581      2.00000
     66      -2.3459      2.00000
     67      -2.3158      2.00000
     68      -2.2487      2.00000
     69      -1.9597      2.00000
     70      -1.4079      2.00000
     71      -1.3518      2.00000
     72      -1.1991      2.00000
     73      -1.0747      2.00000
     74      -1.0364      2.00000
     75      -1.0142      2.00000
     76      -0.9452      2.00000
     77      -0.7689      2.00000
     78      -0.5844      2.00000
     79      -0.5082      2.00000
     80      -0.4924      2.00000
     81      -0.2019      2.00000
     82      -0.1662      2.00000
     83       0.0679      2.00000
     84       0.6890      2.00578
     85       1.0583      1.66620
     86       1.7478     -0.00018
     87       1.8447     -0.00001
     88       2.3012     -0.00000
     89       2.5460     -0.00000
     90       3.1603     -0.00000
     91       3.8405     -0.00000
     92       3.9603     -0.00000
     93       5.2652     -0.00000
     94       5.5974     -0.00000
     95       5.9445     -0.00000
     96       6.4743      0.00000
     97       6.7743      0.00000
     98       7.1152      0.00000
     99       7.1771      0.00000
    100       7.3481      0.00000
    101       7.5397      0.00000
    102       7.8583      0.00000

 k-point    36 :      -0.4000    0.4000    0.3333
  band No.  band energies     occupation 
      1     -28.6597      2.00000
      2     -21.2942      2.00000
      3     -21.2670      2.00000
      4     -21.2118      2.00000
      5     -21.2076      2.00000
      6     -21.0851      2.00000
      7     -20.9348      2.00000
      8     -20.9286      2.00000
      9     -20.8410      2.00000
     10     -20.7894      2.00000
     11     -20.7597      2.00000
     12     -20.7588      2.00000
     13     -20.6453      2.00000
     14     -20.6303      2.00000
     15     -20.6032      2.00000
     16     -20.5721      2.00000
     17     -20.5687      2.00000
     18     -20.5505      2.00000
     19     -20.5332      2.00000
     20     -20.4804      2.00000
     21     -20.4608      2.00000
     22     -20.4476      2.00000
     23     -20.3896      2.00000
     24     -20.3830      2.00000
     25     -20.3633      2.00000
     26     -20.2886      2.00000
     27     -20.2768      2.00000
     28     -20.2616      2.00000
     29     -20.2139      2.00000
     30     -20.2095      2.00000
     31     -20.1807      2.00000
     32     -17.9817      2.00000
     33     -17.8252      2.00000
     34     -17.4875      2.00000
     35     -17.3915      2.00000
     36     -17.0069      2.00000
     37     -16.7406      2.00000
     38     -16.2870      2.00000
     39     -16.0215      2.00000
     40     -15.9591      2.00000
     41     -15.7131      2.00000
     42     -15.6848      2.00000
     43     -15.5851      2.00000
     44     -13.7180      2.00000
     45      -9.5101      2.00000
     46      -8.0211      2.00000
     47      -7.7011      2.00000
     48      -7.3050      2.00000
     49      -7.0756      2.00000
     50      -6.8719      2.00000
     51      -6.6542      2.00000
     52      -5.7677      2.00000
     53      -5.3355      2.00000
     54      -4.9897      2.00000
     55      -4.5392      2.00000
     56      -4.2751      2.00000
     57      -4.2016      2.00000
     58      -3.7529      2.00000
     59      -3.5553      2.00000
     60      -3.3738      2.00000
     61      -3.2898      2.00000
     62      -3.1547      2.00000
     63      -3.0201      2.00000
     64      -2.7705      2.00000
     65      -2.4476      2.00000
     66      -2.3791      2.00000
     67      -2.2471      2.00000
     68      -2.1786      2.00000
     69      -2.0166      2.00000
     70      -1.3966      2.00000
     71      -1.2946      2.00000
     72      -1.2065      2.00000
     73      -1.1247      2.00000
     74      -1.0946      2.00000
     75      -0.9385      2.00000
     76      -0.9244      2.00000
     77      -0.7289      2.00000
     78      -0.6135      2.00000
     79      -0.5307      2.00000
     80      -0.4986      2.00000
     81      -0.1915      2.00000
     82      -0.1356      2.00000
     83       0.0355      2.00000
     84       0.6693      2.00387
     85       1.0868      1.47379
     86       1.7944     -0.00004
     87       1.9757     -0.00000
     88       2.0905     -0.00000
     89       2.7418     -0.00000
     90       3.0086     -0.00000
     91       3.6540     -0.00000
     92       4.1352     -0.00000
     93       5.3711     -0.00000
     94       5.5650     -0.00000
     95       5.8826     -0.00000
     96       6.5179      0.00000
     97       6.7095      0.00000
     98       7.0363      0.00000
     99       7.1844      0.00000
    100       7.3359      0.00000
    101       7.5323      0.00000
    102       7.8792      0.00000

