vasp.5.4.

1 24Jun15 (build Jun 1 2016 10:54:20) complex

executed on IFC91_ompi date 2018.07.31 13:03:02
running on 4 total cores
distrk: each k-point on 4 cores, 1 groups
distr: one band on NCORES_PER_BAND= 1 cores, 4 groups

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

INCAR:
POTCAR: PAW_PBE Ge 05Jan2001
POTCAR: PAW_PBE Ge 05Jan2001
VRHFIN =Ge: s2p2
LEXCH = PE
EATOM = 104.9960 eV, 7.7170 Ry

TITEL = PAW_PBE Ge 05Jan2001

LULTRA = F use ultrasoft PP ?
IUNSCR = 1 unscreen: 0-lin 1-nonlin 2-no
RPACOR = 2.170 partial core radius
POMASS = 72.610; ZVAL = 4.000 mass and valenz
RCORE = 2.300 outmost cutoff radius
RWIGS = 2.300; RWIGS = 1.217 wigner-seitz radius (au A)
ENMAX = 173.807; ENMIN = 130.355 eV
ICORE = 3 local potential
LCOR = T correct aug charges
LPAW = T paw PP
EAUG = 385.843
DEXC = 0.000
RMAX = 2.342 core radius for proj-oper
RAUG = 1.300 factor for augmentation sphere
RDEP = 2.318 radius for radial grids
RDEPT = 2.103 core radius for aug-charge

Atomic configuration
10 entries
n l j E occ.
1 0 0.50 -10959.8463 2.0000
2 0 0.50 -1371.6056 2.0000
2 1 1.50 -1198.4791 6.0000
3 0 0.50 -168.4733 2.0000
3 1 1.50 -115.6019 6.0000
3 2 2.50 -29.3106 10.0000
4 0 0.50 -11.7309 2.0000
4 1 0.50 -3.8952 2.0000
4 2 1.50 -4.0817 0.0000
4 3 2.50 -4.0817 0.0000
Description
l E TYP RCUT TYP RCUT
0 -11.7309493 23 2.300
0 -7.4578696 23 2.300
1 -3.8952261 23 2.300
1 6.1178114 23 2.300
2 -4.0817478 23 2.300
3 -1.3605826 7 2.300
local pseudopotential read in
partial core-charges read in
 partial kinetic energy density read in
atomic valenz-charges read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
non local Contribution for L= 2 read in
real space projection operators read in
PAW grid and wavefunctions read in

number of l-projection operators is LMAX = 5

number of lm-projection operators is LMMAX = 13

PAW_PBE Ge 05Jan2001 :
energy of atom 1 EATOM= -104.9960
kinetic energy error for atom= 0.0016 (will be added to EATOM!!)

POSCAR: Ge
positions in cartesian coordinates
No initial velocities read in
exchange correlation table for LEXCH = 8
RHO(1)= 0.500 N(1) = 2000
RHO(2)= 100.500 N(2) = 4000

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

ion position nearest neighbor table

1 0.750 0.750 0.750- 2 2.33 2 2.33 2 2.33 2 2.33
2 0.500 0.500 0.500- 1 2.33 1 2.33 1 2.33 1 2.33

LATTYP: Found a face centered cubic cell.

ALAT = 5.3746440000

Lattice vectors:

A1 = ( 0.0000000000, 2.6873220000, 2.6873220000)

A2 = ( 2.6873220000, 0.0000000000, 2.6873220000)
A3 = ( 2.6873220000, 2.6873220000, 0.0000000000)

Analysis of symmetry for initial positions (statically):

=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.

Routine SETGRP: Setting up the symmetry group for a

face centered cubic supercell.
 Subroutine GETGRP returns: Found 48 space group operations
(whereof 24 operations were pure point group operations)
out of a pool of 48 trial point group operations.

The static configuration has the point symmetry T_d .

The point group associated with its full space group is O_h .

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

face centered cubic supercell.

Subroutine GETGRP returns: Found 48 space group operations

(whereof 24 operations were pure point group operations)
out of a pool of 48 trial point group operations.

The dynamic configuration has the point symmetry T_d .

The point group associated with its full space group is O_h .

Analysis of structural, dynamic, and magnetic symmetry:

=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.

Routine SETGRP: Setting up the symmetry group for a

face centered cubic supercell.

Subroutine GETGRP returns: Found 48 space group operations

(whereof 24 operations were pure point group operations)
out of a pool of 48 trial point group operations.

The magnetic configuration has the point symmetry T_d .

The point group associated with its full space group is O_h .

Subroutine INISYM returns: Found 48 space group operations

(whereof 24 operations are pure point group operations),
and found 1 'primitive' translations

KPOINTS: \Gamma -> L -> W -> X -> \Gamma

k-points in reciprocal lattice
Space group operators:
irot det(A) alpha n_x n_y n_z tau_x
tau_y tau_z
 1 1.000000 0.000000 1.000000 0.000000 0.000000 0.000000
0.000000 0.000000
2 1.000000 120.000000 -0.577350 -0.577350 -0.577350 0.000000
0.000000 0.000000
3 1.000000 120.000000 0.577350 0.577350 0.577350 0.000000
0.000000 0.000000
4 -1.000000 90.000000 0.000000 0.000000 -1.000000 0.000000
0.000000 0.000000
5 -1.000000 180.000000 0.000000 0.707107 0.707107 0.000000
0.000000 0.000000
6 -1.000000 90.000000 0.000000 1.000000 0.000000 0.000000
0.000000 0.000000
7 1.000000 180.000000 0.000000 0.000000 1.000000 0.000000
0.000000 0.000000
8 1.000000 120.000000 -0.577350 0.577350 0.577350 0.000000
0.000000 0.000000
9 1.000000 120.000000 -0.577350 0.577350 -0.577350 0.000000
0.000000 0.000000
10 -1.000000 90.000000 0.000000 0.000000 1.000000 0.000000
0.000000 0.000000
11 -1.000000 90.000000 -1.000000 0.000000 0.000000 0.000000
0.000000 0.000000
12 -1.000000 180.000000 0.707107 0.000000 0.707107 0.000000
0.000000 0.000000
13 1.000000 120.000000 0.577350 -0.577350 0.577350 0.000000
0.000000 0.000000
14 1.000000 120.000000 -0.577350 -0.577350 0.577350 0.000000
0.000000 0.000000
15 1.000000 180.000000 1.000000 0.000000 0.000000 0.000000
0.000000 0.000000
16 -1.000000 90.000000 0.000000 -1.000000 0.000000 0.000000
0.000000 0.000000
17 -1.000000 180.000000 0.707107 0.707107 0.000000 0.000000
0.000000 0.000000
18 -1.000000 90.000000 1.000000 0.000000 0.000000 0.000000
0.000000 0.000000
19 1.000000 120.000000 0.577350 -0.577350 -0.577350 0.000000
0.000000 0.000000
20 1.000000 180.000000 0.000000 1.000000 0.000000 0.000000
0.000000 0.000000
21 1.000000 120.000000 0.577350 0.577350 -0.577350 0.000000
0.000000 0.000000
22 -1.000000 180.000000 0.000000 -0.707107 0.707107 0.000000
0.000000 0.000000
23 -1.000000 180.000000 0.707107 -0.707107 0.000000 0.000000
0.000000 0.000000
24 -1.000000 180.000000 0.707107 0.000000 -0.707107 0.000000
0.000000 0.000000
25 -1.000000 0.000000 1.000000 0.000000 0.000000 0.250000
0.250000 0.250000
26 -1.000000 120.000000 -0.577350 -0.577350 -0.577350 0.250000
0.250000 0.250000
27 -1.000000 120.000000 0.577350 0.577350 0.577350 0.250000
0.250000 0.250000
28 1.000000 90.000000 0.000000 0.000000 -1.000000 0.250000
0.250000 0.250000
29 1.000000 180.000000 0.000000 0.707107 0.707107 0.250000
0.250000 0.250000
 30 1.000000 90.000000 0.000000 1.000000 0.000000 0.250000
0.250000 0.250000
31 -1.000000 180.000000 0.000000 0.000000 1.000000 0.250000
0.250000 0.250000
32 -1.000000 120.000000 -0.577350 0.577350 0.577350 0.250000
0.250000 0.250000
33 -1.000000 120.000000 -0.577350 0.577350 -0.577350 0.250000
0.250000 0.250000
34 1.000000 90.000000 0.000000 0.000000 1.000000 0.250000
0.250000 0.250000
35 1.000000 90.000000 -1.000000 0.000000 0.000000 0.250000
0.250000 0.250000
36 1.000000 180.000000 0.707107 0.000000 0.707107 0.250000
0.250000 0.250000
37 -1.000000 120.000000 0.577350 -0.577350 0.577350 0.250000
0.250000 0.250000
38 -1.000000 120.000000 -0.577350 -0.577350 0.577350 0.250000
0.250000 0.250000
39 -1.000000 180.000000 1.000000 0.000000 0.000000 0.250000
0.250000 0.250000
40 1.000000 90.000000 0.000000 -1.000000 0.000000 0.250000
0.250000 0.250000
41 1.000000 180.000000 0.707107 0.707107 0.000000 0.250000
0.250000 0.250000
42 1.000000 90.000000 1.000000 0.000000 0.000000 0.250000
0.250000 0.250000
43 -1.000000 120.000000 0.577350 -0.577350 -0.577350 0.250000
0.250000 0.250000
44 -1.000000 180.000000 0.000000 1.000000 0.000000 0.250000
0.250000 0.250000
45 -1.000000 120.000000 0.577350 0.577350 -0.577350 0.250000
0.250000 0.250000
46 1.000000 180.000000 0.000000 -0.707107 0.707107 0.250000
0.250000 0.250000
47 1.000000 180.000000 0.707107 -0.707107 0.000000 0.250000
0.250000 0.250000
48 1.000000 180.000000 0.707107 0.000000 -0.707107 0.250000
0.250000 0.250000

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

Dimension of arrays:
k-points NKPTS = 219 k-points in BZ NKDIM = 219 number
of bands NBANDS= 12
number of dos NEDOS = 301 number of ions NIONS = 2
non local maximal LDIM = 5 non local SUM 2l+1 LMDIM = 13
total plane-waves NPLWV = 5832
max r-space proj IRMAX = 1 max aug-charges IRDMAX= 5934
dimension x,y,z NGX = 18 NGY = 18 NGZ = 18
dimension x,y,z NGXF= 32 NGYF= 32 NGZF= 32
support grid NGXF= 32 NGYF= 32 NGZF= 32
ions per type = 2
NGX,Y,Z is equivalent to a cutoff of 7.87, 7.87, 7.87 a.u.
NGXF,Y,Z is equivalent to a cutoff of 14.00, 14.00, 14.00 a.u.
I would recommend the setting:
dimension x,y,z NGX = 18 NGY = 18 NGZ = 18
SYSTEM = unknown system
POSCAR = Ge

Startparameter for this run:

NWRITE = 2 write-flag & timer
PREC = high normal or accurate (medium, high low for compatibility)
ISTART = 0 job : 0-new 1-cont 2-samecut
ICHARG = 11 charge: 1-file 2-atom 10-const
ISPIN = 2 spin polarized calculation?
LNONCOLLINEAR = F non collinear calculations
LSORBIT = F spin-orbit coupling
INIWAV = 1 electr: 0-lowe 1-rand 2-diag
LASPH = F aspherical Exc in radial PAW
METAGGA= F non-selfconsistent MetaGGA calc.

Electronic Relaxation 1
ENCUT = 217.3 eV 15.97 Ry 4.00 a.u. 4.57 4.57 4.57*2*pi/ulx,y,z
ENINI = 217.3 initial cutoff
ENAUG = 385.8 eV augmentation charge cutoff
NELM = 60; NELMIN= 2; NELMDL= -5 # of ELM steps
EDIFF = 0.1E-05 stopping-criterion for ELM
LREAL = F real-space projection
NLSPLINE = F spline interpolate recip. space projectors
LCOMPAT= F compatible to vasp.4.4
GGA_COMPAT = T GGA compatible to vasp.4.4-vasp.4.6
LMAXPAW = -100 max onsite density
LMAXMIX = 2 max onsite mixed and CHGCAR
VOSKOWN= 0 Vosko Wilk Nusair interpolation
ROPT = 0.00000
Ionic relaxation
EDIFFG = 0.1E-04 stopping-criterion for IOM
NSW = 1 number of steps for IOM
NBLOCK = 1; KBLOCK = 1 inner block; outer block
IBRION = -1 ionic relax: 0-MD 1-quasi-New 2-CG
NFREE = 0 steps in history (QN), initial steepest desc. (CG)
ISIF = 2 stress and relaxation
IWAVPR = 10 prediction: 0-non 1-charg 2-wave 3-comb
ISYM = 2 0-nonsym 1-usesym 2-fastsym
LCORR = T Harris-Foulkes like correction to forces

POTIM = 0.5000 time-step for ionic-motion

TEIN = 0.0 initial temperature
TEBEG = 0.0; TEEND = 0.0 temperature during run
SMASS = -3.00 Nose mass-parameter (am)
estimated Nose-frequenzy (Omega) = 0.10E-29 period in steps =****** mass= -
0.330E-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 = 72.61
Ionic Valenz
ZVAL = 4.00
Atomic Wigner-Seitz radii
 RWIGS = -1.00
virtual crystal weights
VCA = 1.00
NELECT = 8.0000 total number of electrons
NUPDOWN= -1.0000 fix difference up-down

DOS related values:

EMIN = 10.00; EMAX =-10.00 energy-range for DOS
EFERMI = 0.00
ISMEAR = 0; SIGMA = 0.01 broadening in eV -4-tet -1-fermi 0-gaus

Electronic relaxation 2 (details)

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

Intra band minimization:

WEIMIN = 0.0000 energy-eigenvalue tresh-hold
EBREAK = 0.21E-07 absolut break condition
DEPER = 0.30 relativ break condition

TIME = 0.40 timestep for ELM

volume/ion in A,a.u. = 19.41 130.97

Fermi-wavevector in a.u.,A,eV,Ry = 0.967034 1.827429 12.723555 0.935155
Thomas-Fermi vector in A = 2.096886

Write flags
LWAVE = T write WAVECAR
LCHARG = T write CHGCAR
LVTOT = F write LOCPOT, total local potential
LVHAR = F write LOCPOT, Hartree potential only
LELF = F write electronic localiz. function (ELF)
LORBIT = 11 0 simple, 1 ext, 2 COOP (PROOUT)

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 = PE GGA type
LEXCH = 8 internal setting for exchange type
VOSKOWN= 0 Vosko Wilk Nusair interpolation
LHFCALC = F Hartree Fock is set to
LHFONE = F Hartree Fock one center treatment
AEXX = 0.0000 exact exchange contribution
 Linear response parameters
LEPSILON= F determine dielectric tensor
LRPA = F only Hartree local field effects (RPA)
LNABLA = F use nabla operator in PAW spheres
LVEL = F velocity operator in full k-point grid
LINTERFAST= F fast interpolation
KINTER = 0 interpolate to denser k-point grid
CSHIFT =0.1000 complex shift for real part using Kramers Kronig
OMEGAMAX= -1.0 maximum frequency
DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
RTIME = 0.100 relaxation time in fs

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

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

Static calculation
charge density and potential remain constant during run
spin polarized calculation
Variant of blocked Davidson
Davidson routine will perform the subspace rotation
perform sub-space diagonalisation
after iterative eigenvector-optimisation
no mixing
using additional bands 8
reciprocal scheme for non local part
use partial core corrections
calculate Harris-corrections to forces (improved forces if not selfconsistent)
use gradient corrections
WARNING: stress and forces are not correct
(second derivative of E(xc) not defined)
use of overlap-Matrix (Vanderbilt PP)
Gauss-broadening in eV SIGMA = 0.01

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

energy-cutoff : 217.26
volume of cell : 38.81
direct lattice vectors reciprocal lattice vectors
0.000000000 2.687322000 2.687322000 -0.186058835 0.186058835
0.186058835
2.687322000 0.000000000 2.687322000 0.186058835 -0.186058835
0.186058835
2.687322000 2.687322000 0.000000000 0.186058835 0.186058835 -
0.186058835

length of vectors
3.800447219 3.800447219 3.800447219 0.322263355 0.322263355
0.322263355

k-points in units of 2pi/SCALE and weight: \Gamma -> L -> W -> X -> \Gamma
0.00000000 0.00000000 0.00000000 0.005
0.00144882 0.00144882 0.00144882 0.005
0.00289764 0.00289764 0.00289764 0.005
0.00434646 0.00434646 0.00434646 0.005
0.00579528 0.00579528 0.00579528 0.005
0.00724409 0.00724409 0.00724409 0.005
0.00869291 0.00869291 0.00869291 0.005
0.01014173 0.01014173 0.01014173 0.005
0.01159055 0.01159055 0.01159055 0.005
0.01303937 0.01303937 0.01303937 0.005
0.01448819 0.01448819 0.01448819 0.005
0.01593701 0.01593701 0.01593701 0.005
0.01738583 0.01738583 0.01738583 0.005
0.01883464 0.01883464 0.01883464 0.005
0.02028346 0.02028346 0.02028346 0.005
0.02173228 0.02173228 0.02173228 0.005
0.02318110 0.02318110 0.02318110 0.005
0.02462992 0.02462992 0.02462992 0.005
0.02607874 0.02607874 0.02607874 0.005
0.02752756 0.02752756 0.02752756 0.005
0.02897638 0.02897638 0.02897638 0.005
0.03042519 0.03042519 0.03042519 0.005
0.03187401 0.03187401 0.03187401 0.005
0.03332283 0.03332283 0.03332283 0.005
0.03477165 0.03477165 0.03477165 0.005
0.03622047 0.03622047 0.03622047 0.005
0.03766929 0.03766929 0.03766929 0.005
0.03911811 0.03911811 0.03911811 0.005
0.04056693 0.04056693 0.04056693 0.005
0.04201575 0.04201575 0.04201575 0.005
0.04346456 0.04346456 0.04346456 0.005
0.04491338 0.04491338 0.04491338 0.005
0.04636220 0.04636220 0.04636220 0.005
0.04781102 0.04781102 0.04781102 0.005
0.04925984 0.04925984 0.04925984 0.005
0.05070866 0.05070866 0.05070866 0.005
0.05215748 0.05215748 0.05215748 0.005
0.05360630 0.05360630 0.05360630 0.005
0.05505511 0.05505511 0.05505511 0.005
0.05650393 0.05650393 0.05650393 0.005
0.05795275 0.05795275 0.05795275 0.005
0.05940157 0.05940157 0.05940157 0.005
0.06085039 0.06085039 0.06085039 0.005
0.06229921 0.06229921 0.06229921 0.005
0.06374803 0.06374803 0.06374803 0.005
0.06519685 0.06519685 0.06519685 0.005
0.06664566 0.06664566 0.06664566 0.005
0.06809448 0.06809448 0.06809448 0.005
0.06954330 0.06954330 0.06954330 0.005
0.07099212 0.07099212 0.07099212 0.005
0.07244094 0.07244094 0.07244094 0.005
0.07388976 0.07388976 0.07388976 0.005
0.07533858 0.07533858 0.07533858 0.005
0.07678740 0.07678740 0.07678740 0.005
0.07823621 0.07823621 0.07823621 0.005
0.07968503 0.07968503 0.07968503 0.005
0.08113385 0.08113385 0.08113385 0.005
0.08258267 0.08258267 0.08258267 0.005
0.08403149 0.08403149 0.08403149 0.005
0.08548031 0.08548031 0.08548031 0.005
0.08692913 0.08692913 0.08692913 0.005
0.08837795 0.08837795 0.08837795 0.005
0.08837795 0.09014551 0.08661039 0.005
0.08837795 0.09191306 0.08484283 0.005
0.08837795 0.09368062 0.08307527 0.005
0.08837795 0.09544818 0.08130771 0.005
0.08837795 0.09721574 0.07954015 0.005
0.08837795 0.09898330 0.07777259 0.005
0.08837795 0.10075086 0.07600503 0.005
0.08837795 0.10251842 0.07423748 0.005
0.08837795 0.10428598 0.07246992 0.005
0.08837795 0.10605354 0.07070236 0.005
0.08837795 0.10782109 0.06893480 0.005
0.08837795 0.10958865 0.06716724 0.005
0.08837795 0.11135621 0.06539968 0.005
0.08837795 0.11312377 0.06363212 0.005
0.08837795 0.11489133 0.06186456 0.005
0.08837795 0.11665889 0.06009700 0.005
0.08837795 0.11842645 0.05832944 0.005
0.08837795 0.12019401 0.05656189 0.005
0.08837795 0.12196157 0.05479433 0.005
0.08837795 0.12372913 0.05302677 0.005
0.08837795 0.12549668 0.05125921 0.005
0.08837795 0.12726424 0.04949165 0.005
0.08837795 0.12903180 0.04772409 0.005
0.08837795 0.13079936 0.04595653 0.005
0.08837795 0.13256692 0.04418897 0.005
0.08837795 0.13433448 0.04242141 0.005
0.08837795 0.13610204 0.04065386 0.005
0.08837795 0.13786960 0.03888630 0.005
0.08837795 0.13963716 0.03711874 0.005
0.08837795 0.14140471 0.03535118 0.005
0.08837795 0.14317227 0.03358362 0.005
0.08837795 0.14493983 0.03181606 0.005
0.08837795 0.14670739 0.03004850 0.005
0.08837795 0.14847495 0.02828094 0.005
0.08837795 0.15024251 0.02651338 0.005
0.08837795 0.15201007 0.02474583 0.005
0.08837795 0.15377763 0.02297827 0.005
0.08837795 0.15554519 0.02121071 0.005
0.08837795 0.15731274 0.01944315 0.005
0.08837795 0.15908030 0.01767559 0.005
0.08837795 0.16084786 0.01590803 0.005
0.08837795 0.16261542 0.01414047 0.005
0.08837795 0.16438298 0.01237291 0.005
0.08837795 0.16615054 0.01060535 0.005
0.08837795 0.16791810 0.00883779 0.005
0.08837795 0.16968566 0.00707024 0.005
0.08837795 0.17145322 0.00530268 0.005
0.08837795 0.17322078 0.00353512 0.005
0.08837795 0.17498833 0.00176756 0.005
0.08837795 0.17675589 0.00000000 0.005
0.08592300 0.17675589 0.00000000 0.005
0.08346806 0.17675589 0.00000000 0.005
0.08101312 0.17675589 0.00000000 0.005
0.07855817 0.17675589 0.00000000 0.005
0.07610323 0.17675589 0.00000000 0.005
0.07364829 0.17675589 0.00000000 0.005
0.07119335 0.17675589 0.00000000 0.005
0.06873840 0.17675589 0.00000000 0.005
0.06628346 0.17675589 0.00000000 0.005
0.06382852 0.17675589 0.00000000 0.005
0.06137357 0.17675589 0.00000000 0.005
0.05891863 0.17675589 0.00000000 0.005
0.05646369 0.17675589 0.00000000 0.005
0.05400875 0.17675589 0.00000000 0.005
0.05155380 0.17675589 0.00000000 0.005
0.04909886 0.17675589 0.00000000 0.005
0.04664392 0.17675589 0.00000000 0.005
0.04418897 0.17675589 0.00000000 0.005
0.04173403 0.17675589 0.00000000 0.005
0.03927909 0.17675589 -0.00000000 0.005
0.03682414 0.17675589 0.00000000 0.005
0.03436920 0.17675589 0.00000000 0.005
0.03191426 0.17675589 0.00000000 0.005
0.02945932 0.17675589 -0.00000000 0.005
0.02700437 0.17675589 0.00000000 0.005
0.02454943 0.17675589 0.00000000 0.005
0.02209449 0.17675589 0.00000000 0.005
0.01963954 0.17675589 -0.00000000 0.005
0.01718460 0.17675589 0.00000000 0.005
0.01472966 0.17675589 0.00000000 0.005
0.01227471 0.17675589 0.00000000 0.005
0.00981977 0.17675589 0.00000000 0.005
0.00736483 0.17675589 0.00000000 0.005
0.00490989 0.17675589 0.00000000 0.005
0.00245494 0.17675589 0.00000000 0.005
0.00000000 0.17675589 0.00000000 0.005
0.00000000 0.17426637 0.00000000 0.005
0.00000000 0.17177685 0.00000000 0.005
0.00000000 0.16928733 0.00000000 0.005
0.00000000 0.16679781 0.00000000 0.005
0.00000000 0.16430829 0.00000000 0.005
0.00000000 0.16181878 0.00000000 0.005
0.00000000 0.15932926 0.00000000 0.005
0.00000000 0.15683974 0.00000000 0.005
0.00000000 0.15435022 0.00000000 0.005
0.00000000 0.15186070 0.00000000 0.005
0.00000000 0.14937118 0.00000000 0.005
0.00000000 0.14688166 0.00000000 0.005
0.00000000 0.14439214 0.00000000 0.005
0.00000000 0.14190262 0.00000000 0.005
0.00000000 0.13941310 0.00000000 0.005
0.00000000 0.13692358 0.00000000 0.005
0.00000000 0.13443406 0.00000000 0.005
0.00000000 0.13194454 0.00000000 0.005
0.00000000 0.12945502 0.00000000 0.005
0.00000000 0.12696550 0.00000000 0.005
0.00000000 0.12447598 0.00000000 0.005
0.00000000 0.12198646 0.00000000 0.005
0.00000000 0.11949694 0.00000000 0.005
0.00000000 0.11700742 0.00000000 0.005
 0.00000000 0.11451790 0.00000000 0.005
0.00000000 0.11202838 0.00000000 0.005
0.00000000 0.10953886 0.00000000 0.005
0.00000000 0.10704934 0.00000000 0.005
0.00000000 0.10455982 0.00000000 0.005
0.00000000 0.10207030 0.00000000 0.005
0.00000000 0.09958078 0.00000000 0.005
0.00000000 0.09709127 0.00000000 0.005
0.00000000 0.09460175 0.00000000 0.005
0.00000000 0.09211223 0.00000000 0.005
0.00000000 0.08962271 0.00000000 0.005
0.00000000 0.08713319 0.00000000 0.005
0.00000000 0.08464367 0.00000000 0.005
0.00000000 0.08215415 0.00000000 0.005
0.00000000 0.07966463 0.00000000 0.005
0.00000000 0.07717511 0.00000000 0.005
0.00000000 0.07468559 0.00000000 0.005
0.00000000 0.07219607 0.00000000 0.005
0.00000000 0.06970655 0.00000000 0.005
0.00000000 0.06721703 0.00000000 0.005
0.00000000 0.06472751 0.00000000 0.005
0.00000000 0.06223799 0.00000000 0.005
0.00000000 0.05974847 0.00000000 0.005
0.00000000 0.05725895 0.00000000 0.005
0.00000000 0.05476943 0.00000000 0.005
0.00000000 0.05227991 0.00000000 0.005
0.00000000 0.04979039 0.00000000 0.005
0.00000000 0.04730087 0.00000000 0.005
0.00000000 0.04481135 0.00000000 0.005
0.00000000 0.04232183 0.00000000 0.005
0.00000000 0.03983231 0.00000000 0.005
0.00000000 0.03734279 0.00000000 0.005
0.00000000 0.03485327 0.00000000 0.005
0.00000000 0.03236376 0.00000000 0.005
0.00000000 0.02987424 0.00000000 0.005
0.00000000 0.02738472 0.00000000 0.005
0.00000000 0.02489520 0.00000000 0.005
0.00000000 0.02240568 0.00000000 0.005
0.00000000 0.01991616 0.00000000 0.005
0.00000000 0.01742664 0.00000000 0.005
0.00000000 0.01493712 0.00000000 0.005
0.00000000 0.01244760 0.00000000 0.005
0.00000000 0.00995808 0.00000000 0.005
0.00000000 0.00746856 0.00000000 0.005
0.00000000 0.00497904 0.00000000 0.005
0.00000000 0.00248952 0.00000000 0.005
0.00000000 0.00000000 0.00000000 0.005