 k-point    37 :      -0.4000   -0.4000    0.3333
  band No.  band energies     occupation 
      1     -28.6596      2.00000
      2     -21.3336      2.00000
      3     -21.2572      2.00000
      4     -21.2384      2.00000
      5     -21.1480      2.00000
      6     -21.0335      2.00000
      7     -21.0000      2.00000
      8     -20.8822      2.00000
      9     -20.8291      2.00000
     10     -20.7996      2.00000
     11     -20.7808      2.00000
     12     -20.7507      2.00000
     13     -20.6508      2.00000
     14     -20.6447      2.00000
     15     -20.6208      2.00000
     16     -20.5833      2.00000
     17     -20.5716      2.00000
     18     -20.5666      2.00000
     19     -20.5324      2.00000
     20     -20.4808      2.00000
     21     -20.4455      2.00000
     22     -20.4206      2.00000
     23     -20.3920      2.00000
     24     -20.3820      2.00000
     25     -20.3646      2.00000
     26     -20.2890      2.00000
     27     -20.2828      2.00000
     28     -20.2555      2.00000
     29     -20.2164      2.00000
     30     -20.2078      2.00000
     31     -20.1798      2.00000
     32     -18.0130      2.00000
     33     -17.7455      2.00000
     34     -17.6007      2.00000
     35     -17.2801      2.00000
     36     -16.9463      2.00000
     37     -16.8540      2.00000
     38     -16.2096      2.00000
     39     -16.0838      2.00000
     40     -15.9301      2.00000
     41     -15.8865      2.00000
     42     -15.6449      2.00000
     43     -15.4884      2.00000
     44     -13.7166      2.00000
     45      -9.5096      2.00000
     46      -7.9944      2.00000
     47      -7.7114      2.00000
     48      -7.2075      2.00000
     49      -7.1694      2.00000
     50      -6.8992      2.00000
     51      -6.6511      2.00000
     52      -5.8315      2.00000
     53      -5.3031      2.00000
     54      -5.0318      2.00000
     55      -4.4630      2.00000
     56      -4.2904      2.00000
     57      -4.1769      2.00000
     58      -3.6976      2.00000
     59      -3.6114      2.00000
     60      -3.3469      2.00000
     61      -3.3016      2.00000
     62      -3.1693      2.00000
     63      -3.0050      2.00000
     64      -2.5901      2.00000
     65      -2.5583      2.00000
     66      -2.3460      2.00000
     67      -2.3157      2.00000
     68      -2.2487      2.00000
     69      -1.9596      2.00000
     70      -1.4079      2.00000
     71      -1.3519      2.00000
     72      -1.1990      2.00000
     73      -1.0746      2.00000
     74      -1.0365      2.00000
     75      -1.0142      2.00000
     76      -0.9452      2.00000
     77      -0.7689      2.00000
     78      -0.5845      2.00000
     79      -0.5081      2.00000
     80      -0.4922      2.00000
     81      -0.2018      2.00000
     82      -0.1662      2.00000
     83       0.0679      2.00000
     84       0.6890      2.00579
     85       1.0586      1.66422
     86       1.7478     -0.00018
     87       1.8448     -0.00001
     88       2.3012     -0.00000
     89       2.5460     -0.00000
     90       3.1603     -0.00000
     91       3.8405     -0.00000
     92       3.9603     -0.00000
     93       5.2651     -0.00000
     94       5.5974     -0.00000
     95       5.9446     -0.00000
     96       6.4754      0.00000
     97       6.7731      0.00000
     98       7.1124      0.00000
     99       7.1641      0.00000
    100       7.3823      0.00000
    101       7.5199      0.00000
    102       7.8599      0.00000