k-points in reciprocal lattice and weights: \Gamma -> L -> W -> X -> \Gamma
0.00000000 0.00000000 0.00000000 0.005
0.00819672 0.00819672 0.00819672 0.005
0.01639344 0.01639344 0.01639344 0.005
0.02459016 0.02459016 0.02459016 0.005
0.03278689 0.03278689 0.03278689 0.005
0.04098361 0.04098361 0.04098361 0.005
0.04918033 0.04918033 0.04918033 0.005
0.05737705 0.05737705 0.05737705 0.005
0.06557377 0.06557377 0.06557377 0.005
0.07377049 0.07377049 0.07377049 0.005
0.08196721 0.08196721 0.08196721 0.005
0.09016393 0.09016393 0.09016393 0.005
0.09836066 0.09836066 0.09836066 0.005
0.10655738 0.10655738 0.10655738 0.005
0.11475410 0.11475410 0.11475410 0.005
0.12295082 0.12295082 0.12295082 0.005
0.13114754 0.13114754 0.13114754 0.005
0.13934426 0.13934426 0.13934426 0.005
0.14754098 0.14754098 0.14754098 0.005
0.15573770 0.15573770 0.15573770 0.005
0.16393443 0.16393443 0.16393443 0.005
0.17213115 0.17213115 0.17213115 0.005
0.18032787 0.18032787 0.18032787 0.005
0.18852459 0.18852459 0.18852459 0.005
0.19672131 0.19672131 0.19672131 0.005
0.20491803 0.20491803 0.20491803 0.005
0.21311475 0.21311475 0.21311475 0.005
0.22131148 0.22131148 0.22131148 0.005
0.22950820 0.22950820 0.22950820 0.005
0.23770492 0.23770492 0.23770492 0.005
0.24590164 0.24590164 0.24590164 0.005
0.25409836 0.25409836 0.25409836 0.005
0.26229508 0.26229508 0.26229508 0.005
0.27049180 0.27049180 0.27049180 0.005
0.27868852 0.27868852 0.27868852 0.005
0.28688525 0.28688525 0.28688525 0.005
0.29508197 0.29508197 0.29508197 0.005
0.30327869 0.30327869 0.30327869 0.005
0.31147541 0.31147541 0.31147541 0.005
0.31967213 0.31967213 0.31967213 0.005
0.32786885 0.32786885 0.32786885 0.005
0.33606557 0.33606557 0.33606557 0.005
0.34426230 0.34426230 0.34426230 0.005
0.35245902 0.35245902 0.35245902 0.005
0.36065574 0.36065574 0.36065574 0.005
0.36885246 0.36885246 0.36885246 0.005
0.37704918 0.37704918 0.37704918 0.005
0.38524590 0.38524590 0.38524590 0.005
0.39344262 0.39344262 0.39344262 0.005
0.40163934 0.40163934 0.40163934 0.005
0.40983607 0.40983607 0.40983607 0.005
0.41803279 0.41803279 0.41803279 0.005
0.42622951 0.42622951 0.42622951 0.005
0.43442623 0.43442623 0.43442623 0.005
0.44262295 0.44262295 0.44262295 0.005
0.45081967 0.45081967 0.45081967 0.005
0.45901639 0.45901639 0.45901639 0.005
0.46721311 0.46721311 0.46721311 0.005
0.47540984 0.47540984 0.47540984 0.005
0.48360656 0.48360656 0.48360656 0.005
0.49180328 0.49180328 0.49180328 0.005
0.50000000 0.50000000 0.50000000 0.005
0.50000000 0.49500000 0.50500000 0.005
0.50000000 0.49000000 0.51000000 0.005
0.50000000 0.48500000 0.51500000 0.005
0.50000000 0.48000000 0.52000000 0.005
0.50000000 0.47500000 0.52500000 0.005
0.50000000 0.47000000 0.53000000 0.005
0.50000000 0.46500000 0.53500000 0.005
0.50000000 0.46000000 0.54000000 0.005
0.50000000 0.45500000 0.54500000 0.005
0.50000000 0.45000000 0.55000000 0.005
0.50000000 0.44500000 0.55500000 0.005
0.50000000 0.44000000 0.56000000 0.005
0.50000000 0.43500000 0.56500000 0.005
0.50000000 0.43000000 0.57000000 0.005
0.50000000 0.42500000 0.57500000 0.005
0.50000000 0.42000000 0.58000000 0.005
0.50000000 0.41500000 0.58500000 0.005
0.50000000 0.41000000 0.59000000 0.005
0.50000000 0.40500000 0.59500000 0.005
0.50000000 0.40000000 0.60000000 0.005
0.50000000 0.39500000 0.60500000 0.005
0.50000000 0.39000000 0.61000000 0.005
0.50000000 0.38500000 0.61500000 0.005
0.50000000 0.38000000 0.62000000 0.005
0.50000000 0.37500000 0.62500000 0.005
0.50000000 0.37000000 0.63000000 0.005
0.50000000 0.36500000 0.63500000 0.005
0.50000000 0.36000000 0.64000000 0.005
0.50000000 0.35500000 0.64500000 0.005
0.50000000 0.35000000 0.65000000 0.005
0.50000000 0.34500000 0.65500000 0.005
0.50000000 0.34000000 0.66000000 0.005
0.50000000 0.33500000 0.66500000 0.005
0.50000000 0.33000000 0.67000000 0.005
0.50000000 0.32500000 0.67500000 0.005
0.50000000 0.32000000 0.68000000 0.005
0.50000000 0.31500000 0.68500000 0.005
0.50000000 0.31000000 0.69000000 0.005
0.50000000 0.30500000 0.69500000 0.005
0.50000000 0.30000000 0.70000000 0.005
0.50000000 0.29500000 0.70500000 0.005
0.50000000 0.29000000 0.71000000 0.005
0.50000000 0.28500000 0.71500000 0.005
0.50000000 0.28000000 0.72000000 0.005
0.50000000 0.27500000 0.72500000 0.005
0.50000000 0.27000000 0.73000000 0.005
0.50000000 0.26500000 0.73500000 0.005
0.50000000 0.26000000 0.74000000 0.005
0.50000000 0.25500000 0.74500000 0.005
0.50000000 0.25000000 0.75000000 0.005
0.50000000 0.24305556 0.74305556 0.005
0.50000000 0.23611111 0.73611111 0.005
0.50000000 0.22916667 0.72916667 0.005
0.50000000 0.22222222 0.72222222 0.005
0.50000000 0.21527778 0.71527778 0.005
0.50000000 0.20833333 0.70833333 0.005
0.50000000 0.20138889 0.70138889 0.005
0.50000000 0.19444444 0.69444444 0.005
0.50000000 0.18750000 0.68750000 0.005
0.50000000 0.18055556 0.68055556 0.005
0.50000000 0.17361111 0.67361111 0.005
0.50000000 0.16666667 0.66666667 0.005
0.50000000 0.15972222 0.65972222 0.005
0.50000000 0.15277778 0.65277778 0.005
0.50000000 0.14583333 0.64583333 0.005
0.50000000 0.13888889 0.63888889 0.005
0.50000000 0.13194444 0.63194444 0.005
0.50000000 0.12500000 0.62500000 0.005
0.50000000 0.11805556 0.61805556 0.005
0.50000000 0.11111111 0.61111111 0.005
0.50000000 0.10416667 0.60416667 0.005
0.50000000 0.09722222 0.59722222 0.005
0.50000000 0.09027778 0.59027778 0.005
0.50000000 0.08333333 0.58333333 0.005
0.50000000 0.07638889 0.57638889 0.005
0.50000000 0.06944444 0.56944444 0.005
0.50000000 0.06250000 0.56250000 0.005
0.50000000 0.05555556 0.55555556 0.005
0.50000000 0.04861111 0.54861111 0.005
0.50000000 0.04166667 0.54166667 0.005
0.50000000 0.03472222 0.53472222 0.005
0.50000000 0.02777778 0.52777778 0.005
0.50000000 0.02083333 0.52083333 0.005
0.50000000 0.01388889 0.51388889 0.005
0.50000000 0.00694444 0.50694444 0.005
0.50000000 0.00000000 0.50000000 0.005
0.49295775 0.00000000 0.49295775 0.005
0.48591549 0.00000000 0.48591549 0.005
0.47887324 0.00000000 0.47887324 0.005
0.47183099 0.00000000 0.47183099 0.005
0.46478873 0.00000000 0.46478873 0.005
0.45774648 0.00000000 0.45774648 0.005
0.45070423 0.00000000 0.45070423 0.005
0.44366197 0.00000000 0.44366197 0.005
0.43661972 0.00000000 0.43661972 0.005
0.42957746 0.00000000 0.42957746 0.005
0.42253521 0.00000000 0.42253521 0.005
0.41549296 0.00000000 0.41549296 0.005
0.40845070 0.00000000 0.40845070 0.005
0.40140845 0.00000000 0.40140845 0.005
0.39436620 0.00000000 0.39436620 0.005
0.38732394 0.00000000 0.38732394 0.005
0.38028169 0.00000000 0.38028169 0.005
0.37323944 0.00000000 0.37323944 0.005
0.36619718 0.00000000 0.36619718 0.005
0.35915493 0.00000000 0.35915493 0.005
0.35211268 0.00000000 0.35211268 0.005
0.34507042 0.00000000 0.34507042 0.005
0.33802817 0.00000000 0.33802817 0.005
0.33098592 0.00000000 0.33098592 0.005
0.32394366 0.00000000 0.32394366 0.005
0.31690141 0.00000000 0.31690141 0.005
0.30985915 0.00000000 0.30985915 0.005
0.30281690 0.00000000 0.30281690 0.005
0.29577465 0.00000000 0.29577465 0.005
0.28873239 0.00000000 0.28873239 0.005
0.28169014 0.00000000 0.28169014 0.005
0.27464789 0.00000000 0.27464789 0.005
0.26760563 0.00000000 0.26760563 0.005
0.26056338 0.00000000 0.26056338 0.005
0.25352113 0.00000000 0.25352113 0.005
0.24647887 0.00000000 0.24647887 0.005
0.23943662 0.00000000 0.23943662 0.005
0.23239437 0.00000000 0.23239437 0.005
0.22535211 0.00000000 0.22535211 0.005
 0.21830986 0.00000000 0.21830986 0.005
0.21126761 0.00000000 0.21126761 0.005
0.20422535 0.00000000 0.20422535 0.005
0.19718310 0.00000000 0.19718310 0.005
0.19014085 0.00000000 0.19014085 0.005
0.18309859 0.00000000 0.18309859 0.005
0.17605634 0.00000000 0.17605634 0.005
0.16901408 0.00000000 0.16901408 0.005
0.16197183 0.00000000 0.16197183 0.005
0.15492958 0.00000000 0.15492958 0.005
0.14788732 0.00000000 0.14788732 0.005
0.14084507 0.00000000 0.14084507 0.005
0.13380282 0.00000000 0.13380282 0.005
0.12676056 0.00000000 0.12676056 0.005
0.11971831 0.00000000 0.11971831 0.005
0.11267606 0.00000000 0.11267606 0.005
0.10563380 0.00000000 0.10563380 0.005
0.09859155 0.00000000 0.09859155 0.005
0.09154930 0.00000000 0.09154930 0.005
0.08450704 0.00000000 0.08450704 0.005
0.07746479 0.00000000 0.07746479 0.005
0.07042254 0.00000000 0.07042254 0.005
0.06338028 0.00000000 0.06338028 0.005
0.05633803 0.00000000 0.05633803 0.005
0.04929577 0.00000000 0.04929577 0.005
0.04225352 0.00000000 0.04225352 0.005
0.03521127 0.00000000 0.03521127 0.005
0.02816901 0.00000000 0.02816901 0.005
0.02112676 0.00000000 0.02112676 0.005
0.01408451 0.00000000 0.01408451 0.005
0.00704225 0.00000000 0.00704225 0.005
0.00000000 0.00000000 0.00000000 0.005

position of ions in fractional coordinates (direct lattice)

0.75000000 0.75000000 0.75000000
0.50000000 0.50000000 0.50000000

position of ions in cartesian coordinates (Angst):

4.03098300 4.03098300 4.03098300
2.68732200 2.68732200 2.68732200

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

k-point 1 : 0.0000 0.0000 0.0000 plane waves: 283

k-point 2 : 0.0082 0.0082 0.0082 plane waves: 283
k-point 3 : 0.0164 0.0164 0.0164 plane waves: 283
k-point 4 : 0.0246 0.0246 0.0246 plane waves: 283
k-point 5 : 0.0328 0.0328 0.0328 plane waves: 283
k-point 6 : 0.0410 0.0410 0.0410 plane waves: 283
k-point 7 : 0.0492 0.0492 0.0492 plane waves: 283
k-point 8 : 0.0574 0.0574 0.0574 plane waves: 283
k-point 9 : 0.0656 0.0656 0.0656 plane waves: 286
k-point 10 : 0.0738 0.0738 0.0738 plane waves: 286
k-point 11 : 0.0820 0.0820 0.0820 plane waves: 286
k-point 12 : 0.0902 0.0902 0.0902 plane waves: 286
k-point 13 : 0.0984 0.0984 0.0984 plane waves: 286
k-point 14 : 0.1066 0.1066 0.1066 plane waves: 280
k-point 15 : 0.1148 0.1148 0.1148 plane waves: 280
k-point 16 : 0.1230 0.1230 0.1230 plane waves: 283
k-point 17 : 0.1311 0.1311 0.1311 plane waves: 283
k-point 18 : 0.1393 0.1393 0.1393 plane waves: 289
k-point 19 : 0.1475 0.1475 0.1475 plane waves: 289
k-point 20 : 0.1557 0.1557 0.1557 plane waves: 289
k-point 21 : 0.1639 0.1639 0.1639 plane waves: 289
k-point 22 : 0.1721 0.1721 0.1721 plane waves: 289
k-point 23 : 0.1803 0.1803 0.1803 plane waves: 289
k-point 24 : 0.1885 0.1885 0.1885 plane waves: 289
k-point 25 : 0.1967 0.1967 0.1967 plane waves: 289
k-point 26 : 0.2049 0.2049 0.2049 plane waves: 289
k-point 27 : 0.2131 0.2131 0.2131 plane waves: 289
k-point 28 : 0.2213 0.2213 0.2213 plane waves: 289
k-point 29 : 0.2295 0.2295 0.2295 plane waves: 289
k-point 30 : 0.2377 0.2377 0.2377 plane waves: 289
k-point 31 : 0.2459 0.2459 0.2459 plane waves: 289
k-point 32 : 0.2541 0.2541 0.2541 plane waves: 289
k-point 33 : 0.2623 0.2623 0.2623 plane waves: 289
k-point 34 : 0.2705 0.2705 0.2705 plane waves: 289
k-point 35 : 0.2787 0.2787 0.2787 plane waves: 287
k-point 36 : 0.2869 0.2869 0.2869 plane waves: 287
k-point 37 : 0.2951 0.2951 0.2951 plane waves: 287
k-point 38 : 0.3033 0.3033 0.3033 plane waves: 287
k-point 39 : 0.3115 0.3115 0.3115 plane waves: 287
k-point 40 : 0.3197 0.3197 0.3197 plane waves: 287
k-point 41 : 0.3279 0.3279 0.3279 plane waves: 287
k-point 42 : 0.3361 0.3361 0.3361 plane waves: 287
k-point 43 : 0.3443 0.3443 0.3443 plane waves: 287
k-point 44 : 0.3525 0.3525 0.3525 plane waves: 287
k-point 45 : 0.3607 0.3607 0.3607 plane waves: 281
k-point 46 : 0.3689 0.3689 0.3689 plane waves: 281
k-point 47 : 0.3770 0.3770 0.3770 plane waves: 281
k-point 48 : 0.3852 0.3852 0.3852 plane waves: 281
k-point 49 : 0.3934 0.3934 0.3934 plane waves: 281
k-point 50 : 0.4016 0.4016 0.4016 plane waves: 281
k-point 51 : 0.4098 0.4098 0.4098 plane waves: 281
k-point 52 : 0.4180 0.4180 0.4180 plane waves: 281
k-point 53 : 0.4262 0.4262 0.4262 plane waves: 281
k-point 54 : 0.4344 0.4344 0.4344 plane waves: 275
k-point 55 : 0.4426 0.4426 0.4426 plane waves: 269
k-point 56 : 0.4508 0.4508 0.4508 plane waves: 272
k-point 57 : 0.4590 0.4590 0.4590 plane waves: 272
k-point 58 : 0.4672 0.4672 0.4672 plane waves: 272
k-point 59 : 0.4754 0.4754 0.4754 plane waves: 272
k-point 60 : 0.4836 0.4836 0.4836 plane waves: 272
k-point 61 : 0.4918 0.4918 0.4918 plane waves: 272
k-point 62 : 0.5000 0.5000 0.5000 plane waves: 272
k-point 63 : 0.5000 0.4950 0.5050 plane waves: 272
k-point 64 : 0.5000 0.4900 0.5100 plane waves: 272
k-point 65 : 0.5000 0.4850 0.5150 plane waves: 272
k-point 66 : 0.5000 0.4800 0.5200 plane waves: 272
k-point 67 : 0.5000 0.4750 0.5250 plane waves: 272
k-point 68 : 0.5000 0.4700 0.5300 plane waves: 272
k-point 69 : 0.5000 0.4650 0.5350 plane waves: 274
k-point 70 : 0.5000 0.4600 0.5400 plane waves: 274
k-point 71 : 0.5000 0.4550 0.5450 plane waves: 280
k-point 72 : 0.5000 0.4500 0.5500 plane waves: 280
k-point 73 : 0.5000 0.4450 0.5550 plane waves: 280
k-point 74 : 0.5000 0.4400 0.5600 plane waves: 278
k-point 75 : 0.5000 0.4350 0.5650 plane waves: 278
k-point 76 : 0.5000 0.4300 0.5700 plane waves: 280
k-point 77 : 0.5000 0.4250 0.5750 plane waves: 280
k-point 78 : 0.5000 0.4200 0.5800 plane waves: 280
k-point 79 : 0.5000 0.4150 0.5850 plane waves: 280
k-point 80 : 0.5000 0.4100 0.5900 plane waves: 280
k-point 81 : 0.5000 0.4050 0.5950 plane waves: 276
k-point 82 : 0.5000 0.4000 0.6000 plane waves: 280
k-point 83 : 0.5000 0.3950 0.6050 plane waves: 280
k-point 84 : 0.5000 0.3900 0.6100 plane waves: 280
k-point 85 : 0.5000 0.3850 0.6150 plane waves: 280
k-point 86 : 0.5000 0.3800 0.6200 plane waves: 278
k-point 87 : 0.5000 0.3750 0.6250 plane waves: 278
k-point 88 : 0.5000 0.3700 0.6300 plane waves: 278
k-point 89 : 0.5000 0.3650 0.6350 plane waves: 280
k-point 90 : 0.5000 0.3600 0.6400 plane waves: 280
k-point 91 : 0.5000 0.3550 0.6450 plane waves: 280
k-point 92 : 0.5000 0.3500 0.6500 plane waves: 278
k-point 93 : 0.5000 0.3450 0.6550 plane waves: 280
k-point 94 : 0.5000 0.3400 0.6600 plane waves: 280
k-point 95 : 0.5000 0.3350 0.6650 plane waves: 282
k-point 96 : 0.5000 0.3300 0.6700 plane waves: 282
k-point 97 : 0.5000 0.3250 0.6750 plane waves: 278
k-point 98 : 0.5000 0.3200 0.6800 plane waves: 278
k-point 99 : 0.5000 0.3150 0.6850 plane waves: 278
k-point ** : 0.5000 0.3100 0.6900 plane waves: 278
k-point ** : 0.5000 0.3050 0.6950 plane waves: 276
k-point ** : 0.5000 0.3000 0.7000 plane waves: 276
k-point ** : 0.5000 0.2950 0.7050 plane waves: 276
k-point ** : 0.5000 0.2900 0.7100 plane waves: 274
k-point ** : 0.5000 0.2850 0.7150 plane waves: 276
k-point ** : 0.5000 0.2800 0.7200 plane waves: 276
k-point ** : 0.5000 0.2750 0.7250 plane waves: 276
k-point ** : 0.5000 0.2700 0.7300 plane waves: 276
k-point ** : 0.5000 0.2650 0.7350 plane waves: 278
k-point ** : 0.5000 0.2600 0.7400 plane waves: 280
k-point ** : 0.5000 0.2550 0.7450 plane waves: 280
k-point ** : 0.5000 0.2500 0.7500 plane waves: 280
k-point ** : 0.5000 0.2431 0.7431 plane waves: 280
k-point ** : 0.5000 0.2361 0.7361 plane waves: 280
k-point ** : 0.5000 0.2292 0.7292 plane waves: 280
k-point ** : 0.5000 0.2222 0.7222 plane waves: 280
k-point ** : 0.5000 0.2153 0.7153 plane waves: 276
k-point ** : 0.5000 0.2083 0.7083 plane waves: 276
k-point ** : 0.5000 0.2014 0.7014 plane waves: 276
k-point ** : 0.5000 0.1944 0.6944 plane waves: 276
k-point ** : 0.5000 0.1875 0.6875 plane waves: 278
k-point ** : 0.5000 0.1806 0.6806 plane waves: 278
k-point ** : 0.5000 0.1736 0.6736 plane waves: 282
k-point ** : 0.5000 0.1667 0.6667 plane waves: 282
k-point ** : 0.5000 0.1597 0.6597 plane waves: 282
k-point ** : 0.5000 0.1528 0.6528 plane waves: 282
k-point ** : 0.5000 0.1458 0.6458 plane waves: 282
k-point ** : 0.5000 0.1389 0.6389 plane waves: 280
k-point ** : 0.5000 0.1319 0.6319 plane waves: 280
k-point ** : 0.5000 0.1250 0.6250 plane waves: 280
k-point ** : 0.5000 0.1181 0.6181 plane waves: 280
k-point ** : 0.5000 0.1111 0.6111 plane waves: 280
k-point ** : 0.5000 0.1042 0.6042 plane waves: 280
k-point ** : 0.5000 0.0972 0.5972 plane waves: 280
k-point ** : 0.5000 0.0903 0.5903 plane waves: 280
k-point ** : 0.5000 0.0833 0.5833 plane waves: 284
k-point ** : 0.5000 0.0764 0.5764 plane waves: 284
k-point ** : 0.5000 0.0694 0.5694 plane waves: 280
k-point ** : 0.5000 0.0625 0.5625 plane waves: 280
k-point ** : 0.5000 0.0556 0.5556 plane waves: 280
k-point ** : 0.5000 0.0486 0.5486 plane waves: 280
k-point ** : 0.5000 0.0417 0.5417 plane waves: 286
k-point ** : 0.5000 0.0347 0.5347 plane waves: 286
k-point ** : 0.5000 0.0278 0.5278 plane waves: 290
k-point ** : 0.5000 0.0208 0.5208 plane waves: 290
k-point ** : 0.5000 0.0139 0.5139 plane waves: 290
k-point ** : 0.5000 0.0069 0.5069 plane waves: 286
k-point ** : 0.5000 0.0000 0.5000 plane waves: 286
k-point ** : 0.4930 0.0000 0.4930 plane waves: 286
k-point ** : 0.4859 0.0000 0.4859 plane waves: 286
k-point ** : 0.4789 0.0000 0.4789 plane waves: 294
k-point ** : 0.4718 0.0000 0.4718 plane waves: 294
k-point ** : 0.4648 0.0000 0.4648 plane waves: 294
k-point ** : 0.4577 0.0000 0.4577 plane waves: 290
k-point ** : 0.4507 0.0000 0.4507 plane waves: 290
k-point ** : 0.4437 0.0000 0.4437 plane waves: 290
k-point ** : 0.4366 0.0000 0.4366 plane waves: 286
k-point ** : 0.4296 0.0000 0.4296 plane waves: 286
k-point ** : 0.4225 0.0000 0.4225 plane waves: 286
k-point ** : 0.4155 0.0000 0.4155 plane waves: 286
k-point ** : 0.4085 0.0000 0.4085 plane waves: 286
k-point ** : 0.4014 0.0000 0.4014 plane waves: 286
k-point ** : 0.3944 0.0000 0.3944 plane waves: 286
k-point ** : 0.3873 0.0000 0.3873 plane waves: 286
k-point ** : 0.3803 0.0000 0.3803 plane waves: 286
k-point ** : 0.3732 0.0000 0.3732 plane waves: 286
k-point ** : 0.3662 0.0000 0.3662 plane waves: 286
k-point ** : 0.3592 0.0000 0.3592 plane waves: 286
k-point ** : 0.3521 0.0000 0.3521 plane waves: 286
k-point ** : 0.3451 0.0000 0.3451 plane waves: 282
k-point ** : 0.3380 0.0000 0.3380 plane waves: 274
k-point ** : 0.3310 0.0000 0.3310 plane waves: 274
k-point ** : 0.3239 0.0000 0.3239 plane waves: 282
k-point ** : 0.3169 0.0000 0.3169 plane waves: 282
k-point ** : 0.3099 0.0000 0.3099 plane waves: 290
k-point ** : 0.3028 0.0000 0.3028 plane waves: 290
k-point ** : 0.2958 0.0000 0.2958 plane waves: 290
k-point ** : 0.2887 0.0000 0.2887 plane waves: 290
k-point ** : 0.2817 0.0000 0.2817 plane waves: 290
k-point ** : 0.2746 0.0000 0.2746 plane waves: 290
k-point ** : 0.2676 0.0000 0.2676 plane waves: 290
k-point ** : 0.2606 0.0000 0.2606 plane waves: 290
k-point ** : 0.2535 0.0000 0.2535 plane waves: 290
k-point ** : 0.2465 0.0000 0.2465 plane waves: 290
k-point ** : 0.2394 0.0000 0.2394 plane waves: 290
k-point ** : 0.2324 0.0000 0.2324 plane waves: 290
k-point ** : 0.2254 0.0000 0.2254 plane waves: 291
k-point ** : 0.2183 0.0000 0.2183 plane waves: 291
k-point ** : 0.2113 0.0000 0.2113 plane waves: 291
 k-point ** : 0.2042 0.0000 0.2042 plane waves: 291
k-point ** : 0.1972 0.0000 0.1972 plane waves: 291
k-point ** : 0.1901 0.0000 0.1901 plane waves: 295
k-point ** : 0.1831 0.0000 0.1831 plane waves: 295
k-point ** : 0.1761 0.0000 0.1761 plane waves: 295
k-point ** : 0.1690 0.0000 0.1690 plane waves: 295
k-point ** : 0.1620 0.0000 0.1620 plane waves: 295
k-point ** : 0.1549 0.0000 0.1549 plane waves: 295
k-point ** : 0.1479 0.0000 0.1479 plane waves: 295
k-point ** : 0.1408 0.0000 0.1408 plane waves: 295
k-point ** : 0.1338 0.0000 0.1338 plane waves: 295
k-point ** : 0.1268 0.0000 0.1268 plane waves: 295
k-point ** : 0.1197 0.0000 0.1197 plane waves: 295
k-point ** : 0.1127 0.0000 0.1127 plane waves: 295
k-point ** : 0.1056 0.0000 0.1056 plane waves: 287
k-point ** : 0.0986 0.0000 0.0986 plane waves: 287
k-point ** : 0.0915 0.0000 0.0915 plane waves: 283
k-point ** : 0.0845 0.0000 0.0845 plane waves: 283
k-point ** : 0.0775 0.0000 0.0775 plane waves: 283
k-point ** : 0.0704 0.0000 0.0704 plane waves: 287
k-point ** : 0.0634 0.0000 0.0634 plane waves: 283
k-point ** : 0.0563 0.0000 0.0563 plane waves: 283
k-point ** : 0.0493 0.0000 0.0493 plane waves: 283
k-point ** : 0.0423 0.0000 0.0423 plane waves: 283
k-point ** : 0.0352 0.0000 0.0352 plane waves: 283
k-point ** : 0.0282 0.0000 0.0282 plane waves: 283
k-point ** : 0.0211 0.0000 0.0211 plane waves: 283
k-point ** : 0.0141 0.0000 0.0141 plane waves: 283
k-point ** : 0.0070 0.0000 0.0070 plane waves: 283
k-point ** : 0.0000 0.0000 0.0000 plane waves: 283

maximum and minimum number of plane-waves per node : 295 269

maximum number of plane-waves: 295

maximum index in each direction:
IXMAX= 4 IYMAX= 4 IZMAX= 4
IXMIN= -5 IYMIN= -5 IZMIN= -5

WARNING: aliasing errors must be expected set NGX to 20 to avoid them

WARNING: aliasing errors must be expected set NGY to 20 to avoid them
WARNING: aliasing errors must be expected set NGZ to 20 to avoid them
aliasing errors are usually negligible using standard VASP settings
and one can safely disregard these warnings

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 on root node 45008. kBytes

========================================================================

base : 30000. kBytes

nonl-proj : 6751. kBytes
fftplans : 319. kBytes
grid : 1095. kBytes
one-center: 32. kBytes
wavefun : 6811. kBytes
 INWAV: cpu time 0.0000: real time 0.0000
initial charge density was supplied:
number of electron 8.0000007 magnetization 0.0000000
keeping initial charge density in first step

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

Maximum index for augmentation-charges 1345 (set IRDMAX)

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

First call to EWALD: gamma= 0.523

Maximum number of real-space cells 3x 3x 3
Maximum number of reciprocal cells 3x 3x 3

FEWALD executed in parallel

FEWALD: cpu time 0.0000: real time 0.0005

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

POTLOK: cpu time 0.0120: real time 0.0097

SETDIJ: cpu time 0.0080: real time 0.0073
EDDAV: cpu time 1.1680: real time 1.1712
DOS: cpu time 0.0040: real time 0.0013
--------------------------------------------
LOOP: cpu time 1.1920: real time 1.1899

eigenvalue-minimisations : 10768
total energy-change (2. order) : 0.1076017E+02 (-0.1975823E+03)
number of electron 8.0000007 magnetization 0.0000000
augmentation part 8.0000007 magnetization 0.0000000

Free energy of the ion-electron system (eV)

---------------------------------------------------
alpha Z PSCENC = 19.69722271
Ewald energy TEWEN = -230.91760875
-Hartree energ DENC = -13.61219615
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = -13.87920855
PAW double counting = 597.75867218 -569.27563274
entropy T*S EENTRO = -0.00002780
eigenvalues EBANDS = 11.00010117
atomic energy EATOM = 209.98884363
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = 10.76016571 eV

energy without entropy = 10.76019351 energy(sigma->0) = 10.76017961

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

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

EDDAV: cpu time 1.4600: real time 1.4603

DOS: cpu time 0.0000: real time 0.0013
--------------------------------------------
LOOP: cpu time 1.4600: real time 1.4618

eigenvalue-minimisations : 13952
total energy-change (2. order) :-0.1490798E+02 (-0.1424253E+02)
number of electron 8.0000007 magnetization 0.0000000
augmentation part 8.0000007 magnetization 0.0000000

Free energy of the ion-electron system (eV)

---------------------------------------------------
alpha Z PSCENC = 19.69722271
Ewald energy TEWEN = -230.91760875
-Hartree energ DENC = -13.61219615
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = -13.87920855
PAW double counting = 597.75867218 -569.27563274
entropy T*S EENTRO = -0.00007256
eigenvalues EBANDS = -3.90783024
atomic energy EATOM = 209.98884363
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -4.14781046 eV

energy without entropy = -4.14773790 energy(sigma->0) = -4.14777418

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

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

EDDAV: cpu time 1.3800: real time 1.3772

DOS: cpu time 0.0000: real time 0.0006
--------------------------------------------
LOOP: cpu time 1.3800: real time 1.3779

eigenvalue-minimisations : 13320
total energy-change (2. order) :-0.4020248E+00 (-0.3986778E+00)
number of electron 8.0000007 magnetization 0.0000000
augmentation part 8.0000007 magnetization 0.0000000

Free energy of the ion-electron system (eV)

 ---------------------------------------------------
alpha Z PSCENC = 19.69722271
Ewald energy TEWEN = -230.91760875
-Hartree energ DENC = -13.61219615
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = -13.87920855
PAW double counting = 597.75867218 -569.27563274
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -4.30992759
atomic energy EATOM = 209.98884363
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -4.54983525 eV

energy without entropy = -4.54983525 energy(sigma->0) = -4.54983525

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

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

EDDAV: cpu time 1.2160: real time 1.2156

DOS: cpu time 0.0000: real time 0.0006
--------------------------------------------
LOOP: cpu time 1.2160: real time 1.2164

eigenvalue-minimisations : 11628
total energy-change (2. order) :-0.6076964E-03 (-0.6076811E-03)
number of electron 8.0000007 magnetization 0.0000000
augmentation part 8.0000007 magnetization 0.0000000

Free energy of the ion-electron system (eV)

---------------------------------------------------
alpha Z PSCENC = 19.69722271
Ewald energy TEWEN = -230.91760875
-Hartree energ DENC = -13.61219615
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = -13.87920855
PAW double counting = 597.75867218 -569.27563274
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -4.31053529
atomic energy EATOM = 209.98884363
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -4.55044295 eV

energy without entropy = -4.55044295 energy(sigma->0) = -4.55044295

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

EDDAV: cpu time 1.3160: real time 1.3154

DOS: cpu time 0.0000: real time 0.0006
--------------------------------------------
LOOP: cpu time 1.3160: real time 1.3161

eigenvalue-minimisations : 12772
total energy-change (2. order) :-0.6332195E-06 (-0.6332203E-06)
number of electron 8.0000007 magnetization 0.0000000
augmentation part 8.0000007 magnetization 0.0000000

Free energy of the ion-electron system (eV)

---------------------------------------------------
alpha Z PSCENC = 19.69722271
Ewald energy TEWEN = -230.91760875
-Hartree energ DENC = -13.61219615
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = -13.87920855
PAW double counting = 597.75867218 -569.27563274
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -4.31053592
atomic energy EATOM = 209.98884363
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -4.55044358 eV

energy without entropy = -4.55044358 energy(sigma->0) = -4.55044358

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

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

EDDAV: cpu time 1.2040: real time 1.2059

DOS: cpu time 0.0040: real time 0.0006
--------------------------------------------
LOOP: cpu time 1.2080: real time 1.2066

eigenvalue-minimisations : 11504
total energy-change (2. order) :-0.1267381E-08 (-0.1256184E-08)
number of electron 8.0000007 magnetization 0.0000000
augmentation part 8.0000007 magnetization 0.0000000

Free energy of the ion-electron system (eV)

---------------------------------------------------
alpha Z PSCENC = 19.69722271
Ewald energy TEWEN = -230.91760875
-Hartree energ DENC = -13.61219615
 -exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = -13.87920855
PAW double counting = 597.75867218 -569.27563274
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -4.31053592
atomic energy EATOM = 209.98884363
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -4.55044359 eV

energy without entropy = -4.55044359 energy(sigma->0) = -4.55044359

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

average (electrostatic) potential at core

the test charge radii are 1.1631
(the norm of the test charge is 1.0000)
1 -31.6815 2 -31.6815

E-fermi : 5.3257 XC(G=0): -9.7519 alpha+bet :-10.6814

spin component 1

k-point 1 : 0.0000 0.0000 0.0000

band No. band energies occupation
1 -8.8489 1.00000
2 5.2319 1.00000
3 5.2319 1.00000
4 5.2319 1.00000
5 6.7889 0.00000
6 7.7881 0.00000
7 7.7881 0.00000
8 7.7881 0.00000
9 11.9826 0.00000
10 14.8368 0.00000
11 14.8368 0.00000
12 16.2416 0.00000

k-point 2 : 0.0082 0.0082 0.0082

band No. band energies occupation
1 -8.8480 1.00000
2 5.2097 1.00000
3 5.2296 1.00000
4 5.2296 1.00000
5 6.8039 0.00000
6 7.7911 0.00000
7 7.7911 0.00000
8 7.7927 0.00000
9 11.9880 0.00000
10 14.8261 0.00000
11 14.8261 0.00000
 12 16.2363 0.00000

k-point 3 : 0.0164 0.0164 0.0164

band No. band energies occupation
1 -8.8452 1.00000
2 5.1461 1.00000
3 5.2226 1.00000
4 5.2226 1.00000
5 6.8452 0.00000
6 7.8000 0.00000
7 7.8000 0.00000
8 7.8072 0.00000
9 12.0040 0.00000
10 14.7952 0.00000
11 14.7952 0.00000
12 16.2207 0.00000

k-point 4 : 0.0246 0.0246 0.0246

band No. band energies occupation
1 -8.8404 1.00000
2 5.0485 1.00000
3 5.2110 1.00000
4 5.2110 1.00000
5 6.9033 0.00000
6 7.8148 0.00000
7 7.8148 0.00000
8 7.8338 0.00000
9 12.0305 0.00000
10 14.7473 0.00000
11 14.7473 0.00000
12 16.1953 0.00000

k-point 5 : 0.0328 0.0328 0.0328

band No. band energies occupation
1 -8.8338 1.00000
2 4.9252 1.00000
3 5.1952 1.00000
4 5.1952 1.00000
5 6.9671 0.00000
6 7.8351 0.00000
7 7.8351 0.00000
8 7.8755 0.00000
9 12.0673 0.00000
10 14.6863 0.00000
11 14.6863 0.00000
12 16.1609 0.00000

k-point 6 : 0.0410 0.0410 0.0410

band No. band energies occupation
1 -8.8253 1.00000
2 4.7832 1.00000
3 5.1752 1.00000
4 5.1752 1.00000
5 7.0263 0.00000
6 7.8607 0.00000
7 7.8607 0.00000
8 7.9356 0.00000
9 12.1142 0.00000
10 14.6162 0.00000
 11 14.6162 0.00000
12 16.1185 0.00000

k-point 7 : 0.0492 0.0492 0.0492

band No. band energies occupation
1 -8.8149 1.00000
2 4.6279 1.00000
3 5.1514 1.00000
4 5.1514 1.00000
5 7.0739 0.00000
6 7.8913 0.00000
7 7.8913 0.00000
8 8.0162 0.00000
9 12.1706 0.00000
10 14.5400 0.00000
11 14.5400 0.00000
12 16.0695 0.00000

k-point 8 : 0.0574 0.0574 0.0574

band No. band energies occupation
1 -8.8026 1.00000
2 4.4630 1.00000
3 5.1242 1.00000
4 5.1242 1.00000
5 7.1065 0.00000
6 7.9265 0.00000
7 7.9265 0.00000
8 8.1169 0.00000
9 12.2362 0.00000
10 14.4604 0.00000
11 14.4604 0.00000
12 16.0150 0.00000

k-point 9 : 0.0656 0.0656 0.0656

band No. band energies occupation
1 -8.7884 1.00000
2 4.2908 1.00000
3 5.0938 1.00000
4 5.0938 1.00000
5 7.1243 0.00000
6 7.9657 0.00000
7 7.9657 0.00000
8 8.2351 0.00000
9 12.3104 0.00000
10 14.3791 0.00000
11 14.3791 0.00000
12 15.9562 0.00000

k-point 10 : 0.0738 0.0738 0.0738

band No. band energies occupation
1 -8.7723 1.00000
2 4.1141 1.00000
3 5.0606 1.00000
4 5.0606 1.00000
5 7.1294 0.00000
6 8.0086 0.00000
7 8.0086 0.00000
8 8.3675 0.00000
9 12.3925 0.00000
 10 14.2977 0.00000
11 14.2977 0.00000
12 15.8949 0.00000

k-point 11 : 0.0820 0.0820 0.0820

band No. band energies occupation
1 -8.7544 1.00000
2 3.9337 1.00000
3 5.0250 1.00000
4 5.0250 1.00000
5 7.1242 0.00000
6 8.0547 0.00000
7 8.0547 0.00000
8 8.5105 0.00000
9 12.4818 0.00000
10 14.2172 0.00000
11 14.2172 0.00000
12 15.8323 0.00000

k-point 12 : 0.0902 0.0902 0.0902

band No. band energies occupation
1 -8.7346 1.00000
2 3.7507 1.00000
3 4.9873 1.00000
4 4.9873 1.00000
5 7.1110 0.00000
6 8.1036 0.00000
7 8.1036 0.00000
8 8.6610 0.00000
9 12.5774 0.00000
10 14.1386 0.00000
11 14.1386 0.00000
12 15.7696 0.00000

k-point 13 : 0.0984 0.0984 0.0984

band No. band energies occupation
1 -8.7130 1.00000
2 3.5658 1.00000
3 4.9479 1.00000
4 4.9479 1.00000
5 7.0916 0.00000
6 8.1547 0.00000
7 8.1547 0.00000
8 8.8169 0.00000
9 12.6782 0.00000
10 14.0625 0.00000
11 14.0625 0.00000
12 15.7085 0.00000

k-point 14 : 0.1066 0.1066 0.1066

band No. band energies occupation
1 -8.6894 1.00000
2 3.3797 1.00000
3 4.9069 1.00000
4 4.9069 1.00000
5 7.0676 0.00000
6 8.2076 0.00000
7 8.2076 0.00000
8 8.9764 0.00000
 9 12.7829 0.00000
10 13.9895 0.00000
11 13.9895 0.00000
12 15.6504 0.00000

k-point 15 : 0.1148 0.1148 0.1148

band No. band energies occupation
1 -8.6641 1.00000
2 3.1927 1.00000
3 4.8647 1.00000
4 4.8647 1.00000
5 7.0399 0.00000
6 8.2619 0.00000
7 8.2619 0.00000
8 9.1382 0.00000
9 12.8901 0.00000
10 13.9202 0.00000
11 13.9202 0.00000
12 15.5970 0.00000

k-point 16 : 0.1230 0.1230 0.1230

band No. band energies occupation
1 -8.6369 1.00000
2 3.0052 1.00000
3 4.8216 1.00000
4 4.8216 1.00000
5 7.0093 0.00000
6 8.3171 0.00000
7 8.3171 0.00000
8 9.3016 0.00000
9 12.9979 0.00000
10 13.8547 0.00000
11 13.8547 0.00000
12 15.5502 0.00000

k-point 17 : 0.1311 0.1311 0.1311

band No. band energies occupation
1 -8.6078 1.00000
2 2.8177 1.00000
3 4.7777 1.00000
4 4.7777 1.00000
5 6.9766 0.00000
6 8.3728 0.00000
7 8.3728 0.00000
8 9.4660 0.00000
9 13.1042 0.00000
10 13.7940 0.00000
11 13.7940 0.00000
12 15.5123 0.00000

k-point 18 : 0.1393 0.1393 0.1393

band No. band energies occupation
1 -8.5769 1.00000
2 2.6304 1.00000
3 4.7331 1.00000
4 4.7331 1.00000
5 6.9420 0.00000
6 8.4285 0.00000
7 8.4285 0.00000
 8 9.6307 0.00000
9 13.2063 0.00000
10 13.7381 0.00000
11 13.7381 0.00000
12 15.4858 0.00000

k-point 19 : 0.1475 0.1475 0.1475

band No. band energies occupation
1 -8.5443 1.00000
2 2.4434 1.00000
3 4.6884 1.00000
4 4.6884 1.00000
5 6.9064 0.00000
6 8.4839 0.00000
7 8.4839 0.00000
8 9.7956 0.00000
9 13.3017 0.00000
10 13.6876 0.00000
11 13.6876 0.00000
12 15.4734 0.00000

k-point 20 : 0.1557 0.1557 0.1557

band No. band energies occupation
1 -8.5098 1.00000
2 2.2570 1.00000
3 4.6436 1.00000
4 4.6436 1.00000
5 6.8700 0.00000
6 8.5385 0.00000
7 8.5385 0.00000
8 9.9605 0.00000
9 13.3873 0.00000
10 13.6427 0.00000
11 13.6427 0.00000
12 15.4781 0.00000

k-point 21 : 0.1639 0.1639 0.1639

band No. band energies occupation
1 -8.4735 1.00000
2 2.0713 1.00000
3 4.5988 1.00000
4 4.5988 1.00000
5 6.8330 0.00000
6 8.5921 0.00000
7 8.5921 0.00000
8 10.1251 0.00000
9 13.4601 0.00000
10 13.6037 0.00000
11 13.6037 0.00000
12 15.5026 0.00000

k-point 22 : 0.1721 0.1721 0.1721

band No. band energies occupation
1 -8.4354 1.00000
2 1.8865 1.00000
3 4.5541 1.00000
4 4.5541 1.00000
5 6.7956 0.00000
6 8.6441 0.00000
 7 8.6441 0.00000
8 10.2893 0.00000
9 13.5178 0.00000
10 13.5710 0.00000
11 13.5710 0.00000
12 15.5491 0.00000

k-point 23 : 0.1803 0.1803 0.1803

band No. band energies occupation
1 -8.3956 1.00000
2 1.7028 1.00000
3 4.5097 1.00000
4 4.5097 1.00000
5 6.7581 0.00000
6 8.6942 0.00000
7 8.6942 0.00000
8 10.4531 0.00000
9 13.5448 0.00000
10 13.5448 0.00000
11 13.5593 0.00000
12 15.6188 0.00000

k-point 24 : 0.1885 0.1885 0.1885

band No. band energies occupation
1 -8.3541 1.00000
2 1.5201 1.00000
3 4.4657 1.00000
4 4.4657 1.00000
5 6.7207 0.00000
6 8.7422 0.00000
7 8.7422 0.00000
8 10.6164 0.00000
9 13.5255 0.00000
10 13.5255 0.00000
11 13.5844 0.00000
12 15.7113 0.00000

k-point 25 : 0.1967 0.1967 0.1967

band No. band energies occupation
1 -8.3108 1.00000
2 1.3387 1.00000
3 4.4221 1.00000
4 4.4221 1.00000
5 6.6834 0.00000
6 8.7876 0.00000
7 8.7876 0.00000
8 10.7791 0.00000
9 13.5133 0.00000
10 13.5133 0.00000
11 13.5945 0.00000
12 15.8253 0.00000

k-point 26 : 0.2049 0.2049 0.2049

band No. band energies occupation
1 -8.2659 1.00000
2 1.1586 1.00000
3 4.3790 1.00000
4 4.3790 1.00000
5 6.6464 0.00000
 6 8.8303 0.00000
7 8.8303 0.00000
8 10.9411 0.00000
9 13.5081 0.00000
10 13.5081 0.00000
11 13.5915 0.00000
12 15.9586 0.00000

k-point 27 : 0.2131 0.2131 0.2131

band No. band energies occupation
1 -8.2192 1.00000
2 0.9800 1.00000
3 4.3367 1.00000
4 4.3367 1.00000
5 6.6098 0.00000
6 8.8700 0.00000
7 8.8700 0.00000
8 11.1025 0.00000
9 13.5107 0.00000
10 13.5107 0.00000
11 13.5778 0.00000
12 16.1088 0.00000

k-point 28 : 0.2213 0.2213 0.2213

band No. band energies occupation
1 -8.1709 1.00000
2 0.8030 1.00000
3 4.2950 1.00000
4 4.2950 1.00000
5 6.5738 0.00000
6 8.9065 0.00000
7 8.9065 0.00000
8 11.2629 0.00000
9 13.5209 0.00000
10 13.5209 0.00000
11 13.5560 0.00000
12 16.2732 0.00000

k-point 29 : 0.2295 0.2295 0.2295

band No. band energies occupation
1 -8.1210 1.00000
2 0.6276 1.00000
3 4.2542 1.00000
4 4.2542 1.00000
5 6.5384 0.00000
6 8.9396 0.00000
7 8.9396 0.00000
8 11.4222 0.00000
9 13.5284 0.00000
10 13.5389 0.00000
11 13.5389 0.00000
12 16.4494 0.00000

k-point 30 : 0.2377 0.2377 0.2377

band No. band energies occupation
1 -8.0695 1.00000
2 0.4539 1.00000
3 4.2142 1.00000
4 4.2142 1.00000
 5 6.5036 0.00000
6 8.9693 0.00000
7 8.9693 0.00000
8 11.5799 0.00000
9 13.4972 0.00000
10 13.5648 0.00000
11 13.5648 0.00000
12 16.6352 0.00000

k-point 31 : 0.2459 0.2459 0.2459

band No. band energies occupation
1 -8.0165 1.00000
2 0.2821 1.00000
3 4.1751 1.00000
4 4.1751 1.00000
5 6.4696 0.00000
6 8.9956 0.00000
7 8.9956 0.00000
8 11.7357 0.00000
9 13.4644 0.00000
10 13.5984 0.00000
11 13.5984 0.00000
12 16.8288 0.00000

k-point 32 : 0.2541 0.2541 0.2541

band No. band energies occupation
1 -7.9619 1.00000
2 0.1121 1.00000
3 4.1370 1.00000
4 4.1370 1.00000
5 6.4364 0.00000
6 9.0183 0.00000
7 9.0183 0.00000
8 11.8885 0.00000
9 13.4321 0.00000
10 13.6399 0.00000
11 13.6399 0.00000
12 17.0286 0.00000

k-point 33 : 0.2623 0.2623 0.2623

band No. band energies occupation
1 -7.9059 1.00000
2 -0.0558 1.00000
3 4.0999 1.00000
4 4.0999 1.00000
5 6.4041 0.00000
6 9.0377 0.00000
7 9.0377 0.00000
8 12.0370 0.00000
9 13.4027 0.00000
10 13.6891 0.00000
11 13.6891 0.00000
12 17.2329 0.00000

k-point 34 : 0.2705 0.2705 0.2705

band No. band energies occupation
1 -7.8485 1.00000
2 -0.2217 1.00000
3 4.0637 1.00000
 4 4.0637 1.00000
5 6.3726 0.00000
6 9.0537 0.00000
7 9.0537 0.00000
8 12.1793 0.00000
9 13.3790 0.00000
10 13.7458 0.00000
11 13.7458 0.00000
12 17.4405 0.00000

k-point 35 : 0.2787 0.2787 0.2787

band No. band energies occupation
1 -7.7898 1.00000
2 -0.3854 1.00000
3 4.0287 1.00000
4 4.0287 1.00000
5 6.3421 0.00000
6 9.0666 0.00000
7 9.0666 0.00000
8 12.3120 0.00000
9 13.3650 0.00000
10 13.8100 0.00000
11 13.8100 0.00000
12 17.6511 0.00000

k-point 36 : 0.2869 0.2869 0.2869

band No. band energies occupation
1 -7.7297 1.00000
2 -0.5468 1.00000
3 3.9947 1.00000
4 3.9947 1.00000
5 6.3125 0.00000
6 9.0765 0.00000
7 9.0765 0.00000
8 12.4303 0.00000
9 13.3659 0.00000
10 13.8814 0.00000
11 13.8814 0.00000
12 17.8610 0.00000

k-point 37 : 0.2951 0.2951 0.2951

band No. band energies occupation
1 -7.6684 1.00000
2 -0.7058 1.00000
3 3.9618 1.00000
4 3.9618 1.00000
5 6.2839 0.00000
6 9.0835 0.00000
7 9.0835 0.00000
8 12.5281 0.00000
9 13.3883 0.00000
10 13.9597 0.00000
11 13.9597 0.00000
12 18.0700 0.00000

k-point 38 : 0.3033 0.3033 0.3033

band No. band energies occupation
1 -7.6060 1.00000
2 -0.8623 1.00000
 3 3.9301 1.00000
4 3.9301 1.00000
5 6.2563 0.00000
6 9.0880 0.00000
7 9.0880 0.00000
8 12.5998 0.00000
9 13.4382 0.00000
10 14.0448 0.00000
11 14.0448 0.00000
12 18.2763 0.00000

k-point 39 : 0.3115 0.3115 0.3115

band No. band energies occupation
1 -7.5425 1.00000
2 -1.0162 1.00000
3 3.8996 1.00000
4 3.8996 1.00000
5 6.2298 0.00000
6 9.0901 0.00000
7 9.0901 0.00000
8 12.6435 0.00000
9 13.5177 0.00000
10 14.1364 0.00000
11 14.1364 0.00000
12 18.4781 0.00000

k-point 40 : 0.3197 0.3197 0.3197

band No. band energies occupation
1 -7.4781 1.00000
2 -1.1673 1.00000
3 3.8702 1.00000
4 3.8702 1.00000
5 6.2043 0.00000
6 9.0902 0.00000
7 9.0902 0.00000
8 12.6627 0.00000
9 13.6235 0.00000
10 14.2341 0.00000
11 14.2341 0.00000
12 18.6732 0.00000

k-point 41 : 0.3279 0.3279 0.3279

band No. band energies occupation
1 -7.4129 1.00000
2 -1.3156 1.00000
3 3.8421 1.00000
4 3.8421 1.00000
5 6.1799 0.00000
6 9.0883 0.00000
7 9.0883 0.00000
8 12.6637 0.00000
9 13.7496 0.00000
10 14.3377 0.00000
11 14.3377 0.00000
12 18.8588 0.00000

k-point 42 : 0.3361 0.3361 0.3361

band No. band energies occupation
1 -7.3470 1.00000
 2 -1.4608 1.00000
3 3.8152 1.00000
4 3.8152 1.00000
5 6.1565 0.00000
6 9.0849 0.00000
7 9.0849 0.00000
8 12.6527 0.00000
9 13.8899 0.00000
10 14.4470 0.00000
11 14.4470 0.00000
12 19.0317 0.00000

k-point 43 : 0.3443 0.3443 0.3443

band No. band energies occupation
1 -7.2806 1.00000
2 -1.6028 1.00000
3 3.7895 1.00000
4 3.7895 1.00000
5 6.1343 0.00000
6 9.0801 0.00000
7 9.0801 0.00000
8 12.6341 0.00000
9 14.0400 0.00000
10 14.5616 0.00000
11 14.5616 0.00000
12 19.1882 0.00000

k-point 44 : 0.3525 0.3525 0.3525

band No. band energies occupation
1 -7.2138 1.00000
2 -1.7414 1.00000
3 3.7651 1.00000
4 3.7651 1.00000
5 6.1131 0.00000
6 9.0742 0.00000
7 9.0742 0.00000
8 12.6111 0.00000
9 14.1970 0.00000
10 14.6813 0.00000
11 14.6813 0.00000
12 19.3241 0.00000

k-point 45 : 0.3607 0.3607 0.3607

band No. band energies occupation
1 -7.1468 1.00000
2 -1.8763 1.00000
3 3.7419 1.00000
4 3.7419 1.00000
5 6.0931 0.00000
6 9.0675 0.00000
7 9.0675 0.00000
8 12.5856 0.00000
9 14.3587 0.00000
10 14.8064 0.00000
11 14.8064 0.00000
12 19.4350 0.00000

k-point 46 : 0.3689 0.3689 0.3689

band No. band energies occupation
 1 -7.0799 1.00000
2 -2.0074 1.00000
3 3.7200 1.00000
4 3.7200 1.00000
5 6.0742 0.00000
6 9.0600 0.00000
7 9.0600 0.00000
8 12.5590 0.00000
9 14.5239 0.00000
10 14.9354 0.00000
11 14.9354 0.00000
12 19.5168 0.00000