 k-point    38 :       0.4000   -0.4000    0.3333
  band No.  band energies     occupation 
      1     -28.6597      2.00000
      2     -21.2942      2.00000
      3     -21.2670      2.00000
      4     -21.2119      2.00000
      5     -21.2076      2.00000
      6     -21.0851      2.00000
      7     -20.9348      2.00000
      8     -20.9286      2.00000
      9     -20.8410      2.00000
     10     -20.7894      2.00000
     11     -20.7597      2.00000
     12     -20.7588      2.00000
     13     -20.6453      2.00000
     14     -20.6303      2.00000
     15     -20.6032      2.00000
     16     -20.5721      2.00000
     17     -20.5687      2.00000
     18     -20.5505      2.00000
     19     -20.5332      2.00000
     20     -20.4804      2.00000
     21     -20.4608      2.00000
     22     -20.4476      2.00000
     23     -20.3896      2.00000
     24     -20.3830      2.00000
     25     -20.3633      2.00000
     26     -20.2886      2.00000
     27     -20.2768      2.00000
     28     -20.2616      2.00000
     29     -20.2139      2.00000
     30     -20.2095      2.00000
     31     -20.1807      2.00000
     32     -17.9816      2.00000
     33     -17.8252      2.00000
     34     -17.4875      2.00000
     35     -17.3914      2.00000
     36     -17.0069      2.00000
     37     -16.7406      2.00000
     38     -16.2870      2.00000
     39     -16.0215      2.00000
     40     -15.9591      2.00000
     41     -15.7131      2.00000
     42     -15.6848      2.00000
     43     -15.5851      2.00000
     44     -13.7181      2.00000
     45      -9.5101      2.00000
     46      -8.0211      2.00000
     47      -7.7011      2.00000
     48      -7.3051      2.00000
     49      -7.0756      2.00000
     50      -6.8719      2.00000
     51      -6.6541      2.00000
     52      -5.7677      2.00000
     53      -5.3356      2.00000
     54      -4.9897      2.00000
     55      -4.5392      2.00000
     56      -4.2751      2.00000
     57      -4.2016      2.00000
     58      -3.7529      2.00000
     59      -3.5553      2.00000
     60      -3.3740      2.00000
     61      -3.2898      2.00000
     62      -3.1547      2.00000
     63      -3.0201      2.00000
     64      -2.7704      2.00000
     65      -2.4477      2.00000
     66      -2.3792      2.00000
     67      -2.2470      2.00000
     68      -2.1784      2.00000
     69      -2.0165      2.00000
     70      -1.3966      2.00000
     71      -1.2946      2.00000
     72      -1.2068      2.00000
     73      -1.1246      2.00000
     74      -1.0946      2.00000
     75      -0.9385      2.00000
     76      -0.9244      2.00000
     77      -0.7287      2.00000
     78      -0.6134      2.00000
     79      -0.5307      2.00000
     80      -0.4986      2.00000
     81      -0.1915      2.00000
     82      -0.1356      2.00000
     83       0.0355      2.00000
     84       0.6691      2.00386
     85       1.0869      1.47312
     86       1.7943     -0.00004
     87       1.9757     -0.00000
     88       2.0903     -0.00000
     89       2.7419     -0.00000
     90       3.0086     -0.00000
     91       3.6540     -0.00000
     92       4.1352     -0.00000
     93       5.3710     -0.00000
     94       5.5651     -0.00000
     95       5.8834     -0.00000
     96       6.5183      0.00000
     97       6.7030      0.00000
     98       7.0602      0.00000
     99       7.1607      0.00000
    100       7.3513      0.00000
    101       7.5125      0.00000
    102       7.8946      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