k-point 47 : 0.3770 0.3770 0.3770

band No. band energies occupation
1 -7.0133 1.00000
2 -2.1344 1.00000
3 3.6994 1.00000
4 3.6994 1.00000
5 6.0565 0.00000
6 9.0520 0.00000
7 9.0520 0.00000
8 12.5321 0.00000
9 14.6916 0.00000
10 15.0687 0.00000
11 15.0687 0.00000
12 19.5664 0.00000

k-point 48 : 0.3852 0.3852 0.3852

band No. band energies occupation
1 -6.9473 1.00000
2 -2.2570 1.00000
3 3.6801 1.00000
4 3.6801 1.00000
5 6.0398 0.00000
6 9.0438 0.00000
7 9.0438 0.00000
8 12.5057 0.00000
9 14.8611 0.00000
10 15.2061 0.00000
11 15.2061 0.00000
12 19.5829 0.00000

k-point 49 : 0.3934 0.3934 0.3934

band No. band energies occupation
1 -6.8822 1.00000
2 -2.3747 1.00000
3 3.6621 1.00000
4 3.6621 1.00000
5 6.0243 0.00000
6 9.0354 0.00000
7 9.0354 0.00000
8 12.4801 0.00000
9 15.0318 0.00000
10 15.3472 0.00000
11 15.3472 0.00000
12 19.5669 0.00000

k-point 50 : 0.4016 0.4016 0.4016

 band No. band energies occupation
1 -6.8185 1.00000
2 -2.4873 1.00000
3 3.6454 1.00000
4 3.6454 1.00000
5 6.0099 0.00000
6 9.0270 0.00000
7 9.0270 0.00000
8 12.4556 0.00000
9 15.2031 0.00000
10 15.4918 0.00000
11 15.4918 0.00000
12 19.5214 0.00000

k-point 51 : 0.4098 0.4098 0.4098

band No. band energies occupation
1 -6.7565 1.00000
2 -2.5942 1.00000
3 3.6301 1.00000
4 3.6301 1.00000
5 5.9967 0.00000
6 9.0188 0.00000
7 9.0188 0.00000
8 12.4326 0.00000
9 15.3746 0.00000
10 15.6396 0.00000
11 15.6396 0.00000
12 19.4498 0.00000

k-point 52 : 0.4180 0.4180 0.4180

band No. band energies occupation
1 -6.6967 1.00000
2 -2.6951 1.00000
3 3.6160 1.00000
4 3.6160 1.00000
5 5.9846 0.00000
6 9.0109 0.00000
7 9.0109 0.00000
8 12.4111 0.00000
9 15.5455 0.00000
10 15.7904 0.00000
11 15.7904 0.00000
12 19.3594 0.00000

k-point 53 : 0.4262 0.4262 0.4262

band No. band energies occupation
1 -6.6397 1.00000
2 -2.7893 1.00000
3 3.6033 1.00000
4 3.6033 1.00000
5 5.9737 0.00000
6 9.0034 0.00000
7 9.0034 0.00000
8 12.3914 0.00000
9 15.7152 0.00000
10 15.9436 0.00000
11 15.9436 0.00000
12 19.2506 0.00000
k-point 54 : 0.4344 0.4344 0.4344
band No. band energies occupation
1 -6.5861 1.00000
2 -2.8762 1.00000
3 3.5919 1.00000
4 3.5919 1.00000
5 5.9639 0.00000
6 8.9965 0.00000
7 8.9965 0.00000
8 12.3737 0.00000
9 15.8832 0.00000
10 16.0996 0.00000
11 16.0996 0.00000
12 19.1348 0.00000

k-point 55 : 0.4426 0.4426 0.4426

band No. band energies occupation
1 -6.5365 1.00000
2 -2.9552 1.00000
3 3.5819 1.00000
4 3.5819 1.00000
5 5.9553 0.00000
6 8.9902 0.00000
7 8.9902 0.00000
8 12.3578 0.00000
9 16.0473 0.00000
10 16.2565 0.00000
11 16.2565 0.00000
12 18.9801 0.00000

k-point 56 : 0.4508 0.4508 0.4508

band No. band energies occupation
1 -6.4915 1.00000
2 -3.0257 1.00000
3 3.5731 1.00000
4 3.5731 1.00000
5 5.9478 0.00000
6 8.9845 0.00000
7 8.9845 0.00000
8 12.3439 0.00000
9 16.2062 0.00000
10 16.4139 0.00000
11 16.4139 0.00000
12 18.7896 0.00000

k-point 57 : 0.4590 0.4590 0.4590

band No. band energies occupation
1 -6.4519 1.00000
2 -3.0869 1.00000
3 3.5658 1.00000
4 3.5658 1.00000
5 5.9414 0.00000
6 8.9796 0.00000
7 8.9796 0.00000
8 12.3320 0.00000
9 16.3575 0.00000
10 16.5705 0.00000
11 16.5705 0.00000
12 18.6060 0.00000
k-point 58 : 0.4672 0.4672 0.4672
band No. band energies occupation
1 -6.4183 1.00000
2 -3.1382 1.00000
3 3.5597 1.00000
4 3.5597 1.00000
5 5.9362 0.00000
6 8.9755 0.00000
7 8.9755 0.00000
8 12.3222 0.00000
9 16.4973 0.00000
10 16.7240 0.00000
11 16.7240 0.00000
12 18.4305 0.00000

k-point 59 : 0.4754 0.4754 0.4754

band No. band energies occupation
1 -6.3914 1.00000
2 -3.1788 1.00000
3 3.5550 1.00000
4 3.5550 1.00000
5 5.9322 0.00000
6 8.9723 0.00000
7 8.9723 0.00000
8 12.3146 0.00000
9 16.6204 0.00000
10 16.8701 0.00000
11 16.8701 0.00000
12 18.2673 0.00000

k-point 60 : 0.4836 0.4836 0.4836

band No. band energies occupation
1 -6.3718 1.00000
2 -3.2083 1.00000
3 3.5516 1.00000
4 3.5516 1.00000
5 5.9293 0.00000
6 8.9700 0.00000
7 8.9700 0.00000
8 12.3091 0.00000
9 16.7192 0.00000
10 17.0001 0.00000
11 17.0001 0.00000
12 18.1251 0.00000

k-point 61 : 0.4918 0.4918 0.4918

band No. band energies occupation
1 -6.3598 1.00000
2 -3.2262 1.00000
3 3.5496 1.00000
4 3.5496 1.00000
5 5.9276 0.00000
6 8.9686 0.00000
7 8.9686 0.00000
8 12.3059 0.00000
9 16.7845 0.00000
10 17.0971 0.00000
11 17.0971 0.00000
 12 18.0208 0.00000

k-point 62 : 0.5000 0.5000 0.5000

band No. band energies occupation
1 -6.3558 1.00000
2 -3.2321 1.00000
3 3.5489 1.00000
4 3.5489 1.00000
5 5.9270 0.00000
6 8.9681 0.00000
7 8.9681 0.00000
8 12.3048 0.00000
9 16.8075 0.00000
10 17.1347 0.00000
11 17.1347 0.00000
12 17.9808 0.00000

k-point 63 : 0.5000 0.4950 0.5050

band No. band energies occupation
1 -6.3548 1.00000
2 -3.2317 1.00000
3 3.5368 1.00000
4 3.5470 1.00000
5 5.9386 0.00000
6 8.9650 0.00000
7 8.9719 0.00000
8 12.3115 0.00000
9 16.7865 0.00000
10 17.1096 0.00000
11 17.1243 0.00000
12 17.9935 0.00000

k-point 64 : 0.5000 0.4900 0.5100

band No. band energies occupation
1 -6.3519 1.00000
2 -3.2304 1.00000
3 3.5013 1.00000
4 3.5411 1.00000
5 5.9725 0.00000
6 8.9560 0.00000
7 8.9835 0.00000
8 12.3314 0.00000
9 16.7231 0.00000
10 17.0412 0.00000
11 17.1035 0.00000
12 18.0213 0.00000

k-point 65 : 0.5000 0.4850 0.5150

band No. band energies occupation
1 -6.3472 1.00000
2 -3.2283 1.00000
3 3.4444 1.00000
4 3.5312 1.00000
5 6.0265 0.00000
6 8.9412 0.00000
7 9.0028 0.00000
8 12.3641 0.00000
9 16.6216 0.00000
10 16.9437 0.00000
 11 17.0872 0.00000
12 18.0506 0.00000

k-point 66 : 0.5000 0.4800 0.5200

band No. band energies occupation
1 -6.3405 1.00000
2 -3.2253 1.00000
3 3.3691 1.00000
4 3.5175 1.00000
5 6.0975 0.00000
6 8.9214 0.00000
7 9.0301 0.00000
8 12.4088 0.00000
9 16.4932 0.00000
10 16.8293 0.00000
11 17.0795 0.00000
12 18.0737 0.00000

k-point 67 : 0.5000 0.4750 0.5250

band No. band energies occupation
1 -6.3320 1.00000
2 -3.2215 1.00000
3 3.2785 1.00000
4 3.4998 1.00000
5 6.1822 0.00000
6 8.8972 0.00000
7 9.0655 0.00000
8 12.4645 0.00000
9 16.3483 0.00000
10 16.7060 0.00000
11 17.0785 0.00000
12 18.0909 0.00000

k-point 68 : 0.5000 0.4700 0.5300

band No. band energies occupation
1 -6.3215 1.00000
2 -3.2170 1.00000
3 3.1758 1.00000
4 3.4782 1.00000
5 6.2773 0.00000
6 8.8695 0.00000
7 9.1094 0.00000
8 12.5298 0.00000
9 16.1940 0.00000
10 16.5789 0.00000
11 17.0822 0.00000
12 18.1043 0.00000

k-point 69 : 0.5000 0.4650 0.5350

band No. band energies occupation
1 -6.3091 1.00000
2 -3.2117 1.00000
3 3.0635 1.00000
4 3.4526 1.00000
5 6.3797 0.00000
6 8.8390 0.00000
7 9.1620 0.00000
8 12.6032 0.00000
9 16.0343 0.00000
 10 16.4514 0.00000
11 17.0893 0.00000
12 18.1157 0.00000

k-point 70 : 0.5000 0.4600 0.5400

band No. band energies occupation
1 -6.2949 1.00000
2 -3.2057 1.00000
3 2.9441 1.00000
4 3.4233 1.00000
5 6.4868 0.00000
6 8.8069 0.00000
7 9.2237 0.00000
8 12.6833 0.00000
9 15.8717 0.00000
10 16.3260 0.00000
11 17.0991 0.00000
12 18.1261 0.00000

k-point 71 : 0.5000 0.4550 0.5450

band No. band energies occupation
1 -6.2787 1.00000
2 -3.1991 1.00000
3 2.8195 1.00000
4 3.3901 1.00000
5 6.5966 0.00000
6 8.7738 0.00000
7 9.2947 0.00000
8 12.7680 0.00000
9 15.7073 0.00000
10 16.2043 0.00000
11 17.1112 0.00000
12 18.1361 0.00000

k-point 72 : 0.5000 0.4500 0.5500

band No. band energies occupation
1 -6.2607 1.00000
2 -3.1919 1.00000
3 2.6911 1.00000
4 3.3531 1.00000
5 6.7072 0.00000
6 8.7406 0.00000
7 9.3753 0.00000
8 12.8553 0.00000
9 15.5429 0.00000
10 16.0893 0.00000
11 17.1254 0.00000
12 18.1462 0.00000

k-point 73 : 0.5000 0.4450 0.5550

band No. band energies occupation
1 -6.2408 1.00000
2 -3.1842 1.00000
3 2.5603 1.00000
4 3.3125 1.00000
5 6.8172 0.00000
6 8.7081 0.00000
7 9.4658 0.00000
8 12.9428 0.00000
 9 15.3786 0.00000
10 15.9827 0.00000
11 17.1415 0.00000
12 18.1565 0.00000

k-point 74 : 0.5000 0.4400 0.5600

band No. band energies occupation
1 -6.2190 1.00000
2 -3.1761 1.00000
3 2.4280 1.00000
4 3.2681 1.00000
5 6.9255 0.00000
6 8.6769 0.00000
7 9.5662 0.00000
8 13.0278 0.00000
9 15.2151 0.00000
10 15.8869 0.00000
11 17.1594 0.00000
12 18.1672 0.00000

k-point 75 : 0.5000 0.4350 0.5650

band No. band energies occupation
1 -6.1953 1.00000
2 -3.1678 1.00000
3 2.2951 1.00000
4 3.2202 1.00000
5 7.0313 0.00000
6 8.6474 0.00000
7 9.6765 0.00000
8 13.1071 0.00000
9 15.0525 0.00000
10 15.8045 0.00000
11 17.1790 0.00000
12 18.1783 0.00000

k-point 76 : 0.5000 0.4300 0.5700

band No. band energies occupation
1 -6.1698 1.00000
2 -3.1592 1.00000
3 2.1623 1.00000
4 3.1688 1.00000
5 7.1339 0.00000
6 8.6204 0.00000
7 9.7966 0.00000
8 13.1773 0.00000
9 14.8913 0.00000
10 15.7387 0.00000
11 17.2003 0.00000
12 18.1899 0.00000

k-point 77 : 0.5000 0.4250 0.5750

band No. band energies occupation
1 -6.1424 1.00000
2 -3.1505 1.00000
3 2.0303 1.00000
4 3.1141 1.00000
5 7.2331 0.00000
6 8.5960 0.00000
7 9.9262 0.00000
 8 13.2347 0.00000
9 14.7317 0.00000
10 15.6927 0.00000
11 17.2232 0.00000
12 18.2019 0.00000

k-point 78 : 0.5000 0.4200 0.5800

band No. band energies occupation
1 -6.1131 1.00000
2 -3.1420 1.00000
3 1.8996 1.00000
4 3.0561 1.00000
5 7.3288 0.00000
6 8.5748 0.00000
7 10.0649 0.00000
8 13.2759 0.00000
9 14.5738 0.00000
10 15.6696 0.00000
11 17.2478 0.00000
12 18.2143 0.00000

k-point 79 : 0.5000 0.4150 0.5850

band No. band energies occupation
1 -6.0821 1.00000
2 -3.1336 1.00000
3 1.7706 1.00000
4 2.9950 1.00000
5 7.4209 0.00000
6 8.5570 0.00000
7 10.2122 0.00000
8 13.2981 0.00000
9 14.4181 0.00000
10 15.6718 0.00000
11 17.2738 0.00000
12 18.2273 0.00000

k-point 80 : 0.5000 0.4100 0.5900

band No. band energies occupation
1 -6.0491 1.00000
2 -3.1257 1.00000
3 1.6440 1.00000
4 2.9310 1.00000
5 7.5096 0.00000
6 8.5427 0.00000
7 10.3673 0.00000
8 13.2999 0.00000
9 14.2647 0.00000
10 15.7005 0.00000
11 17.3015 0.00000
12 18.2406 0.00000

k-point 81 : 0.5000 0.4050 0.5950

band No. band energies occupation
1 -6.0144 1.00000
2 -3.1183 1.00000
3 1.5200 1.00000
4 2.8643 1.00000
5 7.5953 0.00000
6 8.5323 0.00000
 7 10.5299 0.00000
8 13.2811 0.00000
9 14.1140 0.00000
10 15.7557 0.00000
11 17.3306 0.00000
12 18.2543 0.00000

k-point 82 : 0.5000 0.4000 0.6000

band No. band energies occupation
1 -5.9779 1.00000
2 -3.1117 1.00000
3 1.3990 1.00000
4 2.7949 1.00000
5 7.6782 0.00000
6 8.5256 0.00000
7 10.6981 0.00000
8 13.2429 0.00000
9 13.9662 0.00000
10 15.8354 0.00000
11 17.3612 0.00000
12 18.2684 0.00000

k-point 83 : 0.5000 0.3950 0.6050

band No. band energies occupation
1 -5.9395 1.00000
2 -3.1061 1.00000
3 1.2815 1.00000
4 2.7231 1.00000
5 7.7586 0.00000
6 8.5230 0.00000
7 10.8714 0.00000
8 13.1876 0.00000
9 13.8223 0.00000
10 15.9372 0.00000
11 17.3933 0.00000
12 18.2829 0.00000

k-point 84 : 0.5000 0.3900 0.6100

band No. band energies occupation
1 -5.8994 1.00000
2 -3.1017 1.00000
3 1.1679 1.00000
4 2.6491 1.00000
5 7.8370 0.00000
6 8.5244 0.00000
7 11.0483 0.00000
8 13.1181 0.00000
9 13.6830 0.00000
10 16.0581 0.00000
11 17.4268 0.00000
12 18.2978 0.00000

k-point 85 : 0.5000 0.3850 0.6150

band No. band energies occupation
1 -5.8575 1.00000
2 -3.0989 1.00000
3 1.0585 1.00000
4 2.5732 1.00000
5 7.9137 0.00000
 6 8.5298 0.00000
7 11.2269 0.00000
8 13.0368 0.00000
9 13.5497 0.00000
10 16.1949 0.00000
11 17.4618 0.00000
12 18.3131 0.00000

k-point 86 : 0.5000 0.3800 0.6200

band No. band energies occupation
1 -5.8138 1.00000
2 -3.0978 1.00000
3 0.9537 1.00000
4 2.4954 1.00000
5 7.9892 0.00000
6 8.5394 0.00000
7 11.4048 0.00000
8 12.9463 0.00000
9 13.4243 0.00000
10 16.3452 0.00000
11 17.4982 0.00000
12 18.3290 0.00000

k-point 87 : 0.5000 0.3750 0.6250

band No. band energies occupation
1 -5.7684 1.00000
2 -3.0987 1.00000
3 0.8539 1.00000
4 2.4161 1.00000
5 8.0636 0.00000
6 8.5530 0.00000
7 11.5781 0.00000
8 12.8486 0.00000
9 13.3103 0.00000
10 16.5058 0.00000
11 17.5359 0.00000
12 18.3455 0.00000

k-point 88 : 0.5000 0.3700 0.6300

band No. band energies occupation
1 -5.7213 1.00000
2 -3.1020 1.00000
3 0.7594 1.00000
4 2.3353 1.00000
5 8.1372 0.00000
6 8.5705 0.00000
7 11.7403 0.00000
8 12.7454 0.00000
9 13.2137 0.00000
10 16.6748 0.00000
11 17.5750 0.00000
12 18.3629 0.00000

k-point 89 : 0.5000 0.3650 0.6350

band No. band energies occupation
1 -5.6725 1.00000
2 -3.1079 1.00000
3 0.6706 1.00000
4 2.2533 1.00000
 5 8.2105 0.00000
6 8.5919 0.00000
7 11.8813 0.00000
8 12.6380 0.00000
9 13.1442 0.00000
10 16.8499 0.00000
11 17.6155 0.00000
12 18.3818 0.00000

k-point 90 : 0.5000 0.3600 0.6400

band No. band energies occupation
1 -5.6221 1.00000
2 -3.1168 1.00000
3 0.5879 1.00000
4 2.1704 1.00000
5 8.2836 0.00000
6 8.6173 0.00000
7 11.9860 0.00000
8 12.5276 0.00000
9 13.1166 0.00000
10 17.0288 0.00000
11 17.6573 0.00000
12 18.4030 0.00000

k-point 91 : 0.5000 0.3550 0.6450

band No. band energies occupation
1 -5.5699 1.00000
2 -3.1288 1.00000
3 0.5116 1.00000
4 2.0867 1.00000
5 8.3567 0.00000
6 8.6464 0.00000
7 12.0391 0.00000
8 12.4150 0.00000
9 13.1458 0.00000
10 17.2089 0.00000
11 17.7004 0.00000
12 18.4277 0.00000

k-point 92 : 0.5000 0.3500 0.6500

band No. band energies occupation
1 -5.5162 1.00000
2 -3.1443 1.00000
3 0.4419 1.00000
4 2.0024 1.00000
5 8.4301 0.00000
6 8.6793 0.00000
7 12.0365 0.00000
8 12.3008 0.00000
9 13.2357 0.00000
10 17.3868 0.00000
11 17.7449 0.00000
12 18.4582 0.00000

k-point 93 : 0.5000 0.3450 0.6550

band No. band energies occupation
1 -5.4609 1.00000
2 -3.1635 1.00000
3 0.3792 1.00000
 4 1.9177 1.00000
5 8.5038 0.00000
6 8.7158 0.00000
7 11.9893 0.00000
8 12.1856 0.00000
9 13.3747 0.00000
10 17.5577 0.00000
11 17.7906 0.00000
12 18.4980 0.00000

k-point 94 : 0.5000 0.3400 0.6600

band No. band energies occupation
1 -5.4040 1.00000
2 -3.1865 1.00000
3 0.3237 1.00000
4 1.8328 1.00000
5 8.5781 0.00000
6 8.7559 0.00000
7 11.9130 0.00000
8 12.0699 0.00000
9 13.5470 0.00000
10 17.7148 0.00000
11 17.8377 0.00000
12 18.5533 0.00000

k-point 95 : 0.5000 0.3350 0.6650

band No. band energies occupation
1 -5.3457 1.00000
2 -3.2136 1.00000
3 0.2755 1.00000
4 1.7479 1.00000
5 8.6532 0.00000
6 8.7994 0.00000
7 11.8197 0.00000
8 11.9541 0.00000
9 13.7405 0.00000
10 17.8495 0.00000
11 17.8862 0.00000
12 18.6311 0.00000

k-point 96 : 0.5000 0.3300 0.6700

band No. band energies occupation
1 -5.2858 1.00000
2 -3.2448 1.00000
3 0.2348 1.00000
4 1.6632 1.00000
5 8.7290 0.00000
6 8.8464 0.00000
7 11.7165 0.00000
8 11.8383 0.00000
9 13.9473 0.00000
10 17.9360 0.00000
11 17.9543 0.00000
12 18.7381 0.00000

k-point 97 : 0.5000 0.3250 0.6750

band No. band energies occupation
1 -5.2245 1.00000
2 -3.2801 1.00000
 3 0.2016 1.00000
4 1.5789 1.00000
5 8.8059 0.00000
6 8.8970 0.00000
7 11.6079 0.00000
8 11.7229 0.00000
9 14.1631 0.00000
10 17.9875 0.00000
11 18.0271 0.00000
12 18.8749 0.00000

k-point 98 : 0.5000 0.3200 0.6800

band No. band energies occupation
1 -5.1618 1.00000
2 -3.3195 1.00000
3 0.1758 1.00000
4 1.4951 1.00000
5 8.8837 0.00000
6 8.9505 0.00000
7 11.4963 0.00000
8 11.6080 0.00000
9 14.3847 0.00000
10 18.0403 0.00000
11 18.0723 0.00000
12 19.0352 0.00000

k-point 99 : 0.5000 0.3150 0.6850

band No. band energies occupation
1 -5.0979 1.00000
2 -3.3629 1.00000
3 0.1574 1.00000
4 1.4120 1.00000
5 8.9625 0.00000
6 9.0073 0.00000
7 11.3833 0.00000
8 11.4939 0.00000
9 14.6103 0.00000
10 18.0948 0.00000
11 18.0964 0.00000
12 19.2101 0.00000

k-point 100 : 0.5000 0.3100 0.6900

band No. band energies occupation
1 -5.0326 1.00000
2 -3.4102 1.00000
3 0.1463 1.00000
4 1.3298 1.00000
5 9.0424 0.00000
6 9.0671 0.00000
7 11.2700 0.00000
8 11.3805 0.00000
9 14.8384 0.00000
10 18.1048 0.00000
11 18.1512 0.00000
12 19.3911 0.00000

k-point 101 : 0.5000 0.3050 0.6950

band No. band energies occupation
1 -4.9661 1.00000
 2 -3.4611 1.00000
3 0.1422 1.00000
4 1.2487 1.00000
5 9.1235 0.00000
6 9.1300 0.00000
7 11.1570 0.00000
8 11.2682 0.00000
9 15.0679 0.00000
10 18.1009 0.00000
11 18.2096 0.00000
12 19.5697 0.00000

k-point 102 : 0.5000 0.3000 0.7000

band No. band energies occupation
1 -4.8986 1.00000
2 -3.5154 1.00000
3 0.1449 1.00000
4 1.1688 1.00000
5 9.1958 0.00000
6 9.2059 0.00000
7 11.0448 0.00000
8 11.1569 0.00000
9 15.2977 0.00000
10 18.0867 0.00000
11 18.2703 0.00000
12 19.7359 0.00000

k-point 103 : 0.5000 0.2950 0.7050

band No. band energies occupation
1 -4.8299 1.00000
2 -3.5730 1.00000
3 0.1541 1.00000
4 1.0903 1.00000
5 9.2645 0.00000
6 9.2895 0.00000
7 10.9338 0.00000
8 11.0468 0.00000
9 15.5268 0.00000
10 18.0629 0.00000
11 18.3338 0.00000
12 19.8762 0.00000

k-point 104 : 0.5000 0.2900 0.7100

band No. band energies occupation
1 -4.7603 1.00000
2 -3.6333 1.00000
3 0.1696 1.00000
4 1.0134 1.00000
5 9.3360 0.00000
6 9.3744 0.00000
7 10.8242 0.00000
8 10.9380 0.00000
9 15.7547 0.00000
10 18.0298 0.00000
11 18.4006 0.00000
12 19.9720 0.00000

k-point 105 : 0.5000 0.2850 0.7150

band No. band energies occupation
 1 -4.6899 1.00000
2 -3.6962 1.00000
3 0.1908 1.00000
4 0.9383 1.00000
5 9.4101 0.00000
6 9.4606 0.00000
7 10.7160 0.00000
8 10.8301 0.00000
9 15.9790 0.00000
10 17.9869 0.00000
11 18.4714 0.00000
12 20.0035 0.00000

k-point 106 : 0.5000 0.2800 0.7200

band No. band energies occupation
1 -4.6186 1.00000
2 -3.7614 1.00000
3 0.2177 1.00000
4 0.8651 1.00000
5 9.4869 0.00000
6 9.5480 0.00000
7 10.6099 0.00000
8 10.7240 0.00000
9 16.1990 0.00000
10 17.9337 0.00000
11 18.5468 0.00000
12 19.9648 0.00000

k-point 107 : 0.5000 0.2750 0.7250

band No. band energies occupation
1 -4.5468 1.00000
2 -3.8285 1.00000
3 0.2499 1.00000
4 0.7941 1.00000
5 9.5662 0.00000
6 9.6365 0.00000
7 10.5059 0.00000
8 10.6193 0.00000
9 16.4131 0.00000
10 17.8690 0.00000
11 18.6280 0.00000
12 19.8697 0.00000

k-point 108 : 0.5000 0.2700 0.7300

band No. band energies occupation
1 -4.4744 1.00000
2 -3.8972 1.00000
3 0.2870 1.00000
4 0.7254 1.00000
5 9.6478 0.00000
6 9.7260 0.00000
7 10.4042 0.00000
8 10.5162 0.00000
9 16.6195 0.00000
10 17.7915 0.00000
11 18.7162 0.00000
12 19.7403 0.00000

k-point 109 : 0.5000 0.2650 0.7350

band No. band energies occupation
1 -4.4016 1.00000
2 -3.9672 1.00000
3 0.3286 1.00000
4 0.6592 1.00000
5 9.7314 0.00000
6 9.8160 0.00000
7 10.3054 0.00000
8 10.4148 0.00000
9 16.8164 0.00000
10 17.6999 0.00000
11 18.8126 0.00000
12 19.5948 0.00000

k-point 110 : 0.5000 0.2600 0.7400

band No. band energies occupation
1 -4.3287 1.00000
2 -4.0384 1.00000
3 0.3746 1.00000
4 0.5958 1.00000
5 9.8166 0.00000
6 9.9044 0.00000
7 10.2118 0.00000
8 10.3161 0.00000
9 17.0016 0.00000
10 17.5929 0.00000
11 18.9185 0.00000
12 19.4454 0.00000

k-point 111 : 0.5000 0.2550 0.7450

band No. band energies occupation
1 -4.2557 1.00000
2 -4.1103 1.00000
3 0.4245 1.00000
4 0.5354 1.00000
5 9.9015 0.00000
6 9.9801 0.00000
7 10.1346 0.00000
8 10.2214 0.00000
9 17.1733 0.00000
10 17.4696 0.00000
11 19.0349 0.00000
12 19.2998 0.00000

k-point 112 : 0.5000 0.2500 0.7500

band No. band energies occupation
1 -4.1828 1.00000
2 -4.1828 1.00000
3 0.4782 1.00000
4 0.4782 1.00000
5 9.9766 0.00000
6 9.9766 0.00000
7 10.1403 0.00000
8 10.1403 0.00000
9 17.3296 0.00000
10 17.3296 0.00000
11 19.1622 0.00000
12 19.1622 0.00000
k-point 113 : 0.5000 0.2431 0.7431
band No. band energies occupation
1 -4.1831 1.00000
2 -4.1831 1.00000
3 0.4799 1.00000
4 0.4799 1.00000
5 9.8555 0.00000
6 9.8555 0.00000
7 10.2633 0.00000
8 10.2633 0.00000
9 17.3295 0.00000
10 17.3295 0.00000
11 19.1617 0.00000
12 19.1617 0.00000

k-point 114 : 0.5000 0.2361 0.7361

band No. band energies occupation
1 -4.1841 1.00000
2 -4.1841 1.00000
3 0.4847 1.00000
4 0.4847 1.00000
5 9.6800 0.00000
6 9.6800 0.00000
7 10.4444 0.00000
8 10.4444 0.00000
9 17.3291 0.00000
10 17.3291 0.00000
11 19.1603 0.00000
12 19.1603 0.00000

k-point 115 : 0.5000 0.2292 0.7292

band No. band energies occupation
1 -4.1857 1.00000
2 -4.1857 1.00000
3 0.4927 1.00000
4 0.4927 1.00000
5 9.5012 0.00000
6 9.5012 0.00000
7 10.6327 0.00000
8 10.6327 0.00000
9 17.3284 0.00000
10 17.3284 0.00000
11 19.1579 0.00000
12 19.1579 0.00000

k-point 116 : 0.5000 0.2222 0.7222

band No. band energies occupation
1 -4.1879 1.00000
2 -4.1879 1.00000
3 0.5038 1.00000
4 0.5038 1.00000
5 9.3231 0.00000
6 9.3231 0.00000
7 10.8240 0.00000
8 10.8240 0.00000
9 17.3275 0.00000
10 17.3275 0.00000
11 19.1546 0.00000
12 19.1546 0.00000
k-point 117 : 0.5000 0.2153 0.7153
band No. band energies occupation
1 -4.1907 1.00000
2 -4.1907 1.00000
3 0.5182 1.00000
4 0.5182 1.00000
5 9.1466 0.00000
6 9.1466 0.00000
7 11.0179 0.00000
8 11.0179 0.00000
9 17.3265 0.00000
10 17.3265 0.00000
11 19.1504 0.00000
12 19.1504 0.00000

k-point 118 : 0.5000 0.2083 0.7083

band No. band energies occupation
1 -4.1941 1.00000
2 -4.1941 1.00000
3 0.5355 1.00000
4 0.5355 1.00000
5 8.9722 0.00000
6 8.9722 0.00000
7 11.2131 0.00000
8 11.2131 0.00000
9 17.3252 0.00000
10 17.3252 0.00000
11 19.1454 0.00000
12 19.1454 0.00000

k-point 119 : 0.5000 0.2014 0.7014

band No. band energies occupation
1 -4.1980 1.00000
2 -4.1980 1.00000
3 0.5558 1.00000
4 0.5558 1.00000
5 8.8001 0.00000
6 8.8001 0.00000
7 11.4098 0.00000
8 11.4098 0.00000
9 17.3239 0.00000
10 17.3239 0.00000
11 19.1396 0.00000
12 19.1396 0.00000

k-point 120 : 0.5000 0.1944 0.6944

band No. band energies occupation
1 -4.2024 1.00000
2 -4.2024 1.00000
3 0.5789 1.00000
4 0.5789 1.00000
5 8.6303 0.00000
6 8.6303 0.00000
7 11.6078 0.00000
8 11.6078 0.00000
9 17.3225 0.00000
10 17.3225 0.00000
11 19.1331 0.00000
 12 19.1331 0.00000

k-point 121 : 0.5000 0.1875 0.6875

band No. band energies occupation
1 -4.2073 1.00000
2 -4.2073 1.00000
3 0.6049 1.00000
4 0.6049 1.00000
5 8.4631 0.00000
6 8.4631 0.00000
7 11.8070 0.00000
8 11.8070 0.00000
9 17.3212 0.00000
10 17.3212 0.00000
11 19.1258 0.00000
12 19.1258 0.00000

k-point 122 : 0.5000 0.1806 0.6806

band No. band energies occupation
1 -4.2126 1.00000
2 -4.2126 1.00000
3 0.6335 1.00000
4 0.6335 1.00000
5 8.2986 0.00000
6 8.2986 0.00000
7 12.0072 0.00000
8 12.0072 0.00000
9 17.3200 0.00000
10 17.3200 0.00000
11 19.1181 0.00000
12 19.1181 0.00000

k-point 123 : 0.5000 0.1736 0.6736

band No. band energies occupation
1 -4.2183 1.00000
2 -4.2183 1.00000
3 0.6646 1.00000
4 0.6646 1.00000
5 8.1367 0.00000
6 8.1367 0.00000
7 12.2084 0.00000
8 12.2084 0.00000
9 17.3190 0.00000
10 17.3190 0.00000
11 19.1097 0.00000
12 19.1097 0.00000

k-point 124 : 0.5000 0.1667 0.6667

band No. band energies occupation
1 -4.2243 1.00000
2 -4.2243 1.00000
3 0.6981 1.00000
4 0.6981 1.00000
5 7.9780 0.00000
6 7.9780 0.00000
7 12.4102 0.00000
8 12.4102 0.00000
9 17.3183 0.00000
10 17.3183 0.00000
 11 19.1010 0.00000
12 19.1010 0.00000

k-point 125 : 0.5000 0.1597 0.6597

band No. band energies occupation
1 -4.2306 1.00000
2 -4.2306 1.00000
3 0.7339 1.00000
4 0.7339 1.00000
5 7.8226 0.00000
6 7.8226 0.00000
7 12.6126 0.00000
8 12.6126 0.00000
9 17.3182 0.00000
10 17.3182 0.00000
11 19.0920 0.00000
12 19.0920 0.00000

k-point 126 : 0.5000 0.1528 0.6528

band No. band energies occupation
1 -4.2371 1.00000
2 -4.2371 1.00000
3 0.7718 1.00000
4 0.7718 1.00000
5 7.6704 0.00000
6 7.6704 0.00000
7 12.8153 0.00000
8 12.8153 0.00000
9 17.3187 0.00000
10 17.3187 0.00000
11 19.0828 0.00000
12 19.0828 0.00000

k-point 127 : 0.5000 0.1458 0.6458

band No. band energies occupation
1 -4.2437 1.00000
2 -4.2437 1.00000
3 0.8115 1.00000
4 0.8115 1.00000
5 7.5217 0.00000
6 7.5217 0.00000
7 13.0182 0.00000
8 13.0182 0.00000
9 17.3201 0.00000
10 17.3201 0.00000
11 19.0733 0.00000
12 19.0733 0.00000

k-point 128 : 0.5000 0.1389 0.6389

band No. band energies occupation
1 -4.2505 1.00000
2 -4.2505 1.00000
3 0.8529 1.00000
4 0.8529 1.00000
5 7.3766 0.00000
6 7.3766 0.00000
7 13.2209 0.00000
8 13.2209 0.00000
9 17.3225 0.00000
 10 17.3225 0.00000
11 19.0637 0.00000
12 19.0637 0.00000

k-point 129 : 0.5000 0.1319 0.6319

band No. band energies occupation
1 -4.2573 1.00000
2 -4.2573 1.00000
3 0.8957 1.00000
4 0.8957 1.00000
5 7.2354 0.00000
6 7.2354 0.00000
7 13.4231 0.00000
8 13.4231 0.00000
9 17.3262 0.00000
10 17.3262 0.00000
11 19.0540 0.00000
12 19.0540 0.00000

k-point 130 : 0.5000 0.1250 0.6250

band No. band energies occupation
1 -4.2641 1.00000
2 -4.2641 1.00000
3 0.9397 1.00000
4 0.9397 1.00000
5 7.0983 0.00000
6 7.0983 0.00000
7 13.6244 0.00000
8 13.6244 0.00000
9 17.3315 0.00000
10 17.3315 0.00000
11 19.0443 0.00000
12 19.0443 0.00000

k-point 131 : 0.5000 0.1181 0.6181

band No. band energies occupation
1 -4.2709 1.00000
2 -4.2709 1.00000
3 0.9847 1.00000
4 0.9847 1.00000
5 6.9654 0.00000
6 6.9654 0.00000
7 13.8245 0.00000
8 13.8245 0.00000
9 17.3387 0.00000
10 17.3387 0.00000
11 19.0346 0.00000
12 19.0346 0.00000

k-point 132 : 0.5000 0.1111 0.6111

band No. band energies occupation
1 -4.2775 1.00000
2 -4.2775 1.00000
3 1.0303 1.00000
4 1.0303 1.00000
5 6.8372 0.00000
6 6.8372 0.00000
7 14.0228 0.00000
8 14.0228 0.00000
 9 17.3484 0.00000
10 17.3484 0.00000
11 19.0249 0.00000
12 19.0249 0.00000

k-point 133 : 0.5000 0.1042 0.6042

band No. band energies occupation
1 -4.2841 1.00000
2 -4.2841 1.00000
3 1.0762 1.00000
4 1.0762 1.00000
5 6.7138 0.00000
6 6.7138 0.00000
7 14.2187 0.00000
8 14.2187 0.00000
9 17.3610 0.00000
10 17.3610 0.00000
11 19.0153 0.00000
12 19.0153 0.00000

k-point 134 : 0.5000 0.0972 0.5972

band No. band energies occupation
1 -4.2904 1.00000
2 -4.2904 1.00000
3 1.1221 1.00000
4 1.1221 1.00000
5 6.5955 0.00000
6 6.5955 0.00000
7 14.4113 0.00000
8 14.4113 0.00000
9 17.3771 0.00000
10 17.3771 0.00000
11 19.0058 0.00000
12 19.0058 0.00000

k-point 135 : 0.5000 0.0903 0.5903

band No. band energies occupation
1 -4.2965 1.00000
2 -4.2965 1.00000
3 1.1677 1.00000
4 1.1677 1.00000
5 6.4827 0.00000
6 6.4827 0.00000
7 14.5998 0.00000
8 14.5998 0.00000
9 17.3975 0.00000
10 17.3975 0.00000
11 18.9963 0.00000
12 18.9963 0.00000

k-point 136 : 0.5000 0.0833 0.5833

band No. band energies occupation
1 -4.3023 1.00000
2 -4.3023 1.00000
3 1.2125 1.00000
4 1.2125 1.00000
5 6.3757 0.00000
6 6.3757 0.00000
7 14.7831 0.00000
 8 14.7831 0.00000
9 17.4232 0.00000
10 17.4232 0.00000
11 18.9867 0.00000
12 18.9867 0.00000

k-point 137 : 0.5000 0.0764 0.5764

band No. band energies occupation
1 -4.3079 1.00000
2 -4.3079 1.00000
3 1.2561 1.00000
4 1.2561 1.00000
5 6.2750 0.00000
6 6.2750 0.00000
7 14.9597 0.00000
8 14.9597 0.00000
9 17.4553 0.00000
10 17.4553 0.00000
11 18.9771 0.00000
12 18.9771 0.00000

k-point 138 : 0.5000 0.0694 0.5694

band No. band energies occupation
1 -4.3130 1.00000
2 -4.3130 1.00000
3 1.2982 1.00000
4 1.2982 1.00000
5 6.1809 0.00000
6 6.1809 0.00000
7 15.1283 0.00000
8 15.1283 0.00000
9 17.4952 0.00000
10 17.4952 0.00000
11 18.9676 0.00000
12 18.9676 0.00000

k-point 139 : 0.5000 0.0625 0.5625

band No. band energies occupation
1 -4.3178 1.00000
2 -4.3178 1.00000
3 1.3382 1.00000
4 1.3382 1.00000
5 6.0939 0.00000
6 6.0939 0.00000
7 15.2868 0.00000
8 15.2868 0.00000
9 17.5440 0.00000
10 17.5440 0.00000
11 18.9570 0.00000
12 18.9570 0.00000

k-point 140 : 0.5000 0.0556 0.5556

band No. band energies occupation
1 -4.3221 1.00000
2 -4.3221 1.00000
3 1.3758 1.00000
4 1.3758 1.00000
5 6.0144 0.00000
6 6.0144 0.00000
 7 15.4334 0.00000
8 15.4334 0.00000
9 17.6034 0.00000
10 17.6034 0.00000
11 18.9453 0.00000
12 18.9453 0.00000

k-point 141 : 0.5000 0.0486 0.5486

band No. band energies occupation
1 -4.3260 1.00000
2 -4.3260 1.00000
3 1.4103 1.00000
4 1.4103 1.00000
5 5.9428 0.00000
6 5.9428 0.00000
7 15.5661 0.00000
8 15.5661 0.00000
9 17.6747 0.00000
10 17.6747 0.00000
11 18.9315 0.00000
12 18.9315 0.00000

k-point 142 : 0.5000 0.0417 0.5417

band No. band energies occupation
1 -4.3295 1.00000
2 -4.3295 1.00000
3 1.4414 1.00000
4 1.4414 1.00000
5 5.8795 0.00000
6 5.8795 0.00000
7 15.6830 0.00000
8 15.6830 0.00000
9 17.7591 0.00000
10 17.7591 0.00000
11 18.9141 0.00000
12 18.9143 0.00000

k-point 143 : 0.5000 0.0347 0.5347

band No. band energies occupation
1 -4.3324 1.00000
2 -4.3324 1.00000
3 1.4686 1.00000
4 1.4686 1.00000
5 5.8252 0.00000
6 5.8252 0.00000
7 15.7829 0.00000
8 15.7829 0.00000
9 17.8571 0.00000
10 17.8571 0.00000
11 18.8906 0.00000
12 18.8907 0.00000

k-point 144 : 0.5000 0.0278 0.5278

band No. band energies occupation
1 -4.3348 1.00000
2 -4.3348 1.00000
3 1.4915 1.00000
4 1.4915 1.00000
5 5.7801 0.00000
 6 5.7801 0.00000
7 15.8647 0.00000
8 15.8647 0.00000
9 17.9682 0.00000
10 17.9682 0.00000
11 18.8562 0.00000
12 18.8563 0.00000

k-point 145 : 0.5000 0.0208 0.5208

band No. band energies occupation
1 -4.3367 1.00000
2 -4.3367 1.00000
3 1.5098 1.00000
4 1.5098 1.00000
5 5.7446 0.00000
6 5.7446 0.00000
7 15.9280 0.00000
8 15.9280 0.00000
9 18.0912 0.00000
10 18.0912 0.00000
11 18.8041 0.00000
12 18.8042 0.00000

k-point 146 : 0.5000 0.0139 0.5139

band No. band energies occupation
1 -4.3381 1.00000
2 -4.3381 1.00000
3 1.5231 1.00000
4 1.5231 1.00000
5 5.7190 0.00000
6 5.7190 0.00000
7 15.9729 0.00000
8 15.9729 0.00000
9 18.2233 0.00000
10 18.2233 0.00000
11 18.7268 0.00000
12 18.7269 0.00000

k-point 147 : 0.5000 0.0069 0.5069

band No. band energies occupation
1 -4.3389 1.00000
2 -4.3389 1.00000
3 1.5312 1.00000
4 1.5312 1.00000
5 5.7036 0.00000
6 5.7036 0.00000
7 15.9999 0.00000
8 15.9999 0.00000
9 18.3605 0.00000
10 18.3605 0.00000
11 18.6221 0.00000
12 18.6221 0.00000

k-point 148 : 0.5000 0.0000 0.5000

band No. band energies occupation
1 -4.3392 1.00000
2 -4.3392 1.00000
3 1.5339 1.00000
4 1.5339 1.00000
 5 5.6985 0.00000
6 5.6985 0.00000
7 16.0088 0.00000
8 16.0088 0.00000
9 18.4897 0.00000
10 18.4904 0.00000
11 18.5035 0.00000
12 18.5041 0.00000

k-point 149 : 0.4930 0.0000 0.4930

band No. band energies occupation
1 -4.4590 1.00000
2 -4.2182 1.00000
3 1.5349 1.00000
4 1.5349 1.00000
5 5.6696 0.00000
6 5.7297 0.00000
7 15.9982 0.00000
8 15.9982 0.00000
9 18.3725 0.00000
10 18.5151 0.00000
11 18.5151 0.00000
12 18.6013 0.00000

k-point 150 : 0.4859 0.0000 0.4859

band No. band energies occupation
1 -4.5775 1.00000
2 -4.0959 1.00000
3 1.5378 1.00000
4 1.5378 1.00000
5 5.6432 0.00000
6 5.7634 0.00000
7 15.9668 0.00000
8 15.9668 0.00000
9 18.2510 0.00000
10 18.5492 0.00000
11 18.5492 0.00000
12 18.7075 0.00000

k-point 151 : 0.4789 0.0000 0.4789

band No. band energies occupation
1 -4.6947 1.00000
2 -3.9724 1.00000
3 1.5427 1.00000
4 1.5427 1.00000
5 5.6191 0.00000
6 5.7994 0.00000
7 15.9157 0.00000
8 15.9157 0.00000
9 18.1252 0.00000
10 18.6040 0.00000
11 18.6040 0.00000
12 18.8067 0.00000

k-point 152 : 0.4718 0.0000 0.4718

band No. band energies occupation
1 -4.8106 1.00000
2 -3.8477 1.00000
3 1.5497 1.00000
 4 1.5497 1.00000
5 5.5974 0.00000
6 5.8380 0.00000
7 15.8482 0.00000
8 15.8482 0.00000
9 17.9959 0.00000
10 18.6778 0.00000
11 18.6785 0.00000
12 18.8049 0.00000

k-point 153 : 0.4648 0.0000 0.4648

band No. band energies occupation
1 -4.9252 1.00000
2 -3.7219 1.00000
3 1.5586 1.00000
4 1.5586 1.00000
5 5.5781 0.00000
6 5.8790 0.00000
7 15.7663 0.00000
8 15.7663 0.00000
9 17.8632 0.00000
10 18.6862 0.00000
11 18.7678 0.00000
12 18.7679 0.00000

k-point 154 : 0.4577 0.0000 0.4577

band No. band energies occupation
1 -5.0383 1.00000
2 -3.5949 1.00000
3 1.5694 1.00000
4 1.5694 1.00000
5 5.5611 0.00000
6 5.9225 0.00000
7 15.6724 0.00000
8 15.6724 0.00000
9 17.7277 0.00000
10 18.5701 0.00000
11 18.8717 0.00000
12 18.8731 0.00000

k-point 155 : 0.4507 0.0000 0.4507

band No. band energies occupation
1 -5.1501 1.00000
2 -3.4668 1.00000
3 1.5823 1.00000
4 1.5823 1.00000
5 5.5465 0.00000
6 5.9684 0.00000
7 15.5687 0.00000
8 15.5687 0.00000
9 17.5894 0.00000
10 18.4551 0.00000
11 18.9869 0.00000
12 18.9883 0.00000

k-point 156 : 0.4437 0.0000 0.4437

band No. band energies occupation
1 -5.2605 1.00000
2 -3.3377 1.00000
 3 1.5971 1.00000
4 1.5971 1.00000
5 5.5342 0.00000
6 6.0168 0.00000
7 15.4571 0.00000
8 15.4571 0.00000
9 17.4488 0.00000
10 18.3422 0.00000
11 19.1117 0.00000
12 19.1127 0.00000

k-point 157 : 0.4366 0.0000 0.4366

band No. band energies occupation
1 -5.3694 1.00000
2 -3.2075 1.00000
3 1.6140 1.00000
4 1.6140 1.00000
5 5.5242 0.00000
6 6.0678 0.00000
7 15.3392 0.00000
8 15.3392 0.00000
9 17.3060 0.00000
10 18.2311 0.00000
11 19.2251 0.00000
12 19.2445 0.00000

k-point 158 : 0.4296 0.0000 0.4296

band No. band energies occupation
1 -5.4769 1.00000
2 -3.0763 1.00000
3 1.6327 1.00000
4 1.6327 1.00000
5 5.5165 0.00000
6 6.1211 0.00000
7 15.2162 0.00000
8 15.2162 0.00000
9 17.1612 0.00000
10 18.1218 0.00000
11 19.2377 0.00000
12 19.3838 0.00000

k-point 159 : 0.4225 0.0000 0.4225

band No. band energies occupation
1 -5.5830 1.00000
2 -2.9441 1.00000
3 1.6535 1.00000
4 1.6535 1.00000
5 5.5110 0.00000
6 6.1770 0.00000
7 15.0891 0.00000
8 15.0891 0.00000
9 17.0145 0.00000
10 18.0144 0.00000
11 19.2510 0.00000
12 19.5285 0.00000

k-point 160 : 0.4155 0.0000 0.4155

band No. band energies occupation
1 -5.6875 1.00000
 2 -2.8110 1.00000
3 1.6761 1.00000
4 1.6761 1.00000
5 5.5078 0.00000
6 6.2353 0.00000
7 14.9587 0.00000
8 14.9587 0.00000
9 16.8662 0.00000
10 17.9087 0.00000
11 19.2472 0.00000
12 19.6777 0.00000

k-point 161 : 0.4085 0.0000 0.4085

band No. band energies occupation
1 -5.7906 1.00000
2 -2.6769 1.00000
3 1.7007 1.00000
4 1.7007 1.00000
5 5.5069 0.00000
6 6.2961 0.00000
7 14.8258 0.00000
8 14.8258 0.00000
9 16.7165 0.00000
10 17.8049 0.00000
11 19.2265 0.00000
12 19.8305 0.00000

k-point 162 : 0.4014 0.0000 0.4014

band No. band energies occupation
1 -5.8922 1.00000
2 -2.5419 1.00000
3 1.7273 1.00000
4 1.7273 1.00000
5 5.5082 0.00000
6 6.3593 0.00000
7 14.6907 0.00000
8 14.6907 0.00000
9 16.5653 0.00000
10 17.7029 0.00000
11 19.1919 0.00000
12 19.9858 0.00000

k-point 163 : 0.3944 0.0000 0.3944

band No. band energies occupation
1 -5.9922 1.00000
2 -2.4060 1.00000
3 1.7558 1.00000
4 1.7558 1.00000
5 5.5117 0.00000
6 6.4250 0.00000
7 14.5540 0.00000
8 14.5540 0.00000
9 16.4129 0.00000
10 17.6027 0.00000
11 19.1416 0.00000
12 20.1426 0.00000

k-point 164 : 0.3873 0.0000 0.3873

band No. band energies occupation
 1 -6.0907 1.00000
2 -2.2693 1.00000
3 1.7862 1.00000
4 1.7862 1.00000
5 5.5174 0.00000
6 6.4932 0.00000
7 14.4159 0.00000
8 14.4159 0.00000
9 16.2594 0.00000
10 17.5043 0.00000
11 19.0763 0.00000
12 20.2990 0.00000

k-point 165 : 0.3803 0.0000 0.3803

band No. band energies occupation
1 -6.1876 1.00000
2 -2.1318 1.00000
3 1.8185 1.00000
4 1.8185 1.00000
5 5.5253 0.00000
6 6.5638 0.00000
7 14.2767 0.00000
8 14.2767 0.00000
9 16.1049 0.00000
10 17.4077 0.00000
11 18.9967 0.00000
12 20.4519 0.00000

k-point 166 : 0.3732 0.0000 0.3732

band No. band energies occupation
1 -6.2829 1.00000
2 -1.9935 1.00000
3 1.8528 1.00000
4 1.8528 1.00000
5 5.5354 0.00000
6 6.6367 0.00000
7 14.1367 0.00000
8 14.1367 0.00000
9 15.9495 0.00000
10 17.3129 0.00000
11 18.9036 0.00000
12 20.5940 0.00000

k-point 167 : 0.3662 0.0000 0.3662

band No. band energies occupation
1 -6.3767 1.00000
2 -1.8544 1.00000
3 1.8890 1.00000
4 1.8890 1.00000
5 5.5476 0.00000
6 6.7120 0.00000
7 13.9960 0.00000
8 13.9960 0.00000
9 15.7934 0.00000
10 17.2199 0.00000
11 18.7981 0.00000
12 20.7067 0.00000

k-point 168 : 0.3592 0.0000 0.3592

band No. band energies occupation
1 -6.4688 1.00000
2 -1.7147 1.00000
3 1.9270 1.00000
4 1.9270 1.00000
5 5.5620 0.00000
6 6.7897 0.00000
7 13.8547 0.00000
8 13.8547 0.00000
9 15.6366 0.00000
10 17.1287 0.00000
11 18.6815 0.00000
12 20.7480 0.00000

k-point 169 : 0.3521 0.0000 0.3521

band No. band energies occupation
1 -6.5593 1.00000
2 -1.5742 1.00000
3 1.9670 1.00000
4 1.9670 1.00000
5 5.5784 0.00000
6 6.8696 0.00000
7 13.7130 0.00000
8 13.7130 0.00000
9 15.4792 0.00000
10 17.0393 0.00000
11 18.5550 0.00000
12 20.6880 0.00000

k-point 170 : 0.3451 0.0000 0.3451

band No. band energies occupation
1 -6.6482 1.00000
2 -1.4329 1.00000
3 2.0088 1.00000
4 2.0088 1.00000
5 5.5970 0.00000
6 6.9520 0.00000
7 13.5709 0.00000
8 13.5710 0.00000
9 15.3215 0.00000
10 16.9517 0.00000
11 18.4198 0.00000
12 20.5639 0.00000

k-point 171 : 0.3380 0.0000 0.3380

band No. band energies occupation
1 -6.7355 1.00000
2 -1.2912 1.00000
3 2.0526 1.00000
4 2.0526 1.00000
5 5.6177 0.00000
6 7.0364 0.00000
7 13.4288 0.00000
8 13.4288 0.00000
9 15.1636 0.00000
10 16.8661 0.00000
11 18.2770 0.00000
12 20.4150 0.00000
k-point 172 : 0.3310 0.0000 0.3310
band No. band energies occupation
1 -6.8211 1.00000
2 -1.1488 1.00000
3 2.0982 1.00000
4 2.0982 1.00000
5 5.6404 0.00000
6 7.1228 0.00000
7 13.2863 0.00000
8 13.2863 0.00000
9 15.0056 0.00000
10 16.7821 0.00000
11 18.1276 0.00000
12 20.2571 0.00000

k-point 173 : 0.3239 0.0000 0.3239

band No. band energies occupation
1 -6.9051 1.00000
2 -1.0060 1.00000
3 2.1455 1.00000
4 2.1455 1.00000
5 5.6651 0.00000
6 7.2112 0.00000
7 13.1431 0.00000
8 13.1431 0.00000
9 14.8471 0.00000
10 16.6994 0.00000
11 17.9716 0.00000
12 20.0960 0.00000

k-point 174 : 0.3169 0.0000 0.3169

band No. band energies occupation
1 -6.9873 1.00000
2 -0.8625 1.00000
3 2.1947 1.00000
4 2.1947 1.00000
5 5.6919 0.00000
6 7.3014 0.00000
7 13.0005 0.00000
8 13.0005 0.00000
9 14.6894 0.00000
10 16.6190 0.00000
11 17.8119 0.00000
12 19.9359 0.00000