-21.210  -0.002   0.122  -0.020  -0.000   5.486   0.001  -0.058
 -0.002 -21.266  -0.012  -0.080   0.021   0.001   5.512   0.006
  0.122  -0.012 -21.272  -0.004  -0.003  -0.058   0.006   5.515
 -0.020  -0.080  -0.004 -21.259  -0.002   0.010   0.039   0.002
 -0.000   0.021  -0.003  -0.002 -21.221   0.000  -0.010   0.001
  5.486   0.001  -0.058   0.010   0.000   3.327  -0.001   0.023
  0.001   5.512   0.006   0.039  -0.010  -0.001   3.316  -0.002
 -0.058   0.006   5.515   0.002   0.001   0.023  -0.002   3.315
  0.010   0.039   0.002   5.509   0.001  -0.004  -0.018  -0.001
  0.000  -0.010   0.001   0.001   5.491   0.000   0.004  -0.001
 -0.006  -0.001  -0.002  -0.000   0.000   0.012   0.004   0.004
  0.019   0.004   0.007   0.001  -0.000  -0.022  -0.007  -0.007
  0.004  -0.010   0.007   0.000   0.012  -0.000   0.001  -0.001
  0.000  -0.012  -0.012   0.004  -0.000  -0.001  -0.000   0.007
 -0.012   0.000  -0.002  -0.011   0.004   0.001  -0.001   0.001
  0.006  -0.016   0.010   0.001   0.018  -0.000   0.000  -0.001
  0.001  -0.018  -0.020   0.007  -0.000  -0.002  -0.001   0.011
 -0.018   0.001  -0.004  -0.016   0.007   0.000  -0.002   0.001
 total augmentation occupancy for first ion, spin component:           1
  2.001  -0.000   0.001   0.000   0.000   0.021  -0.001   0.012   0.000   0.000  -0.006  -0.016  -0.060   0.053   0.095   0.035
 -0.000   2.000  -0.000   0.000  -0.000  -0.001   0.007  -0.001   0.003   0.000  -0.002  -0.002   0.108   0.070   0.053  -0.071
  0.001  -0.000   2.001   0.000   0.000   0.012  -0.001   0.011  -0.001   0.000  -0.003  -0.003  -0.066   0.074   0.028   0.041
  0.000   0.000   0.000   2.000  -0.000   0.000   0.003  -0.001   0.007  -0.000  -0.001  -0.001   0.053  -0.028   0.101  -0.034
  0.000  -0.000   0.000  -0.000   1.999   0.000   0.000   0.000  -0.000   0.002  -0.000   0.000  -0.088  -0.004  -0.015   0.056
  0.021  -0.001   0.012   0.000   0.000   0.167  -0.006   0.106  -0.001   0.001  -0.124  -0.012  -0.060   0.217   0.035   0.023
 -0.001   0.007  -0.001   0.003   0.000  -0.006   0.092   0.002   0.025   0.004  -0.019   0.003   0.166  -0.061   0.177  -0.051
  0.012  -0.001   0.011  -0.001   0.000   0.106   0.002   0.136  -0.013   0.001  -0.037   0.004  -0.083   0.057   0.031   0.032
  0.000   0.003  -0.001   0.007  -0.000  -0.001   0.025  -0.013   0.093   0.002  -0.009  -0.001   0.176   0.022   0.163  -0.063
  0.000   0.000   0.000  -0.000   0.002   0.001   0.004   0.001   0.002   0.066   0.000  -0.001  -0.034  -0.001   0.042   0.009
 -0.006  -0.002  -0.003  -0.001  -0.000  -0.124  -0.019  -0.037  -0.009   0.000   1.622   0.086   0.150   0.272  -0.076  -0.058
 -0.016  -0.002  -0.003  -0.001   0.000  -0.012   0.003   0.004  -0.001  -0.001   0.086   0.016  -0.006   0.048   0.003   0.000
 -0.060   0.108  -0.066   0.053  -0.088  -0.060   0.166  -0.083   0.176  -0.034   0.150  -0.006   3.716  -0.044  -1.289  -1.259
  0.053   0.070   0.074  -0.028  -0.004   0.217  -0.061   0.057   0.022  -0.001   0.272   0.048  -0.044   3.542  -0.102  -0.012
  0.095   0.053   0.028   0.101  -0.015   0.035   0.177   0.031   0.163   0.042  -0.076   0.003  -1.289  -0.102   3.678   0.510
  0.035  -0.071   0.041  -0.034   0.056   0.023  -0.051   0.032  -0.063   0.009  -0.058   0.000  -1.259  -0.012   0.510   0.454
 -0.035  -0.044  -0.044   0.017   0.002  -0.071   0.036  -0.013  -0.012  -0.002  -0.150  -0.015  -0.014  -1.254   0.049   0.013
 -0.059  -0.034  -0.017  -0.066   0.010  -0.009  -0.064  -0.010  -0.055  -0.017   0.026  -0.000   0.509   0.047  -1.235  -0.205