k-point 175 : 0.3099 0.0000 0.3099

band No. band energies occupation
1 -7.0679 1.00000
2 -0.7186 1.00000
3 2.2457 1.00000
4 2.2457 1.00000
5 5.7206 0.00000
6 7.3934 0.00000
7 12.8576 0.00000
8 12.8576 0.00000
9 14.5321 0.00000
10 16.5403 0.00000
11 17.6483 0.00000
12 19.7769 0.00000
k-point 176 : 0.3028 0.0000 0.3028
band No. band energies occupation
1 -7.1468 1.00000
2 -0.5741 1.00000
3 2.2985 1.00000
4 2.2985 1.00000
5 5.7513 0.00000
6 7.4870 0.00000
7 12.7150 0.00000
8 12.7150 0.00000
9 14.3756 0.00000
10 16.4635 0.00000
11 17.4816 0.00000
12 19.6204 0.00000

k-point 177 : 0.2958 0.0000 0.2958

band No. band energies occupation
1 -7.2240 1.00000
2 -0.4292 1.00000
3 2.3530 1.00000
4 2.3530 1.00000
5 5.7839 0.00000
6 7.5820 0.00000
7 12.5723 0.00000
8 12.5723 0.00000
9 14.2201 0.00000
10 16.3885 0.00000
11 17.3123 0.00000
12 19.4667 0.00000

k-point 178 : 0.2887 0.0000 0.2887

band No. band energies occupation
1 -7.2995 1.00000
2 -0.2839 1.00000
3 2.4093 1.00000
4 2.4093 1.00000
5 5.8185 0.00000
6 7.6782 0.00000
7 12.4298 0.00000
8 12.4298 0.00000
9 14.0658 0.00000
10 16.3152 0.00000
11 17.1410 0.00000
12 19.3158 0.00000

k-point 179 : 0.2817 0.0000 0.2817

band No. band energies occupation
1 -7.3733 1.00000
2 -0.1382 1.00000
3 2.4674 1.00000
4 2.4674 1.00000
5 5.8549 0.00000
6 7.7753 0.00000
7 12.2874 0.00000
8 12.2874 0.00000
9 13.9131 0.00000
10 16.2438 0.00000
11 16.9683 0.00000
 12 19.1682 0.00000

k-point 180 : 0.2746 0.0000 0.2746

band No. band energies occupation
1 -7.4453 1.00000
2 0.0079 1.00000
3 2.5271 1.00000
4 2.5271 1.00000
5 5.8932 0.00000
6 7.8730 0.00000
7 12.1451 0.00000
8 12.1451 0.00000
9 13.7623 0.00000
10 16.1741 0.00000
11 16.7946 0.00000
12 19.0239 0.00000

k-point 181 : 0.2676 0.0000 0.2676

band No. band energies occupation
1 -7.5157 1.00000
2 0.1544 1.00000
3 2.5886 1.00000
4 2.5886 1.00000
5 5.9334 0.00000
6 7.9709 0.00000
7 12.0030 0.00000
8 12.0030 0.00000
9 13.6140 0.00000
10 16.1062 0.00000
11 16.6202 0.00000
12 18.8827 0.00000

k-point 182 : 0.2606 0.0000 0.2606

band No. band energies occupation
1 -7.5842 1.00000
2 0.3012 1.00000
3 2.6517 1.00000
4 2.6517 1.00000
5 5.9753 0.00000
6 8.0686 0.00000
7 11.8611 0.00000
8 11.8611 0.00000
9 13.4685 0.00000
10 16.0401 0.00000
11 16.4456 0.00000
12 18.7452 0.00000

k-point 183 : 0.2535 0.0000 0.2535

band No. band energies occupation
1 -7.6510 1.00000
2 0.4483 1.00000
3 2.7164 1.00000
4 2.7164 1.00000
5 6.0190 0.00000
6 8.1656 0.00000
7 11.7195 0.00000
8 11.7195 0.00000
9 13.3265 0.00000
10 15.9758 0.00000
 11 16.2710 0.00000
12 18.6111 0.00000

k-point 184 : 0.2465 0.0000 0.2465

band No. band energies occupation
1 -7.7161 1.00000
2 0.5956 1.00000
3 2.7828 1.00000
4 2.7828 1.00000
5 6.0643 0.00000
6 8.2612 0.00000
7 11.5781 0.00000
8 11.5781 0.00000
9 13.1886 0.00000
10 15.9132 0.00000
11 16.0967 0.00000
12 18.4807 0.00000

k-point 185 : 0.2394 0.0000 0.2394

band No. band energies occupation
1 -7.7794 1.00000
2 0.7432 1.00000
3 2.8507 1.00000
4 2.8507 1.00000
5 6.1114 0.00000
6 8.3547 0.00000
7 11.4371 0.00000
8 11.4371 0.00000
9 13.0557 0.00000
10 15.8525 0.00000
11 15.9230 0.00000
12 18.3538 0.00000

k-point 186 : 0.2324 0.0000 0.2324

band No. band energies occupation
1 -7.8409 1.00000
2 0.8911 1.00000
3 2.9202 1.00000
4 2.9202 1.00000
5 6.1600 0.00000
6 8.4452 0.00000
7 11.2964 0.00000
8 11.2964 0.00000
9 12.9286 0.00000
10 15.7502 0.00000
11 15.7935 0.00000
12 18.2306 0.00000

k-point 187 : 0.2254 0.0000 0.2254

band No. band energies occupation
1 -7.9006 1.00000
2 1.0391 1.00000
3 2.9912 1.00000
4 2.9912 1.00000
5 6.2102 0.00000
6 8.5317 0.00000
7 11.1561 0.00000
8 11.1561 0.00000
9 12.8084 0.00000
 10 15.5784 0.00000
11 15.7363 0.00000
12 18.1110 0.00000

k-point 188 : 0.2183 0.0000 0.2183

band No. band energies occupation
1 -7.9586 1.00000
2 1.1873 1.00000
3 3.0637 1.00000
4 3.0637 1.00000
5 6.2620 0.00000
6 8.6130 0.00000
7 11.0163 0.00000
8 11.0163 0.00000
9 12.6965 0.00000
10 15.4079 0.00000
11 15.6808 0.00000
12 17.9951 0.00000

k-point 189 : 0.2113 0.0000 0.2113

band No. band energies occupation
1 -8.0148 1.00000
2 1.3357 1.00000
3 3.1376 1.00000
4 3.1376 1.00000
5 6.3151 0.00000
6 8.6877 0.00000
7 10.8771 0.00000
8 10.8771 0.00000
9 12.5941 0.00000
10 15.2389 0.00000
11 15.6271 0.00000
12 17.8829 0.00000

k-point 190 : 0.2042 0.0000 0.2042

band No. band energies occupation
1 -8.0691 1.00000
2 1.4842 1.00000
3 3.2128 1.00000
4 3.2128 1.00000
5 6.3697 0.00000
6 8.7544 0.00000
7 10.7383 0.00000
8 10.7383 0.00000
9 12.5029 0.00000
10 15.0715 0.00000
11 15.5753 0.00000
12 17.7745 0.00000

k-point 191 : 0.1972 0.0000 0.1972

band No. band energies occupation
1 -8.1217 1.00000
2 1.6329 1.00000
3 3.2894 1.00000
4 3.2894 1.00000
5 6.4256 0.00000
6 8.8113 0.00000
7 10.6002 0.00000
8 10.6002 0.00000
 9 12.4244 0.00000
10 14.9060 0.00000
11 15.5251 0.00000
12 17.6698 0.00000

k-point 192 : 0.1901 0.0000 0.1901

band No. band energies occupation
1 -8.1725 1.00000
2 1.7816 1.00000
3 3.3673 1.00000
4 3.3673 1.00000
5 6.4826 0.00000
6 8.8567 0.00000
7 10.4629 0.00000
8 10.4629 0.00000
9 12.3604 0.00000
10 14.7425 0.00000
11 15.4768 0.00000
12 17.5687 0.00000

k-point 193 : 0.1831 0.0000 0.1831

band No. band energies occupation
1 -8.2214 1.00000
2 1.9304 1.00000
3 3.4463 1.00000
4 3.4463 1.00000
5 6.5408 0.00000
6 8.8891 0.00000
7 10.3262 0.00000
8 10.3262 0.00000
9 12.3126 0.00000
10 14.5813 0.00000
11 15.4302 0.00000
12 17.4715 0.00000

k-point 194 : 0.1761 0.0000 0.1761

band No. band energies occupation
1 -8.2686 1.00000
2 2.0792 1.00000
3 3.5265 1.00000
4 3.5265 1.00000
5 6.6001 0.00000
6 8.9071 0.00000
7 10.1905 0.00000
8 10.1905 0.00000
9 12.2822 0.00000
10 14.4224 0.00000
11 15.3854 0.00000
12 17.3780 0.00000

k-point 195 : 0.1690 0.0000 0.1690

band No. band energies occupation
1 -8.3139 1.00000
2 2.2280 1.00000
3 3.6078 1.00000
4 3.6078 1.00000
5 6.6602 0.00000
6 8.9095 0.00000
7 10.0557 0.00000
 8 10.0557 0.00000
9 12.2704 0.00000
10 14.2660 0.00000
11 15.3423 0.00000
12 17.2882 0.00000

k-point 196 : 0.1620 0.0000 0.1620

band No. band energies occupation
1 -8.3574 1.00000
2 2.3768 1.00000
3 3.6900 1.00000
4 3.6900 1.00000
5 6.7212 0.00000
6 8.8960 0.00000
7 9.9220 0.00000
8 9.9220 0.00000
9 12.2777 0.00000
10 14.1124 0.00000
11 15.3010 0.00000
12 17.2021 0.00000

k-point 197 : 0.1549 0.0000 0.1549

band No. band energies occupation
1 -8.3991 1.00000
2 2.5255 1.00000
3 3.7731 1.00000
4 3.7731 1.00000
5 6.7829 0.00000
6 8.8665 0.00000
7 9.7894 0.00000
8 9.7894 0.00000
9 12.3039 0.00000
10 13.9618 0.00000
11 15.2615 0.00000
12 17.1198 0.00000

k-point 198 : 0.1479 0.0000 0.1479

band No. band energies occupation
1 -8.4390 1.00000
2 2.6741 1.00000
3 3.8569 1.00000
4 3.8569 1.00000
5 6.8451 0.00000
6 8.8215 0.00000
7 9.6581 0.00000
8 9.6581 0.00000
9 12.3486 0.00000
10 13.8142 0.00000
11 15.2237 0.00000
12 17.0413 0.00000

k-point 199 : 0.1408 0.0000 0.1408

band No. band energies occupation
1 -8.4770 1.00000
2 2.8226 1.00000
3 3.9414 1.00000
4 3.9414 1.00000
5 6.9076 0.00000
6 8.7623 0.00000
 7 9.5283 0.00000
8 9.5283 0.00000
9 12.4105 0.00000
10 13.6701 0.00000
11 15.1877 0.00000
12 16.9664 0.00000

k-point 200 : 0.1338 0.0000 0.1338

band No. band energies occupation
1 -8.5132 1.00000
2 2.9708 1.00000
3 4.0263 1.00000
4 4.0263 1.00000
5 6.9703 0.00000
6 8.6900 0.00000
7 9.4001 0.00000
8 9.4001 0.00000
9 12.4884 0.00000
10 13.5295 0.00000
11 15.1535 0.00000
12 16.8953 0.00000

k-point 201 : 0.1268 0.0000 0.1268

band No. band energies occupation
1 -8.5475 1.00000
2 3.1187 1.00000
3 4.1115 1.00000
4 4.1115 1.00000
5 7.0330 0.00000
6 8.6062 0.00000
7 9.2737 0.00000
8 9.2737 0.00000
9 12.5805 0.00000
10 13.3927 0.00000
11 15.1210 0.00000
12 16.8279 0.00000

k-point 202 : 0.1197 0.0000 0.1197

band No. band energies occupation
1 -8.5800 1.00000
2 3.2662 1.00000
3 4.1969 1.00000
4 4.1969 1.00000
5 7.0955 0.00000
6 8.5126 0.00000
7 9.1492 0.00000
8 9.1492 0.00000
9 12.6854 0.00000
10 13.2600 0.00000
11 15.0903 0.00000
12 16.7642 0.00000

k-point 203 : 0.1127 0.0000 0.1127

band No. band energies occupation
1 -8.6107 1.00000
2 3.4132 1.00000
3 4.2822 1.00000
4 4.2822 1.00000
5 7.1575 0.00000
 6 8.4106 0.00000
7 9.0271 0.00000
8 9.0271 0.00000
9 12.8013 0.00000
10 13.1316 0.00000
11 15.0613 0.00000
12 16.7042 0.00000

k-point 204 : 0.1056 0.0000 0.1056

band No. band energies occupation
1 -8.6395 1.00000
2 3.5598 1.00000
3 4.3675 1.00000
4 4.3675 1.00000
5 7.2192 0.00000
6 8.3018 0.00000
7 8.9075 0.00000
8 8.9075 0.00000
9 12.9270 0.00000
10 13.0082 0.00000
11 15.0341 0.00000
12 16.6481 0.00000

k-point 205 : 0.0986 0.0000 0.0986

band No. band energies occupation
1 -8.6665 1.00000
2 3.7054 1.00000
3 4.4518 1.00000
4 4.4518 1.00000
5 7.2793 0.00000
6 8.1873 0.00000
7 8.7906 0.00000
8 8.7906 0.00000
9 12.8895 0.00000
10 13.0606 0.00000
11 15.0087 0.00000
12 16.5955 0.00000

k-point 206 : 0.0915 0.0000 0.0915

band No. band energies occupation
1 -8.6916 1.00000
2 3.8503 1.00000
3 4.5350 1.00000
4 4.5350 1.00000
5 7.3381 0.00000
6 8.0685 0.00000
7 8.6769 0.00000
8 8.6769 0.00000
9 12.7761 0.00000
10 13.2015 0.00000
11 14.9850 0.00000
12 16.5467 0.00000

k-point 207 : 0.0845 0.0000 0.0845

band No. band energies occupation
1 -8.7148 1.00000
2 3.9936 1.00000
3 4.6169 1.00000
4 4.6169 1.00000
 5 7.3951 0.00000
6 7.9464 0.00000
7 8.5669 0.00000
8 8.5669 0.00000
9 12.6685 0.00000
10 13.3473 0.00000
11 14.9631 0.00000
12 16.5014 0.00000

k-point 208 : 0.0775 0.0000 0.0775

band No. band energies occupation
1 -8.7362 1.00000
2 4.1352 1.00000
3 4.6968 1.00000
4 4.6968 1.00000
5 7.4500 0.00000
6 7.8221 0.00000
7 8.4609 0.00000
8 8.4609 0.00000
9 12.5669 0.00000
10 13.4975 0.00000
11 14.9429 0.00000
12 16.4598 0.00000

k-point 209 : 0.0704 0.0000 0.0704

band No. band energies occupation
1 -8.7558 1.00000
2 4.2748 1.00000
3 4.7743 1.00000
4 4.7743 1.00000
5 7.5023 0.00000
6 7.6968 0.00000
7 8.3595 0.00000
8 8.3595 0.00000
9 12.4719 0.00000
10 13.6506 0.00000
11 14.9245 0.00000
12 16.4218 0.00000

k-point 210 : 0.0634 0.0000 0.0634

band No. band energies occupation
1 -8.7735 1.00000
2 4.4119 1.00000
3 4.8489 1.00000
4 4.8489 1.00000
5 7.5519 0.00000
6 7.5715 0.00000
7 8.2636 0.00000
8 8.2636 0.00000
9 12.3841 0.00000
10 13.8054 0.00000
11 14.9078 0.00000
12 16.3876 0.00000

k-point 211 : 0.0563 0.0000 0.0563

band No. band energies occupation
1 -8.7893 1.00000
2 4.5453 1.00000
3 4.9194 1.00000
 4 4.9194 1.00000
5 7.4475 0.00000
6 7.5978 0.00000
7 8.1737 0.00000
8 8.1737 0.00000
9 12.3036 0.00000
10 13.9606 0.00000
11 14.8929 0.00000
12 16.3569 0.00000

k-point 212 : 0.0493 0.0000 0.0493

band No. band energies occupation
1 -8.8033 1.00000
2 4.6742 1.00000
3 4.9853 1.00000
4 4.9853 1.00000
5 7.3263 0.00000
6 7.6397 0.00000
7 8.0907 0.00000
8 8.0907 0.00000
9 12.2310 0.00000
10 14.1142 0.00000
11 14.8798 0.00000
12 16.3299 0.00000

k-point 213 : 0.0423 0.0000 0.0423

band No. band energies occupation
1 -8.8154 1.00000
2 4.7969 1.00000
3 5.0456 1.00000
4 5.0456 1.00000
5 7.2096 0.00000
6 7.6773 0.00000
7 8.0156 0.00000
8 8.0156 0.00000
9 12.1669 0.00000
10 14.2643 0.00000
11 14.8684 0.00000
12 16.3064 0.00000

k-point 214 : 0.0352 0.0000 0.0352

band No. band energies occupation
1 -8.8257 1.00000
2 4.9114 1.00000
3 5.0992 1.00000
4 5.0992 1.00000
5 7.0998 0.00000
6 7.7101 0.00000
7 7.9494 0.00000
8 7.9494 0.00000
9 12.1117 0.00000
10 14.4079 0.00000
11 14.8587 0.00000
12 16.2866 0.00000

k-point 215 : 0.0282 0.0000 0.0282

band No. band energies occupation
1 -8.8340 1.00000
2 5.0149 1.00000
 3 5.1451 1.00000
4 5.1451 1.00000
5 7.0000 0.00000
6 7.7376 0.00000
7 7.8932 0.00000
8 7.8932 0.00000
9 12.0658 0.00000
10 14.5411 0.00000
11 14.8509 0.00000
12 16.2704 0.00000

k-point 216 : 0.0211 0.0000 0.0211

band No. band energies occupation
1 -8.8406 1.00000
2 5.1034 1.00000
3 5.1822 1.00000
4 5.1822 1.00000
5 6.9141 0.00000
6 7.7594 0.00000
7 7.8481 0.00000
8 7.8481 0.00000
9 12.0297 0.00000
10 14.6586 0.00000
11 14.8447 0.00000
12 16.2578 0.00000

k-point 217 : 0.0141 0.0000 0.0141

band No. band energies occupation
1 -8.8452 1.00000
2 5.1724 1.00000
3 5.2095 1.00000
4 5.2095 1.00000
5 6.8470 0.00000
6 7.7752 0.00000
7 7.8150 0.00000
8 7.8150 0.00000
9 12.0036 0.00000
10 14.7528 0.00000
11 14.8403 0.00000
12 16.2488 0.00000

k-point 218 : 0.0070 0.0000 0.0070

band No. band energies occupation
1 -8.8480 1.00000
2 5.2166 1.00000
3 5.2263 1.00000
4 5.2263 1.00000
5 6.8039 0.00000
6 7.7848 0.00000
7 7.7948 0.00000
8 7.7948 0.00000
9 11.9879 0.00000
10 14.8150 0.00000
11 14.8377 0.00000
12 16.2435 0.00000

k-point 219 : 0.0000 0.0000 0.0000

band No. band energies occupation
1 -8.8489 1.00000
 2 5.2319 1.00000
3 5.2319 1.00000
4 5.2319 1.00000
5 6.7889 0.00000
6 7.7881 0.00000
7 7.7881 0.00000
8 7.7881 0.00000
9 11.9826 0.00000
10 14.8368 0.00000
11 14.8368 0.00000
12 16.2416 0.00000

spin component 2

k-point 1 : 0.0000 0.0000 0.0000

band No. band energies occupation
1 -8.8489 1.00000
2 5.2319 1.00000
3 5.2319 1.00000
4 5.2319 1.00000
5 6.7889 0.00000
6 7.7881 0.00000
7 7.7881 0.00000
8 7.7881 0.00000
9 11.9826 0.00000
10 14.8368 0.00000
11 14.8368 0.00000
12 16.2416 0.00000

k-point 2 : 0.0082 0.0082 0.0082

band No. band energies occupation
1 -8.8480 1.00000
2 5.2097 1.00000
3 5.2296 1.00000
4 5.2296 1.00000
5 6.8039 0.00000
6 7.7911 0.00000
7 7.7911 0.00000
8 7.7927 0.00000
9 11.9880 0.00000
10 14.8261 0.00000
11 14.8261 0.00000
12 16.2363 0.00000

k-point 3 : 0.0164 0.0164 0.0164

band No. band energies occupation
1 -8.8452 1.00000
2 5.1461 1.00000
3 5.2226 1.00000
4 5.2226 1.00000
5 6.8452 0.00000
6 7.8000 0.00000
7 7.8000 0.00000
8 7.8072 0.00000
9 12.0040 0.00000
10 14.7952 0.00000
11 14.7952 0.00000
12 16.2207 0.00000
k-point 4 : 0.0246 0.0246 0.0246
band No. band energies occupation
1 -8.8404 1.00000
2 5.0485 1.00000
3 5.2110 1.00000
4 5.2110 1.00000
5 6.9033 0.00000
6 7.8148 0.00000
7 7.8148 0.00000
8 7.8338 0.00000
9 12.0305 0.00000
10 14.7473 0.00000
11 14.7473 0.00000
12 16.1953 0.00000

k-point 5 : 0.0328 0.0328 0.0328

band No. band energies occupation
1 -8.8338 1.00000
2 4.9252 1.00000
3 5.1952 1.00000
4 5.1952 1.00000
5 6.9671 0.00000
6 7.8351 0.00000
7 7.8351 0.00000
8 7.8755 0.00000
9 12.0673 0.00000
10 14.6863 0.00000
11 14.6863 0.00000
12 16.1609 0.00000

k-point 6 : 0.0410 0.0410 0.0410

band No. band energies occupation
1 -8.8253 1.00000
2 4.7832 1.00000
3 5.1752 1.00000
4 5.1752 1.00000
5 7.0263 0.00000
6 7.8607 0.00000
7 7.8607 0.00000
8 7.9356 0.00000
9 12.1142 0.00000
10 14.6162 0.00000
11 14.6162 0.00000
12 16.1185 0.00000

k-point 7 : 0.0492 0.0492 0.0492

band No. band energies occupation
1 -8.8149 1.00000
2 4.6279 1.00000
3 5.1514 1.00000
4 5.1514 1.00000
5 7.0739 0.00000
6 7.8913 0.00000
7 7.8913 0.00000
8 8.0162 0.00000
9 12.1706 0.00000
10 14.5400 0.00000
11 14.5400 0.00000
12 16.0695 0.00000
k-point 8 : 0.0574 0.0574 0.0574
band No. band energies occupation
1 -8.8026 1.00000
2 4.4630 1.00000
3 5.1242 1.00000
4 5.1242 1.00000
5 7.1065 0.00000
6 7.9265 0.00000
7 7.9265 0.00000
8 8.1169 0.00000
9 12.2362 0.00000
10 14.4604 0.00000
11 14.4604 0.00000
12 16.0150 0.00000

k-point 9 : 0.0656 0.0656 0.0656

band No. band energies occupation
1 -8.7884 1.00000
2 4.2908 1.00000
3 5.0938 1.00000
4 5.0938 1.00000
5 7.1243 0.00000
6 7.9657 0.00000
7 7.9657 0.00000
8 8.2351 0.00000
9 12.3104 0.00000
10 14.3791 0.00000
11 14.3791 0.00000
12 15.9562 0.00000

k-point 10 : 0.0738 0.0738 0.0738

band No. band energies occupation
1 -8.7723 1.00000
2 4.1141 1.00000
3 5.0606 1.00000
4 5.0606 1.00000
5 7.1294 0.00000
6 8.0086 0.00000
7 8.0086 0.00000
8 8.3675 0.00000
9 12.3925 0.00000
10 14.2977 0.00000
11 14.2977 0.00000
12 15.8949 0.00000

k-point 11 : 0.0820 0.0820 0.0820

band No. band energies occupation
1 -8.7544 1.00000
2 3.9337 1.00000
3 5.0250 1.00000
4 5.0250 1.00000
5 7.1242 0.00000
6 8.0547 0.00000
7 8.0547 0.00000
8 8.5105 0.00000
9 12.4818 0.00000
10 14.2172 0.00000
11 14.2172 0.00000
 12 15.8323 0.00000

k-point 12 : 0.0902 0.0902 0.0902

band No. band energies occupation
1 -8.7346 1.00000
2 3.7507 1.00000
3 4.9873 1.00000
4 4.9873 1.00000
5 7.1110 0.00000
6 8.1036 0.00000
7 8.1036 0.00000
8 8.6610 0.00000
9 12.5774 0.00000
10 14.1386 0.00000
11 14.1386 0.00000
12 15.7696 0.00000

k-point 13 : 0.0984 0.0984 0.0984

band No. band energies occupation
1 -8.7130 1.00000
2 3.5658 1.00000
3 4.9479 1.00000
4 4.9479 1.00000
5 7.0916 0.00000
6 8.1547 0.00000
7 8.1547 0.00000
8 8.8169 0.00000
9 12.6782 0.00000
10 14.0625 0.00000
11 14.0625 0.00000
12 15.7085 0.00000

k-point 14 : 0.1066 0.1066 0.1066

band No. band energies occupation
1 -8.6894 1.00000
2 3.3797 1.00000
3 4.9069 1.00000
4 4.9069 1.00000
5 7.0676 0.00000
6 8.2076 0.00000
7 8.2076 0.00000
8 8.9764 0.00000
9 12.7829 0.00000
10 13.9895 0.00000
11 13.9895 0.00000
12 15.6504 0.00000

k-point 15 : 0.1148 0.1148 0.1148

band No. band energies occupation
1 -8.6641 1.00000
2 3.1927 1.00000
3 4.8647 1.00000
4 4.8647 1.00000
5 7.0399 0.00000
6 8.2619 0.00000
7 8.2619 0.00000
8 9.1382 0.00000
9 12.8901 0.00000
10 13.9202 0.00000
 11 13.9202 0.00000
12 15.5970 0.00000

k-point 16 : 0.1230 0.1230 0.1230

band No. band energies occupation
1 -8.6369 1.00000
2 3.0052 1.00000
3 4.8216 1.00000
4 4.8216 1.00000
5 7.0093 0.00000
6 8.3171 0.00000
7 8.3171 0.00000
8 9.3016 0.00000
9 12.9979 0.00000
10 13.8547 0.00000
11 13.8547 0.00000
12 15.5502 0.00000

k-point 17 : 0.1311 0.1311 0.1311

band No. band energies occupation
1 -8.6078 1.00000
2 2.8177 1.00000
3 4.7777 1.00000
4 4.7777 1.00000
5 6.9766 0.00000
6 8.3728 0.00000
7 8.3728 0.00000
8 9.4660 0.00000
9 13.1042 0.00000
10 13.7940 0.00000
11 13.7940 0.00000
12 15.5123 0.00000

k-point 18 : 0.1393 0.1393 0.1393

band No. band energies occupation
1 -8.5769 1.00000
2 2.6304 1.00000
3 4.7331 1.00000
4 4.7331 1.00000
5 6.9420 0.00000
6 8.4285 0.00000
7 8.4285 0.00000
8 9.6307 0.00000
9 13.2063 0.00000
10 13.7381 0.00000
11 13.7381 0.00000
12 15.4858 0.00000

k-point 19 : 0.1475 0.1475 0.1475

band No. band energies occupation
1 -8.5443 1.00000
2 2.4434 1.00000
3 4.6884 1.00000
4 4.6884 1.00000
5 6.9064 0.00000
6 8.4839 0.00000
7 8.4839 0.00000
8 9.7956 0.00000
9 13.3017 0.00000
 10 13.6876 0.00000
11 13.6876 0.00000
12 15.4734 0.00000

k-point 20 : 0.1557 0.1557 0.1557

band No. band energies occupation
1 -8.5098 1.00000
2 2.2570 1.00000
3 4.6436 1.00000
4 4.6436 1.00000
5 6.8700 0.00000
6 8.5385 0.00000
7 8.5385 0.00000
8 9.9605 0.00000
9 13.3873 0.00000
10 13.6427 0.00000
11 13.6427 0.00000
12 15.4781 0.00000

k-point 21 : 0.1639 0.1639 0.1639

band No. band energies occupation
1 -8.4735 1.00000
2 2.0713 1.00000
3 4.5988 1.00000
4 4.5988 1.00000
5 6.8330 0.00000
6 8.5921 0.00000
7 8.5921 0.00000
8 10.1251 0.00000
9 13.4601 0.00000
10 13.6037 0.00000
11 13.6037 0.00000
12 15.5026 0.00000

k-point 22 : 0.1721 0.1721 0.1721

band No. band energies occupation
1 -8.4354 1.00000
2 1.8865 1.00000
3 4.5541 1.00000
4 4.5541 1.00000
5 6.7956 0.00000
6 8.6441 0.00000
7 8.6441 0.00000
8 10.2893 0.00000
9 13.5178 0.00000
10 13.5710 0.00000
11 13.5710 0.00000
12 15.5491 0.00000

k-point 23 : 0.1803 0.1803 0.1803

band No. band energies occupation
1 -8.3956 1.00000
2 1.7028 1.00000
3 4.5097 1.00000
4 4.5097 1.00000
5 6.7581 0.00000
6 8.6942 0.00000
7 8.6942 0.00000
8 10.4531 0.00000
 9 13.5448 0.00000
10 13.5448 0.00000
11 13.5593 0.00000
12 15.6188 0.00000

k-point 24 : 0.1885 0.1885 0.1885

band No. band energies occupation
1 -8.3541 1.00000
2 1.5201 1.00000
3 4.4657 1.00000
4 4.4657 1.00000
5 6.7207 0.00000
6 8.7422 0.00000
7 8.7422 0.00000
8 10.6164 0.00000
9 13.5255 0.00000
10 13.5255 0.00000
11 13.5844 0.00000
12 15.7113 0.00000

k-point 25 : 0.1967 0.1967 0.1967

band No. band energies occupation
1 -8.3108 1.00000
2 1.3387 1.00000
3 4.4221 1.00000
4 4.4221 1.00000
5 6.6834 0.00000
6 8.7876 0.00000
7 8.7876 0.00000
8 10.7791 0.00000
9 13.5133 0.00000
10 13.5133 0.00000
11 13.5945 0.00000
12 15.8253 0.00000

k-point 26 : 0.2049 0.2049 0.2049

band No. band energies occupation
1 -8.2659 1.00000
2 1.1586 1.00000
3 4.3790 1.00000
4 4.3790 1.00000
5 6.6464 0.00000
6 8.8303 0.00000
7 8.8303 0.00000
8 10.9411 0.00000
9 13.5081 0.00000
10 13.5081 0.00000
11 13.5915 0.00000
12 15.9586 0.00000

k-point 27 : 0.2131 0.2131 0.2131

band No. band energies occupation
1 -8.2192 1.00000
2 0.9800 1.00000
3 4.3367 1.00000
4 4.3367 1.00000
5 6.6098 0.00000
6 8.8700 0.00000
7 8.8700 0.00000
 8 11.1025 0.00000
9 13.5107 0.00000
10 13.5107 0.00000
11 13.5778 0.00000
12 16.1088 0.00000

k-point 28 : 0.2213 0.2213 0.2213

band No. band energies occupation
1 -8.1709 1.00000
2 0.8030 1.00000
3 4.2950 1.00000
4 4.2950 1.00000
5 6.5738 0.00000
6 8.9065 0.00000
7 8.9065 0.00000
8 11.2629 0.00000
9 13.5209 0.00000
10 13.5209 0.00000
11 13.5560 0.00000
12 16.2732 0.00000

k-point 29 : 0.2295 0.2295 0.2295

band No. band energies occupation
1 -8.1210 1.00000
2 0.6276 1.00000
3 4.2542 1.00000
4 4.2542 1.00000
5 6.5384 0.00000
6 8.9396 0.00000
7 8.9396 0.00000
8 11.4222 0.00000
9 13.5284 0.00000
10 13.5389 0.00000
11 13.5389 0.00000
12 16.4494 0.00000

k-point 30 : 0.2377 0.2377 0.2377

band No. band energies occupation
1 -8.0695 1.00000
2 0.4539 1.00000
3 4.2142 1.00000
4 4.2142 1.00000
5 6.5036 0.00000
6 8.9693 0.00000
7 8.9693 0.00000
8 11.5799 0.00000
9 13.4972 0.00000
10 13.5648 0.00000
11 13.5648 0.00000
12 16.6352 0.00000

k-point 31 : 0.2459 0.2459 0.2459

band No. band energies occupation
1 -8.0165 1.00000
2 0.2821 1.00000
3 4.1751 1.00000
4 4.1751 1.00000
5 6.4696 0.00000
6 8.9956 0.00000
 7 8.9956 0.00000
8 11.7357 0.00000
9 13.4644 0.00000
10 13.5984 0.00000
11 13.5984 0.00000
12 16.8288 0.00000

k-point 32 : 0.2541 0.2541 0.2541

band No. band energies occupation
1 -7.9619 1.00000
2 0.1121 1.00000
3 4.1370 1.00000
4 4.1370 1.00000
5 6.4364 0.00000
6 9.0183 0.00000
7 9.0183 0.00000
8 11.8885 0.00000
9 13.4321 0.00000
10 13.6399 0.00000
11 13.6399 0.00000
12 17.0286 0.00000

k-point 33 : 0.2623 0.2623 0.2623

band No. band energies occupation
1 -7.9059 1.00000
2 -0.0558 1.00000
3 4.0999 1.00000
4 4.0999 1.00000
5 6.4041 0.00000
6 9.0377 0.00000
7 9.0377 0.00000
8 12.0370 0.00000
9 13.4027 0.00000
10 13.6891 0.00000
11 13.6891 0.00000
12 17.2329 0.00000

k-point 34 : 0.2705 0.2705 0.2705

band No. band energies occupation
1 -7.8485 1.00000
2 -0.2217 1.00000
3 4.0637 1.00000
4 4.0637 1.00000
5 6.3726 0.00000
6 9.0537 0.00000
7 9.0537 0.00000
8 12.1793 0.00000
9 13.3790 0.00000
10 13.7458 0.00000
11 13.7458 0.00000
12 17.4405 0.00000

k-point 35 : 0.2787 0.2787 0.2787

band No. band energies occupation
1 -7.7898 1.00000
2 -0.3854 1.00000
3 4.0287 1.00000
4 4.0287 1.00000
5 6.3421 0.00000
 6 9.0666 0.00000
7 9.0666 0.00000
8 12.3120 0.00000
9 13.3650 0.00000
10 13.8100 0.00000
11 13.8100 0.00000
12 17.6511 0.00000

k-point 36 : 0.2869 0.2869 0.2869

band No. band energies occupation
1 -7.7297 1.00000
2 -0.5468 1.00000
3 3.9947 1.00000
4 3.9947 1.00000
5 6.3125 0.00000
6 9.0765 0.00000
7 9.0765 0.00000
8 12.4303 0.00000
9 13.3659 0.00000
10 13.8814 0.00000
11 13.8814 0.00000
12 17.8610 0.00000

k-point 37 : 0.2951 0.2951 0.2951

band No. band energies occupation
1 -7.6684 1.00000
2 -0.7058 1.00000
3 3.9618 1.00000
4 3.9618 1.00000
5 6.2839 0.00000
6 9.0835 0.00000
7 9.0835 0.00000
8 12.5281 0.00000
9 13.3883 0.00000
10 13.9597 0.00000
11 13.9597 0.00000
12 18.0700 0.00000

k-point 38 : 0.3033 0.3033 0.3033

band No. band energies occupation
1 -7.6060 1.00000
2 -0.8623 1.00000
3 3.9301 1.00000
4 3.9301 1.00000
5 6.2563 0.00000
6 9.0880 0.00000
7 9.0880 0.00000
8 12.5998 0.00000
9 13.4382 0.00000
10 14.0448 0.00000
11 14.0448 0.00000
12 18.2763 0.00000

k-point 39 : 0.3115 0.3115 0.3115

band No. band energies occupation
1 -7.5425 1.00000
2 -1.0162 1.00000
3 3.8996 1.00000
4 3.8996 1.00000
 5 6.2298 0.00000
6 9.0901 0.00000
7 9.0901 0.00000
8 12.6435 0.00000
9 13.5177 0.00000
10 14.1364 0.00000
11 14.1364 0.00000
12 18.4781 0.00000

k-point 40 : 0.3197 0.3197 0.3197

band No. band energies occupation
1 -7.4781 1.00000
2 -1.1673 1.00000
3 3.8702 1.00000
4 3.8702 1.00000
5 6.2043 0.00000
6 9.0902 0.00000
7 9.0902 0.00000
8 12.6627 0.00000
9 13.6235 0.00000
10 14.2341 0.00000
11 14.2341 0.00000
12 18.6732 0.00000

k-point 41 : 0.3279 0.3279 0.3279

band No. band energies occupation
1 -7.4129 1.00000
2 -1.3156 1.00000
3 3.8421 1.00000
4 3.8421 1.00000
5 6.1799 0.00000
6 9.0883 0.00000
7 9.0883 0.00000
8 12.6637 0.00000
9 13.7496 0.00000
10 14.3377 0.00000
11 14.3377 0.00000
12 18.8588 0.00000

k-point 42 : 0.3361 0.3361 0.3361

band No. band energies occupation
1 -7.3470 1.00000
2 -1.4608 1.00000
3 3.8152 1.00000
4 3.8152 1.00000
5 6.1565 0.00000
6 9.0849 0.00000
7 9.0849 0.00000
8 12.6527 0.00000
9 13.8899 0.00000
10 14.4470 0.00000
11 14.4470 0.00000
12 19.0317 0.00000

k-point 43 : 0.3443 0.3443 0.3443

band No. band energies occupation
1 -7.2806 1.00000
2 -1.6028 1.00000
3 3.7895 1.00000
 4 3.7895 1.00000
5 6.1343 0.00000
6 9.0801 0.00000
7 9.0801 0.00000
8 12.6341 0.00000
9 14.0400 0.00000
10 14.5616 0.00000
11 14.5616 0.00000
12 19.1882 0.00000

k-point 44 : 0.3525 0.3525 0.3525

band No. band energies occupation
1 -7.2138 1.00000
2 -1.7414 1.00000
3 3.7651 1.00000
4 3.7651 1.00000
5 6.1131 0.00000
6 9.0742 0.00000
7 9.0742 0.00000
8 12.6111 0.00000
9 14.1970 0.00000
10 14.6813 0.00000
11 14.6813 0.00000
12 19.3242 0.00000

k-point 45 : 0.3607 0.3607 0.3607

band No. band energies occupation
1 -7.1468 1.00000
2 -1.8763 1.00000
3 3.7419 1.00000
4 3.7419 1.00000
5 6.0931 0.00000
6 9.0675 0.00000
7 9.0675 0.00000
8 12.5856 0.00000
9 14.3587 0.00000
10 14.8064 0.00000
11 14.8064 0.00000
12 19.4350 0.00000

k-point 46 : 0.3689 0.3689 0.3689

band No. band energies occupation
1 -7.0799 1.00000
2 -2.0074 1.00000
3 3.7200 1.00000
4 3.7200 1.00000
5 6.0742 0.00000
6 9.0600 0.00000
7 9.0600 0.00000
8 12.5590 0.00000
9 14.5239 0.00000
10 14.9354 0.00000
11 14.9354 0.00000
12 19.5168 0.00000

k-point 47 : 0.3770 0.3770 0.3770

band No. band energies occupation
1 -7.0133 1.00000
2 -2.1344 1.00000
 3 3.6994 1.00000
4 3.6994 1.00000
5 6.0565 0.00000
6 9.0520 0.00000
7 9.0520 0.00000
8 12.5321 0.00000
9 14.6916 0.00000
10 15.0687 0.00000
11 15.0687 0.00000
12 19.5666 0.00000

k-point 48 : 0.3852 0.3852 0.3852

band No. band energies occupation
1 -6.9473 1.00000
2 -2.2570 1.00000
3 3.6801 1.00000
4 3.6801 1.00000
5 6.0398 0.00000
6 9.0438 0.00000
7 9.0438 0.00000
8 12.5057 0.00000
9 14.8611 0.00000
10 15.2061 0.00000
11 15.2061 0.00000
12 19.5827 0.00000

k-point 49 : 0.3934 0.3934 0.3934

band No. band energies occupation
1 -6.8822 1.00000
2 -2.3747 1.00000
3 3.6621 1.00000
4 3.6621 1.00000
5 6.0243 0.00000
6 9.0354 0.00000
7 9.0354 0.00000
8 12.4801 0.00000
9 15.0318 0.00000
10 15.3472 0.00000
11 15.3472 0.00000
12 19.5667 0.00000

k-point 50 : 0.4016 0.4016 0.4016

band No. band energies occupation
1 -6.8185 1.00000
2 -2.4873 1.00000
3 3.6454 1.00000
4 3.6454 1.00000
5 6.0099 0.00000
6 9.0270 0.00000
7 9.0270 0.00000
8 12.4556 0.00000
9 15.2031 0.00000
10 15.4918 0.00000
11 15.4918 0.00000
12 19.5217 0.00000

k-point 51 : 0.4098 0.4098 0.4098

band No. band energies occupation
1 -6.7565 1.00000
 2 -2.5942 1.00000
3 3.6301 1.00000
4 3.6301 1.00000
5 5.9967 0.00000
6 9.0188 0.00000
7 9.0188 0.00000
8 12.4326 0.00000
9 15.3746 0.00000
10 15.6396 0.00000
11 15.6396 0.00000
12 19.4498 0.00000

k-point 52 : 0.4180 0.4180 0.4180

band No. band energies occupation
1 -6.6967 1.00000
2 -2.6951 1.00000
3 3.6160 1.00000
4 3.6160 1.00000
5 5.9846 0.00000
6 9.0109 0.00000
7 9.0109 0.00000
8 12.4111 0.00000
9 15.5455 0.00000
10 15.7904 0.00000
11 15.7904 0.00000
12 19.3581 0.00000

k-point 53 : 0.4262 0.4262 0.4262

band No. band energies occupation
1 -6.6397 1.00000
2 -2.7893 1.00000
3 3.6033 1.00000
4 3.6033 1.00000
5 5.9737 0.00000
6 9.0034 0.00000
7 9.0034 0.00000
8 12.3914 0.00000
9 15.7152 0.00000
10 15.9436 0.00000
11 15.9436 0.00000
12 19.2493 0.00000

k-point 54 : 0.4344 0.4344 0.4344

band No. band energies occupation
1 -6.5861 1.00000
2 -2.8762 1.00000
3 3.5919 1.00000
4 3.5919 1.00000
5 5.9639 0.00000
6 8.9965 0.00000
7 8.9965 0.00000
8 12.3737 0.00000
9 15.8832 0.00000
10 16.0996 0.00000
11 16.0996 0.00000
12 19.1294 0.00000

k-point 55 : 0.4426 0.4426 0.4426

band No. band energies occupation
 1 -6.5365 1.00000
2 -2.9552 1.00000
3 3.5819 1.00000
4 3.5819 1.00000
5 5.9553 0.00000
6 8.9902 0.00000
7 8.9902 0.00000
8 12.3578 0.00000
9 16.0473 0.00000
10 16.2565 0.00000
11 16.2565 0.00000
12 18.9823 0.00000

k-point 56 : 0.4508 0.4508 0.4508

band No. band energies occupation
1 -6.4915 1.00000
2 -3.0257 1.00000
3 3.5731 1.00000
4 3.5731 1.00000
5 5.9478 0.00000
6 8.9845 0.00000
7 8.9845 0.00000
8 12.3439 0.00000
9 16.2062 0.00000
10 16.4139 0.00000
11 16.4139 0.00000
12 18.7948 0.00000

k-point 57 : 0.4590 0.4590 0.4590

band No. band energies occupation
1 -6.4519 1.00000
2 -3.0869 1.00000
3 3.5658 1.00000
4 3.5658 1.00000
5 5.9414 0.00000
6 8.9796 0.00000
7 8.9796 0.00000
8 12.3320 0.00000
9 16.3575 0.00000
10 16.5705 0.00000
11 16.5705 0.00000
12 18.6060 0.00000

k-point 58 : 0.4672 0.4672 0.4672

band No. band energies occupation
1 -6.4183 1.00000
2 -3.1382 1.00000
3 3.5597 1.00000
4 3.5597 1.00000
5 5.9362 0.00000
6 8.9755 0.00000
7 8.9755 0.00000
8 12.3222 0.00000
9 16.4973 0.00000
10 16.7240 0.00000
11 16.7240 0.00000
12 18.4305 0.00000

k-point 59 : 0.4754 0.4754 0.4754

 band No. band energies occupation
1 -6.3914 1.00000
2 -3.1788 1.00000
3 3.5550 1.00000
4 3.5550 1.00000
5 5.9322 0.00000
6 8.9723 0.00000
7 8.9723 0.00000
8 12.3146 0.00000
9 16.6204 0.00000
10 16.8701 0.00000
11 16.8701 0.00000
12 18.2673 0.00000

k-point 60 : 0.4836 0.4836 0.4836

band No. band energies occupation
1 -6.3718 1.00000
2 -3.2083 1.00000
3 3.5516 1.00000
4 3.5516 1.00000
5 5.9293 0.00000
6 8.9700 0.00000
7 8.9700 0.00000
8 12.3091 0.00000
9 16.7192 0.00000
10 17.0001 0.00000
11 17.0001 0.00000
12 18.1251 0.00000

k-point 61 : 0.4918 0.4918 0.4918

band No. band energies occupation
1 -6.3598 1.00000
2 -3.2262 1.00000
3 3.5496 1.00000
4 3.5496 1.00000
5 5.9276 0.00000
6 8.9686 0.00000
7 8.9686 0.00000
8 12.3059 0.00000
9 16.7845 0.00000
10 17.0971 0.00000
11 17.0971 0.00000
12 18.0208 0.00000

k-point 62 : 0.5000 0.5000 0.5000

band No. band energies occupation
1 -6.3558 1.00000
2 -3.2321 1.00000
3 3.5489 1.00000
4 3.5489 1.00000
5 5.9270 0.00000
6 8.9681 0.00000
7 8.9681 0.00000
8 12.3048 0.00000
9 16.8075 0.00000
10 17.1347 0.00000
11 17.1347 0.00000
12 17.9808 0.00000
k-point 63 : 0.5000 0.4950 0.5050
band No. band energies occupation
1 -6.3548 1.00000
2 -3.2317 1.00000
3 3.5368 1.00000
4 3.5470 1.00000
5 5.9386 0.00000
6 8.9650 0.00000
7 8.9719 0.00000
8 12.3115 0.00000
9 16.7865 0.00000
10 17.1096 0.00000
11 17.1243 0.00000
12 17.9936 0.00000

k-point 64 : 0.5000 0.4900 0.5100

band No. band energies occupation
1 -6.3519 1.00000
2 -3.2304 1.00000
3 3.5013 1.00000
4 3.5411 1.00000
5 5.9725 0.00000
6 8.9560 0.00000
7 8.9835 0.00000
8 12.3314 0.00000
9 16.7231 0.00000
10 17.0412 0.00000
11 17.1035 0.00000
12 18.0215 0.00000

k-point 65 : 0.5000 0.4850 0.5150

band No. band energies occupation
1 -6.3472 1.00000
2 -3.2283 1.00000
3 3.4444 1.00000
4 3.5312 1.00000
5 6.0265 0.00000
6 8.9412 0.00000
7 9.0028 0.00000
8 12.3641 0.00000
9 16.6216 0.00000
10 16.9437 0.00000
11 17.0872 0.00000
12 18.0506 0.00000

k-point 66 : 0.5000 0.4800 0.5200

band No. band energies occupation
1 -6.3405 1.00000
2 -3.2253 1.00000
3 3.3691 1.00000
4 3.5175 1.00000
5 6.0975 0.00000
6 8.9214 0.00000
7 9.0301 0.00000
8 12.4088 0.00000
9 16.4932 0.00000
10 16.8293 0.00000
11 17.0795 0.00000
12 18.0737 0.00000
k-point 67 : 0.5000 0.4750 0.5250
band No. band energies occupation
1 -6.3320 1.00000
2 -3.2215 1.00000
3 3.2785 1.00000
4 3.4998 1.00000
5 6.1822 0.00000
6 8.8972 0.00000
7 9.0655 0.00000
8 12.4645 0.00000
9 16.3483 0.00000
10 16.7060 0.00000
11 17.0785 0.00000
12 18.0909 0.00000

k-point 68 : 0.5000 0.4700 0.5300

band No. band energies occupation
1 -6.3215 1.00000
2 -3.2170 1.00000
3 3.1758 1.00000
4 3.4782 1.00000
5 6.2773 0.00000
6 8.8695 0.00000
7 9.1094 0.00000
8 12.5298 0.00000
9 16.1940 0.00000
10 16.5789 0.00000
11 17.0822 0.00000
12 18.1043 0.00000

k-point 69 : 0.5000 0.4650 0.5350

band No. band energies occupation
1 -6.3091 1.00000
2 -3.2117 1.00000
3 3.0635 1.00000
4 3.4526 1.00000
5 6.3797 0.00000
6 8.8390 0.00000
7 9.1620 0.00000
8 12.6032 0.00000
9 16.0343 0.00000
10 16.4514 0.00000
11 17.0893 0.00000
12 18.1157 0.00000

k-point 70 : 0.5000 0.4600 0.5400

band No. band energies occupation
1 -6.2949 1.00000
2 -3.2057 1.00000
3 2.9441 1.00000
4 3.4233 1.00000
5 6.4868 0.00000
6 8.8069 0.00000
7 9.2237 0.00000
8 12.6833 0.00000
9 15.8717 0.00000
10 16.3260 0.00000
11 17.0991 0.00000
 12 18.1261 0.00000

k-point 71 : 0.5000 0.4550 0.5450

band No. band energies occupation
1 -6.2787 1.00000
2 -3.1991 1.00000
3 2.8195 1.00000
4 3.3901 1.00000
5 6.5966 0.00000
6 8.7738 0.00000
7 9.2947 0.00000
8 12.7680 0.00000
9 15.7073 0.00000
10 16.2043 0.00000
11 17.1112 0.00000
12 18.1361 0.00000

k-point 72 : 0.5000 0.4500 0.5500

band No. band energies occupation
1 -6.2607 1.00000
2 -3.1919 1.00000
3 2.6911 1.00000
4 3.3531 1.00000
5 6.7072 0.00000
6 8.7406 0.00000
7 9.3753 0.00000
8 12.8553 0.00000
9 15.5429 0.00000
10 16.0893 0.00000
11 17.1254 0.00000
12 18.1462 0.00000

k-point 73 : 0.5000 0.4450 0.5550

band No. band energies occupation
1 -6.2408 1.00000
2 -3.1842 1.00000
3 2.5603 1.00000
4 3.3125 1.00000
5 6.8172 0.00000
6 8.7081 0.00000
7 9.4658 0.00000
8 12.9428 0.00000
9 15.3786 0.00000
10 15.9827 0.00000
11 17.1415 0.00000
12 18.1565 0.00000

k-point 74 : 0.5000 0.4400 0.5600

band No. band energies occupation
1 -6.2190 1.00000
2 -3.1761 1.00000
3 2.4280 1.00000
4 3.2681 1.00000
5 6.9255 0.00000
6 8.6769 0.00000
7 9.5662 0.00000
8 13.0278 0.00000
9 15.2151 0.00000
10 15.8869 0.00000
 11 17.1594 0.00000
12 18.1672 0.00000

k-point 75 : 0.5000 0.4350 0.5650

band No. band energies occupation
1 -6.1953 1.00000
2 -3.1678 1.00000
3 2.2951 1.00000
4 3.2202 1.00000
5 7.0313 0.00000
6 8.6474 0.00000
7 9.6765 0.00000
8 13.1071 0.00000
9 15.0525 0.00000
10 15.8045 0.00000
11 17.1790 0.00000
12 18.1783 0.00000

k-point 76 : 0.5000 0.4300 0.5700

band No. band energies occupation
1 -6.1698 1.00000
2 -3.1592 1.00000
3 2.1623 1.00000
4 3.1688 1.00000
5 7.1339 0.00000
6 8.6204 0.00000
7 9.7966 0.00000
8 13.1773 0.00000
9 14.8913 0.00000
10 15.7387 0.00000
11 17.2003 0.00000
12 18.1899 0.00000

k-point 77 : 0.5000 0.4250 0.5750

band No. band energies occupation
1 -6.1424 1.00000
2 -3.1505 1.00000
3 2.0303 1.00000
4 3.1141 1.00000
5 7.2331 0.00000
6 8.5960 0.00000
7 9.9262 0.00000
8 13.2347 0.00000
9 14.7317 0.00000
10 15.6927 0.00000
11 17.2232 0.00000
12 18.2019 0.00000

k-point 78 : 0.5000 0.4200 0.5800

band No. band energies occupation
1 -6.1131 1.00000
2 -3.1420 1.00000
3 1.8996 1.00000
4 3.0561 1.00000
5 7.3288 0.00000
6 8.5748 0.00000
7 10.0649 0.00000
8 13.2759 0.00000
9 14.5738 0.00000
 10 15.6696 0.00000
11 17.2478 0.00000
12 18.2143 0.00000

k-point 79 : 0.5000 0.4150 0.5850

band No. band energies occupation
1 -6.0821 1.00000
2 -3.1336 1.00000
3 1.7706 1.00000
4 2.9950 1.00000
5 7.4209 0.00000
6 8.5570 0.00000
7 10.2122 0.00000
8 13.2981 0.00000
9 14.4181 0.00000
10 15.6718 0.00000
11 17.2738 0.00000
12 18.2273 0.00000

k-point 80 : 0.5000 0.4100 0.5900

band No. band energies occupation
1 -6.0491 1.00000
2 -3.1257 1.00000
3 1.6440 1.00000
4 2.9310 1.00000
5 7.5096 0.00000
6 8.5427 0.00000
7 10.3673 0.00000
8 13.2999 0.00000
9 14.2647 0.00000
10 15.7005 0.00000
11 17.3015 0.00000
12 18.2406 0.00000

k-point 81 : 0.5000 0.4050 0.5950

band No. band energies occupation
1 -6.0144 1.00000
2 -3.1183 1.00000
3 1.5200 1.00000
4 2.8643 1.00000
5 7.5953 0.00000
6 8.5323 0.00000
7 10.5299 0.00000
8 13.2811 0.00000
9 14.1140 0.00000
10 15.7557 0.00000
11 17.3306 0.00000
12 18.2543 0.00000

k-point 82 : 0.5000 0.4000 0.6000

band No. band energies occupation
1 -5.9779 1.00000
2 -3.1117 1.00000
3 1.3990 1.00000
4 2.7949 1.00000
5 7.6782 0.00000
6 8.5256 0.00000
7 10.6981 0.00000
8 13.2429 0.00000
 9 13.9662 0.00000
10 15.8354 0.00000
11 17.3612 0.00000
12 18.2684 0.00000

k-point 83 : 0.5000 0.3950 0.6050

band No. band energies occupation
1 -5.9395 1.00000
2 -3.1061 1.00000
3 1.2815 1.00000
4 2.7231 1.00000
5 7.7586 0.00000
6 8.5230 0.00000
7 10.8714 0.00000
8 13.1876 0.00000
9 13.8223 0.00000
10 15.9372 0.00000
11 17.3933 0.00000
12 18.2829 0.00000