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



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   296.66434   296.66434   296.66434
  Ewald   14406.82790 14397.89787-21777.19001   -26.25519   -57.24549  -101.35385
  Hartree 19550.62285 19545.42069-15692.38694   -15.41691   -24.67356   -39.13202
  E(xc)    -852.59779  -852.62891  -850.88965    -0.04827    -0.22618    -0.20472
  Local  -37064.10442-37049.83302 34472.21119    43.08499    75.28232   125.73919
  n-local    20.84131    21.12756     6.68762     0.69351    -0.48516    -2.73191
  augment  1192.47178  1192.39825  1189.21548    -0.29614     0.37954     1.49792
  Kinetic  2439.47965  2438.22810  2363.58950    -2.65322     8.42932    14.77076
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       -9.7943904    -10.7251364      7.9015177     -0.8912213      1.4607820     -1.4146157
  in kB      -33.8480360    -37.0645633     27.3065340     -3.0799354      5.0482570     -4.8887129
  external PRESSURE =     -14.5353551 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :      463.61
      direct lattice vectors                 reciprocal lattice vectors
     4.737270000  0.000000000  0.000000000     0.211092042  0.000000000  0.000000000
     0.000000000  4.737270000  0.000000000     0.000000000  0.211092042  0.000000000
     0.000000000  0.000000000 20.658474290     0.000000000  0.000000000  0.048406285

  length of vectors
     4.737270000  4.737270000 20.658474290     0.211092042  0.211092042  0.048406285


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.374E+02 -.324E+02 -.353E+02   -.402E+02 0.393E+02 0.395E+02   0.266E+01 -.588E+01 -.378E+01   -.774E-03 0.490E-03 0.737E-02
   -.160E+02 0.489E+01 -.250E+04   0.160E+02 -.459E+01 0.250E+04   -.170E-01 -.179E+00 0.345E+01   0.429E-04 0.874E-04 0.210E-02
   0.123E+02 -.367E+00 -.132E+04   -.102E+02 -.247E+01 0.132E+04   -.180E+01 0.230E+01 -.326E+00   -.319E-04 -.799E-04 0.191E-02
   0.285E+01 0.792E+01 0.131E+04   -.521E+01 -.106E+02 -.132E+04   0.137E+01 0.160E+01 0.528E+00   0.515E-03 0.488E-03 -.408E-02
   -.542E+01 -.616E+01 0.250E+04   0.570E+01 0.666E+01 -.250E+04   -.121E+00 -.327E+00 -.302E+01   -.192E-03 -.130E-03 -.312E-02
   -.608E+01 -.549E+02 0.621E+02   0.889E+01 0.622E+02 -.677E+02   -.160E+01 -.542E+01 0.542E+01   -.817E-03 0.233E-03 -.104E-01
   -.445E+02 -.502E+02 -.499E+03   0.443E+02 0.516E+02 0.496E+03   0.140E+00 -.149E+01 0.286E+01   0.160E-03 0.110E-03 0.188E-02
   0.759E+02 -.824E+02 0.915E+02   -.860E+02 0.944E+02 -.105E+03   0.978E+01 -.117E+02 0.140E+02   -.422E-03 0.402E-03 0.244E-02
   0.695E+02 -.685E+02 -.115E+04   -.814E+02 0.803E+02 0.116E+04   0.118E+02 -.117E+02 -.171E+02   0.424E-03 -.418E-03 0.699E-03
   -.657E+02 0.683E+02 -.113E+04   0.775E+02 -.807E+02 0.115E+04   -.118E+02 0.122E+02 -.165E+02   -.389E-03 0.389E-03 0.657E-03
   -.915E+02 0.794E+02 -.116E+02   0.101E+03 -.833E+02 0.244E+02   -.958E+01 0.362E+01 -.167E+02   0.548E-03 -.739E-03 0.243E-02
   0.505E+02 0.442E+02 -.531E+03   -.526E+02 -.443E+02 0.531E+03   0.215E+01 0.859E-01 -.740E-01   -.987E-04 -.138E-03 0.174E-02
   -.446E+02 0.488E+02 0.523E+03   0.454E+02 -.500E+02 -.523E+03   -.978E+00 0.119E+01 -.492E+00   0.260E-03 -.332E-03 -.239E-02
   0.715E+02 0.709E+02 0.114E+04   -.837E+02 -.830E+02 -.116E+04   0.121E+02 0.120E+02 0.168E+02   0.320E-03 0.316E-03 -.358E-03
   0.901E+02 0.786E+02 -.440E+02   -.981E+02 -.821E+02 0.447E+02   0.673E+01 0.173E+01 0.251E+01   -.622E-03 -.967E-03 -.323E-02
   0.470E+02 -.472E+02 0.515E+03   -.475E+02 0.482E+02 -.513E+03   0.462E+00 -.131E+01 -.152E+01   -.379E-03 0.238E-03 -.241E-02
   -.768E+02 -.732E+02 -.583E+02   0.864E+02 0.834E+02 0.683E+02   -.950E+01 -.102E+02 -.983E+01   0.527E-03 0.472E-03 -.388E-02
   -.692E+02 -.680E+02 0.113E+04   0.814E+02 0.801E+02 -.115E+04   -.122E+02 -.120E+02 0.159E+02   -.253E-03 -.258E-03 -.701E-03
   -.822E+02 0.617E+00 0.115E+03   0.104E+03 -.340E+01 -.185E+03   -.170E+02 0.484E+01 0.467E+02   0.253E-05 0.205E-04 -.523E-02
   0.627E+02 0.350E+02 -.128E+03   -.778E+02 -.503E+02 0.199E+03   0.108E+02 0.122E+02 -.473E+02   -.484E-03 -.128E-03 0.182E-02
   -.263E+02 0.312E+02 0.593E+02   0.264E+02 -.313E+02 -.587E+02   -.104E+00 0.468E+00 0.335E+01   0.251E-03 -.271E-03 0.326E-03
   0.149E+02 0.210E+02 -.456E+02   -.146E+02 -.202E+02 0.427E+02   0.298E+00 0.489E+00 -.108E+01   -.998E-04 -.103E-03 -.765E-03
 -----------------------------------------------------------------------------------------------
   0.642E+01 0.743E+01 0.620E+01   -.426E-13 -.103E-12 -.924E-13   -.642E+01 -.741E+01 -.615E+01   -.151E-02 -.318E-03 -.132E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      2.04248      2.55765      6.84756        -0.091521      1.025832      0.467478
      2.18611      2.51827      9.99650         0.024259      0.118005      0.111239
      4.56297      0.11001      8.55544         0.315410     -0.537208      0.462412
      0.24933      0.27299     20.61383        -0.986124     -1.044547     -0.764382
      2.60488      2.63557     19.15501         0.153241      0.173259     -0.255162
      2.56287      2.57469      1.64256         1.210626      1.879620     -0.237077
      3.08024      3.49067      8.42079        -0.077757     -0.111833     -0.011516
      0.72053      4.00819      6.78560        -0.365832      0.315512      0.085246
      0.79400      3.88733     10.28190        -0.077222      0.058550     -0.210317
      3.54739      1.12034     10.24133         0.098882     -0.106077     -0.283255
      3.55339      1.18661      6.83846        -0.196744     -0.270671     -3.794834
      1.17460      1.60212      8.46308         0.028767     -0.010003     -0.254879
      3.52711      1.65246      0.04775        -0.263280      0.024267      0.325151
      1.22496      1.25712     18.87225        -0.118526     -0.120221      0.461837
      1.13317      1.19973      1.69763        -1.222296     -1.831056      3.206520
      1.64368      3.56638      0.05098        -0.032226     -0.270180      0.196473
      3.97845      4.00002      1.68447         0.120641      0.043127      0.202218
      3.99143      4.00994     18.90482         0.027964      0.020868      0.113259
      2.62658      2.11900      3.69021         5.256474      2.061298    -23.331468
      2.40134      2.04288      4.76470        -4.333823     -3.036189     23.592716
      3.52285      1.07419      5.64003        -0.037502      0.297736      3.953634
      0.81028      0.58044      3.07630         0.566590      1.319914     -4.035290
 -----------------------------------------------------------------------------------
    total drift:                               -0.002220      0.017324      0.035985


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -115.2352656554 eV

  energy  without entropy=     -115.2083502781  energy(sigma->0) =     -115.22629386
 


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




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



volume of typ            1:    15.2 %

volume of typ            2:     4.9 %

volume of typ            3:     0.1 %
 
total charge     
 
# of ion       s       p       d       tot
------------------------------------------
    1        0.869   0.835  10.135  11.840
    2        0.898   0.872  10.107  11.876
    3        0.795   0.788  10.138  11.720
    4        0.799   0.790  10.137  11.726
    5        0.899   0.873  10.107  11.879
    6        0.848   0.840  10.148  11.836
    7        1.261   2.862   0.003   4.127
    8        1.276   2.775   0.003   4.054
    9        1.281   2.747   0.003   4.032
   10        1.281   2.748   0.003   4.032
   11        1.264   2.807   0.005   4.076
   12        1.261   2.868   0.003   4.132
   13        1.263   2.864   0.003   4.130
   14        1.283   2.741   0.003   4.028
   15        1.280   2.758   0.003   4.041
   16        1.263   2.863   0.003   4.129
   17        1.275   2.755   0.003   4.033
   18        1.280   2.749   0.003   4.032
   19        1.255   3.006   0.066   4.327
   20        1.259   2.985   0.068   4.312
   21        0.106   0.002   0.000   0.109
   22        0.082   0.000   0.000   0.082
--------------------------------------------------
tot          23.08   44.53   60.95  128.55
 

 total amount of memory used by VASP MPI-rank0   329999. kBytes
=======================================================================

   base      :      30000. kBytes
   nonlr-proj:       3436. kBytes
   fftplans  :       8663. kBytes
   grid      :      18533. kBytes
   one-center:        342. kBytes
   wavefun   :     269025. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):     1019.137
                            User time (sec):      838.975
                          System time (sec):      180.162
                         Elapsed time (sec):     1022.195
  
                   Maximum memory used (kb):      935732.
                   Average memory used (kb):          N/A
  
                          Minor page faults:       398057
                          Major page faults:            0
                 Voluntary context switches:        54460