k-point 84 : 0.5000 0.3900 0.6100

band No. band energies occupation
1 -5.8994 1.00000
2 -3.1017 1.00000
3 1.1679 1.00000
4 2.6491 1.00000
5 7.8370 0.00000
6 8.5244 0.00000
7 11.0483 0.00000
8 13.1181 0.00000
9 13.6830 0.00000
10 16.0581 0.00000
11 17.4268 0.00000
12 18.2978 0.00000

k-point 85 : 0.5000 0.3850 0.6150

band No. band energies occupation
1 -5.8575 1.00000
2 -3.0989 1.00000
3 1.0585 1.00000
4 2.5732 1.00000
5 7.9137 0.00000
6 8.5298 0.00000
7 11.2269 0.00000
8 13.0368 0.00000
9 13.5497 0.00000
10 16.1949 0.00000
11 17.4618 0.00000
12 18.3131 0.00000

k-point 86 : 0.5000 0.3800 0.6200

band No. band energies occupation
1 -5.8138 1.00000
2 -3.0978 1.00000
3 0.9537 1.00000
4 2.4954 1.00000
5 7.9892 0.00000
6 8.5394 0.00000
7 11.4048 0.00000
 8 12.9463 0.00000
9 13.4243 0.00000
10 16.3452 0.00000
11 17.4982 0.00000
12 18.3290 0.00000

k-point 87 : 0.5000 0.3750 0.6250

band No. band energies occupation
1 -5.7684 1.00000
2 -3.0987 1.00000
3 0.8539 1.00000
4 2.4161 1.00000
5 8.0636 0.00000
6 8.5530 0.00000
7 11.5781 0.00000
8 12.8486 0.00000
9 13.3103 0.00000
10 16.5058 0.00000
11 17.5359 0.00000
12 18.3455 0.00000

k-point 88 : 0.5000 0.3700 0.6300

band No. band energies occupation
1 -5.7213 1.00000
2 -3.1020 1.00000
3 0.7594 1.00000
4 2.3353 1.00000
5 8.1372 0.00000
6 8.5705 0.00000
7 11.7403 0.00000
8 12.7454 0.00000
9 13.2137 0.00000
10 16.6748 0.00000
11 17.5750 0.00000
12 18.3629 0.00000

k-point 89 : 0.5000 0.3650 0.6350

band No. band energies occupation
1 -5.6725 1.00000
2 -3.1079 1.00000
3 0.6706 1.00000
4 2.2533 1.00000
5 8.2105 0.00000
6 8.5919 0.00000
7 11.8813 0.00000
8 12.6380 0.00000
9 13.1442 0.00000
10 16.8499 0.00000
11 17.6155 0.00000
12 18.3818 0.00000

k-point 90 : 0.5000 0.3600 0.6400

band No. band energies occupation
1 -5.6221 1.00000
2 -3.1168 1.00000
3 0.5879 1.00000
4 2.1704 1.00000
5 8.2836 0.00000
6 8.6173 0.00000
 7 11.9860 0.00000
8 12.5276 0.00000
9 13.1166 0.00000
10 17.0288 0.00000
11 17.6573 0.00000
12 18.4030 0.00000

k-point 91 : 0.5000 0.3550 0.6450

band No. band energies occupation
1 -5.5699 1.00000
2 -3.1288 1.00000
3 0.5116 1.00000
4 2.0867 1.00000
5 8.3567 0.00000
6 8.6464 0.00000
7 12.0391 0.00000
8 12.4150 0.00000
9 13.1458 0.00000
10 17.2089 0.00000
11 17.7004 0.00000
12 18.4277 0.00000

k-point 92 : 0.5000 0.3500 0.6500

band No. band energies occupation
1 -5.5162 1.00000
2 -3.1443 1.00000
3 0.4419 1.00000
4 2.0024 1.00000
5 8.4301 0.00000
6 8.6793 0.00000
7 12.0365 0.00000
8 12.3008 0.00000
9 13.2357 0.00000
10 17.3868 0.00000
11 17.7449 0.00000
12 18.4582 0.00000

k-point 93 : 0.5000 0.3450 0.6550

band No. band energies occupation
1 -5.4609 1.00000
2 -3.1635 1.00000
3 0.3792 1.00000
4 1.9177 1.00000
5 8.5038 0.00000
6 8.7158 0.00000
7 11.9893 0.00000
8 12.1856 0.00000
9 13.3747 0.00000
10 17.5577 0.00000
11 17.7906 0.00000
12 18.4980 0.00000

k-point 94 : 0.5000 0.3400 0.6600

band No. band energies occupation
1 -5.4040 1.00000
2 -3.1865 1.00000
3 0.3237 1.00000
4 1.8328 1.00000
5 8.5781 0.00000
 6 8.7559 0.00000
7 11.9130 0.00000
8 12.0699 0.00000
9 13.5470 0.00000
10 17.7148 0.00000
11 17.8377 0.00000
12 18.5533 0.00000

k-point 95 : 0.5000 0.3350 0.6650

band No. band energies occupation
1 -5.3457 1.00000
2 -3.2136 1.00000
3 0.2755 1.00000
4 1.7479 1.00000
5 8.6532 0.00000
6 8.7994 0.00000
7 11.8197 0.00000
8 11.9541 0.00000
9 13.7405 0.00000
10 17.8495 0.00000
11 17.8862 0.00000
12 18.6311 0.00000

k-point 96 : 0.5000 0.3300 0.6700

band No. band energies occupation
1 -5.2858 1.00000
2 -3.2448 1.00000
3 0.2348 1.00000
4 1.6632 1.00000
5 8.7290 0.00000
6 8.8464 0.00000
7 11.7165 0.00000
8 11.8383 0.00000
9 13.9473 0.00000
10 17.9360 0.00000
11 17.9543 0.00000
12 18.7381 0.00000

k-point 97 : 0.5000 0.3250 0.6750

band No. band energies occupation
1 -5.2245 1.00000
2 -3.2801 1.00000
3 0.2016 1.00000
4 1.5789 1.00000
5 8.8059 0.00000
6 8.8970 0.00000
7 11.6079 0.00000
8 11.7229 0.00000
9 14.1631 0.00000
10 17.9875 0.00000
11 18.0271 0.00000
12 18.8749 0.00000

k-point 98 : 0.5000 0.3200 0.6800

band No. band energies occupation
1 -5.1618 1.00000
2 -3.3195 1.00000
3 0.1758 1.00000
4 1.4951 1.00000
 5 8.8837 0.00000
6 8.9505 0.00000
7 11.4963 0.00000
8 11.6080 0.00000
9 14.3847 0.00000
10 18.0403 0.00000
11 18.0723 0.00000
12 19.0352 0.00000

k-point 99 : 0.5000 0.3150 0.6850

band No. band energies occupation
1 -5.0979 1.00000
2 -3.3629 1.00000
3 0.1574 1.00000
4 1.4120 1.00000
5 8.9625 0.00000
6 9.0073 0.00000
7 11.3833 0.00000
8 11.4939 0.00000
9 14.6103 0.00000
10 18.0948 0.00000
11 18.0964 0.00000
12 19.2101 0.00000

k-point 100 : 0.5000 0.3100 0.6900

band No. band energies occupation
1 -5.0326 1.00000
2 -3.4102 1.00000
3 0.1463 1.00000
4 1.3298 1.00000
5 9.0424 0.00000
6 9.0671 0.00000
7 11.2700 0.00000
8 11.3805 0.00000
9 14.8384 0.00000
10 18.1048 0.00000
11 18.1512 0.00000
12 19.3911 0.00000

k-point 101 : 0.5000 0.3050 0.6950

band No. band energies occupation
1 -4.9661 1.00000
2 -3.4611 1.00000
3 0.1422 1.00000
4 1.2487 1.00000
5 9.1235 0.00000
6 9.1300 0.00000
7 11.1570 0.00000
8 11.2682 0.00000
9 15.0679 0.00000
10 18.1009 0.00000
11 18.2096 0.00000
12 19.5697 0.00000

k-point 102 : 0.5000 0.3000 0.7000

band No. band energies occupation
1 -4.8986 1.00000
2 -3.5154 1.00000
3 0.1449 1.00000
 4 1.1688 1.00000
5 9.1958 0.00000
6 9.2059 0.00000
7 11.0448 0.00000
8 11.1569 0.00000
9 15.2977 0.00000
10 18.0867 0.00000
11 18.2703 0.00000
12 19.7359 0.00000

k-point 103 : 0.5000 0.2950 0.7050

band No. band energies occupation
1 -4.8299 1.00000
2 -3.5730 1.00000
3 0.1541 1.00000
4 1.0903 1.00000
5 9.2645 0.00000
6 9.2895 0.00000
7 10.9338 0.00000
8 11.0468 0.00000
9 15.5268 0.00000
10 18.0629 0.00000
11 18.3338 0.00000
12 19.8762 0.00000

k-point 104 : 0.5000 0.2900 0.7100

band No. band energies occupation
1 -4.7603 1.00000
2 -3.6333 1.00000
3 0.1696 1.00000
4 1.0134 1.00000
5 9.3360 0.00000
6 9.3744 0.00000
7 10.8242 0.00000
8 10.9380 0.00000
9 15.7547 0.00000
10 18.0298 0.00000
11 18.4006 0.00000
12 19.9720 0.00000

k-point 105 : 0.5000 0.2850 0.7150

band No. band energies occupation
1 -4.6899 1.00000
2 -3.6962 1.00000
3 0.1908 1.00000
4 0.9383 1.00000
5 9.4101 0.00000
6 9.4606 0.00000
7 10.7160 0.00000
8 10.8301 0.00000
9 15.9790 0.00000
10 17.9869 0.00000
11 18.4714 0.00000
12 20.0035 0.00000

k-point 106 : 0.5000 0.2800 0.7200

band No. band energies occupation
1 -4.6186 1.00000
2 -3.7614 1.00000
 3 0.2177 1.00000
4 0.8651 1.00000
5 9.4869 0.00000
6 9.5480 0.00000
7 10.6099 0.00000
8 10.7240 0.00000
9 16.1990 0.00000
10 17.9337 0.00000
11 18.5468 0.00000
12 19.9649 0.00000

k-point 107 : 0.5000 0.2750 0.7250

band No. band energies occupation
1 -4.5468 1.00000
2 -3.8285 1.00000
3 0.2499 1.00000
4 0.7941 1.00000
5 9.5662 0.00000
6 9.6365 0.00000
7 10.5059 0.00000
8 10.6193 0.00000
9 16.4131 0.00000
10 17.8690 0.00000
11 18.6280 0.00000
12 19.8697 0.00000

k-point 108 : 0.5000 0.2700 0.7300

band No. band energies occupation
1 -4.4744 1.00000
2 -3.8972 1.00000
3 0.2870 1.00000
4 0.7254 1.00000
5 9.6478 0.00000
6 9.7260 0.00000
7 10.4042 0.00000
8 10.5162 0.00000
9 16.6195 0.00000
10 17.7915 0.00000
11 18.7162 0.00000
12 19.7403 0.00000

k-point 109 : 0.5000 0.2650 0.7350

band No. band energies occupation
1 -4.4016 1.00000
2 -3.9672 1.00000
3 0.3286 1.00000
4 0.6592 1.00000
5 9.7314 0.00000
6 9.8160 0.00000
7 10.3054 0.00000
8 10.4148 0.00000
9 16.8164 0.00000
10 17.6999 0.00000
11 18.8126 0.00000
12 19.5949 0.00000

k-point 110 : 0.5000 0.2600 0.7400

band No. band energies occupation
1 -4.3287 1.00000
 2 -4.0384 1.00000
3 0.3746 1.00000
4 0.5958 1.00000
5 9.8166 0.00000
6 9.9044 0.00000
7 10.2118 0.00000
8 10.3161 0.00000
9 17.0016 0.00000
10 17.5929 0.00000
11 18.9185 0.00000
12 19.4454 0.00000

k-point 111 : 0.5000 0.2550 0.7450

band No. band energies occupation
1 -4.2557 1.00000
2 -4.1103 1.00000
3 0.4245 1.00000
4 0.5354 1.00000
5 9.9015 0.00000
6 9.9801 0.00000
7 10.1346 0.00000
8 10.2214 0.00000
9 17.1733 0.00000
10 17.4696 0.00000
11 19.0349 0.00000
12 19.2998 0.00000

k-point 112 : 0.5000 0.2500 0.7500

band No. band energies occupation
1 -4.1828 1.00000
2 -4.1828 1.00000
3 0.4782 1.00000
4 0.4782 1.00000
5 9.9766 0.00000
6 9.9766 0.00000
7 10.1403 0.00000
8 10.1403 0.00000
9 17.3296 0.00000
10 17.3296 0.00000
11 19.1622 0.00000
12 19.1622 0.00000

k-point 113 : 0.5000 0.2431 0.7431

band No. band energies occupation
1 -4.1831 1.00000
2 -4.1831 1.00000
3 0.4799 1.00000
4 0.4799 1.00000
5 9.8555 0.00000
6 9.8555 0.00000
7 10.2633 0.00000
8 10.2633 0.00000
9 17.3295 0.00000
10 17.3295 0.00000
11 19.1617 0.00000
12 19.1617 0.00000

k-point 114 : 0.5000 0.2361 0.7361

band No. band energies occupation
 1 -4.1841 1.00000
2 -4.1841 1.00000
3 0.4847 1.00000
4 0.4847 1.00000
5 9.6800 0.00000
6 9.6800 0.00000
7 10.4444 0.00000
8 10.4444 0.00000
9 17.3291 0.00000
10 17.3291 0.00000
11 19.1603 0.00000
12 19.1603 0.00000

k-point 115 : 0.5000 0.2292 0.7292

band No. band energies occupation
1 -4.1857 1.00000
2 -4.1857 1.00000
3 0.4927 1.00000
4 0.4927 1.00000
5 9.5012 0.00000
6 9.5012 0.00000
7 10.6327 0.00000
8 10.6327 0.00000
9 17.3284 0.00000
10 17.3284 0.00000
11 19.1579 0.00000
12 19.1579 0.00000

k-point 116 : 0.5000 0.2222 0.7222

band No. band energies occupation
1 -4.1879 1.00000
2 -4.1879 1.00000
3 0.5038 1.00000
4 0.5038 1.00000
5 9.3231 0.00000
6 9.3231 0.00000
7 10.8240 0.00000
8 10.8240 0.00000
9 17.3275 0.00000
10 17.3275 0.00000
11 19.1546 0.00000
12 19.1546 0.00000

k-point 117 : 0.5000 0.2153 0.7153

band No. band energies occupation
1 -4.1907 1.00000
2 -4.1907 1.00000
3 0.5182 1.00000
4 0.5182 1.00000
5 9.1466 0.00000
6 9.1466 0.00000
7 11.0179 0.00000
8 11.0179 0.00000
9 17.3265 0.00000
10 17.3265 0.00000
11 19.1504 0.00000
12 19.1504 0.00000

k-point 118 : 0.5000 0.2083 0.7083

band No. band energies occupation
1 -4.1941 1.00000
2 -4.1941 1.00000
3 0.5355 1.00000
4 0.5355 1.00000
5 8.9722 0.00000
6 8.9722 0.00000
7 11.2131 0.00000
8 11.2131 0.00000
9 17.3252 0.00000
10 17.3252 0.00000
11 19.1454 0.00000
12 19.1454 0.00000

k-point 119 : 0.5000 0.2014 0.7014

band No. band energies occupation
1 -4.1980 1.00000
2 -4.1980 1.00000
3 0.5558 1.00000
4 0.5558 1.00000
5 8.8001 0.00000
6 8.8001 0.00000
7 11.4098 0.00000
8 11.4098 0.00000
9 17.3239 0.00000
10 17.3239 0.00000
11 19.1396 0.00000
12 19.1396 0.00000

k-point 120 : 0.5000 0.1944 0.6944

band No. band energies occupation
1 -4.2024 1.00000
2 -4.2024 1.00000
3 0.5789 1.00000
4 0.5789 1.00000
5 8.6303 0.00000
6 8.6303 0.00000
7 11.6078 0.00000
8 11.6078 0.00000
9 17.3225 0.00000
10 17.3225 0.00000
11 19.1331 0.00000
12 19.1331 0.00000

k-point 121 : 0.5000 0.1875 0.6875

band No. band energies occupation
1 -4.2073 1.00000
2 -4.2073 1.00000
3 0.6049 1.00000
4 0.6049 1.00000
5 8.4631 0.00000
6 8.4631 0.00000
7 11.8070 0.00000
8 11.8070 0.00000
9 17.3212 0.00000
10 17.3212 0.00000
11 19.1258 0.00000
12 19.1258 0.00000
k-point 122 : 0.5000 0.1806 0.6806
band No. band energies occupation
1 -4.2126 1.00000
2 -4.2126 1.00000
3 0.6335 1.00000
4 0.6335 1.00000
5 8.2986 0.00000
6 8.2986 0.00000
7 12.0072 0.00000
8 12.0072 0.00000
9 17.3200 0.00000
10 17.3200 0.00000
11 19.1181 0.00000
12 19.1181 0.00000

k-point 123 : 0.5000 0.1736 0.6736

band No. band energies occupation
1 -4.2183 1.00000
2 -4.2183 1.00000
3 0.6646 1.00000
4 0.6646 1.00000
5 8.1367 0.00000
6 8.1367 0.00000
7 12.2084 0.00000
8 12.2084 0.00000
9 17.3190 0.00000
10 17.3190 0.00000
11 19.1097 0.00000
12 19.1097 0.00000

k-point 124 : 0.5000 0.1667 0.6667

band No. band energies occupation
1 -4.2243 1.00000
2 -4.2243 1.00000
3 0.6981 1.00000
4 0.6981 1.00000
5 7.9780 0.00000
6 7.9780 0.00000
7 12.4102 0.00000
8 12.4102 0.00000
9 17.3183 0.00000
10 17.3183 0.00000
11 19.1010 0.00000
12 19.1010 0.00000

k-point 125 : 0.5000 0.1597 0.6597

band No. band energies occupation
1 -4.2306 1.00000
2 -4.2306 1.00000
3 0.7339 1.00000
4 0.7339 1.00000
5 7.8226 0.00000
6 7.8226 0.00000
7 12.6126 0.00000
8 12.6126 0.00000
9 17.3182 0.00000
10 17.3182 0.00000
11 19.0920 0.00000
12 19.0920 0.00000
k-point 126 : 0.5000 0.1528 0.6528
band No. band energies occupation
1 -4.2371 1.00000
2 -4.2371 1.00000
3 0.7718 1.00000
4 0.7718 1.00000
5 7.6704 0.00000
6 7.6704 0.00000
7 12.8153 0.00000
8 12.8153 0.00000
9 17.3187 0.00000
10 17.3187 0.00000
11 19.0828 0.00000
12 19.0828 0.00000

k-point 127 : 0.5000 0.1458 0.6458

band No. band energies occupation
1 -4.2437 1.00000
2 -4.2437 1.00000
3 0.8115 1.00000
4 0.8115 1.00000
5 7.5217 0.00000
6 7.5217 0.00000
7 13.0182 0.00000
8 13.0182 0.00000
9 17.3201 0.00000
10 17.3201 0.00000
11 19.0733 0.00000
12 19.0733 0.00000

k-point 128 : 0.5000 0.1389 0.6389

band No. band energies occupation
1 -4.2505 1.00000
2 -4.2505 1.00000
3 0.8529 1.00000
4 0.8529 1.00000
5 7.3766 0.00000
6 7.3766 0.00000
7 13.2209 0.00000
8 13.2209 0.00000
9 17.3225 0.00000
10 17.3225 0.00000
11 19.0637 0.00000
12 19.0637 0.00000

k-point 129 : 0.5000 0.1319 0.6319

band No. band energies occupation
1 -4.2573 1.00000
2 -4.2573 1.00000
3 0.8957 1.00000
4 0.8957 1.00000
5 7.2354 0.00000
6 7.2354 0.00000
7 13.4231 0.00000
8 13.4231 0.00000
9 17.3262 0.00000
10 17.3262 0.00000
11 19.0540 0.00000
 12 19.0540 0.00000

k-point 130 : 0.5000 0.1250 0.6250

band No. band energies occupation
1 -4.2641 1.00000
2 -4.2641 1.00000
3 0.9397 1.00000
4 0.9397 1.00000
5 7.0983 0.00000
6 7.0983 0.00000
7 13.6244 0.00000
8 13.6244 0.00000
9 17.3315 0.00000
10 17.3315 0.00000
11 19.0443 0.00000
12 19.0443 0.00000

k-point 131 : 0.5000 0.1181 0.6181

band No. band energies occupation
1 -4.2709 1.00000
2 -4.2709 1.00000
3 0.9847 1.00000
4 0.9847 1.00000
5 6.9654 0.00000
6 6.9654 0.00000
7 13.8245 0.00000
8 13.8245 0.00000
9 17.3387 0.00000
10 17.3387 0.00000
11 19.0346 0.00000
12 19.0346 0.00000

k-point 132 : 0.5000 0.1111 0.6111

band No. band energies occupation
1 -4.2775 1.00000
2 -4.2775 1.00000
3 1.0303 1.00000
4 1.0303 1.00000
5 6.8372 0.00000
6 6.8372 0.00000
7 14.0228 0.00000
8 14.0228 0.00000
9 17.3484 0.00000
10 17.3484 0.00000
11 19.0249 0.00000
12 19.0249 0.00000

k-point 133 : 0.5000 0.1042 0.6042

band No. band energies occupation
1 -4.2841 1.00000
2 -4.2841 1.00000
3 1.0762 1.00000
4 1.0762 1.00000
5 6.7138 0.00000
6 6.7138 0.00000
7 14.2187 0.00000
8 14.2187 0.00000
9 17.3610 0.00000
10 17.3610 0.00000
 11 19.0153 0.00000
12 19.0153 0.00000

k-point 134 : 0.5000 0.0972 0.5972

band No. band energies occupation
1 -4.2904 1.00000
2 -4.2904 1.00000
3 1.1221 1.00000
4 1.1221 1.00000
5 6.5955 0.00000
6 6.5955 0.00000
7 14.4113 0.00000
8 14.4113 0.00000
9 17.3771 0.00000
10 17.3771 0.00000
11 19.0058 0.00000
12 19.0058 0.00000

k-point 135 : 0.5000 0.0903 0.5903

band No. band energies occupation
1 -4.2965 1.00000
2 -4.2965 1.00000
3 1.1677 1.00000
4 1.1677 1.00000
5 6.4827 0.00000
6 6.4827 0.00000
7 14.5998 0.00000
8 14.5998 0.00000
9 17.3975 0.00000
10 17.3975 0.00000
11 18.9963 0.00000
12 18.9963 0.00000

k-point 136 : 0.5000 0.0833 0.5833

band No. band energies occupation
1 -4.3023 1.00000
2 -4.3023 1.00000
3 1.2125 1.00000
4 1.2125 1.00000
5 6.3757 0.00000
6 6.3757 0.00000
7 14.7831 0.00000
8 14.7831 0.00000
9 17.4232 0.00000
10 17.4232 0.00000
11 18.9867 0.00000
12 18.9867 0.00000

k-point 137 : 0.5000 0.0764 0.5764

band No. band energies occupation
1 -4.3079 1.00000
2 -4.3079 1.00000
3 1.2561 1.00000
4 1.2561 1.00000
5 6.2750 0.00000
6 6.2750 0.00000
7 14.9597 0.00000
8 14.9597 0.00000
9 17.4553 0.00000
 10 17.4553 0.00000
11 18.9771 0.00000
12 18.9771 0.00000

k-point 138 : 0.5000 0.0694 0.5694

band No. band energies occupation
1 -4.3130 1.00000
2 -4.3130 1.00000
3 1.2982 1.00000
4 1.2982 1.00000
5 6.1809 0.00000
6 6.1809 0.00000
7 15.1283 0.00000
8 15.1283 0.00000
9 17.4952 0.00000
10 17.4952 0.00000
11 18.9676 0.00000
12 18.9676 0.00000

k-point 139 : 0.5000 0.0625 0.5625

band No. band energies occupation
1 -4.3178 1.00000
2 -4.3178 1.00000
3 1.3382 1.00000
4 1.3382 1.00000
5 6.0939 0.00000
6 6.0939 0.00000
7 15.2868 0.00000
8 15.2868 0.00000
9 17.5440 0.00000
10 17.5440 0.00000
11 18.9570 0.00000
12 18.9570 0.00000

k-point 140 : 0.5000 0.0556 0.5556

band No. band energies occupation
1 -4.3221 1.00000
2 -4.3221 1.00000
3 1.3758 1.00000
4 1.3758 1.00000
5 6.0144 0.00000
6 6.0144 0.00000
7 15.4334 0.00000
8 15.4334 0.00000
9 17.6034 0.00000
10 17.6034 0.00000
11 18.9453 0.00000
12 18.9453 0.00000

k-point 141 : 0.5000 0.0486 0.5486

band No. band energies occupation
1 -4.3260 1.00000
2 -4.3260 1.00000
3 1.4103 1.00000
4 1.4103 1.00000
5 5.9428 0.00000
6 5.9428 0.00000
7 15.5661 0.00000
8 15.5661 0.00000
 9 17.6747 0.00000
10 17.6747 0.00000
11 18.9315 0.00000
12 18.9317 0.00000

k-point 142 : 0.5000 0.0417 0.5417

band No. band energies occupation
1 -4.3295 1.00000
2 -4.3295 1.00000
3 1.4414 1.00000
4 1.4414 1.00000
5 5.8795 0.00000
6 5.8795 0.00000
7 15.6830 0.00000
8 15.6830 0.00000
9 17.7591 0.00000
10 17.7591 0.00000
11 18.9141 0.00000
12 18.9142 0.00000

k-point 143 : 0.5000 0.0347 0.5347

band No. band energies occupation
1 -4.3324 1.00000
2 -4.3324 1.00000
3 1.4686 1.00000
4 1.4686 1.00000
5 5.8252 0.00000
6 5.8252 0.00000
7 15.7829 0.00000
8 15.7829 0.00000
9 17.8571 0.00000
10 17.8571 0.00000
11 18.8906 0.00000
12 18.8907 0.00000

k-point 144 : 0.5000 0.0278 0.5278

band No. band energies occupation
1 -4.3348 1.00000
2 -4.3348 1.00000
3 1.4915 1.00000
4 1.4915 1.00000
5 5.7801 0.00000
6 5.7801 0.00000
7 15.8647 0.00000
8 15.8647 0.00000
9 17.9682 0.00000
10 17.9682 0.00000
11 18.8562 0.00000
12 18.8564 0.00000

k-point 145 : 0.5000 0.0208 0.5208

band No. band energies occupation
1 -4.3367 1.00000
2 -4.3367 1.00000
3 1.5098 1.00000
4 1.5098 1.00000
5 5.7446 0.00000
6 5.7446 0.00000
7 15.9280 0.00000
 8 15.9280 0.00000
9 18.0912 0.00000
10 18.0912 0.00000
11 18.8041 0.00000
12 18.8042 0.00000

k-point 146 : 0.5000 0.0139 0.5139

band No. band energies occupation
1 -4.3381 1.00000
2 -4.3381 1.00000
3 1.5231 1.00000
4 1.5231 1.00000
5 5.7190 0.00000
6 5.7190 0.00000
7 15.9729 0.00000
8 15.9729 0.00000
9 18.2233 0.00000
10 18.2233 0.00000
11 18.7267 0.00000
12 18.7268 0.00000

k-point 147 : 0.5000 0.0069 0.5069

band No. band energies occupation
1 -4.3389 1.00000
2 -4.3389 1.00000
3 1.5312 1.00000
4 1.5312 1.00000
5 5.7036 0.00000
6 5.7036 0.00000
7 15.9999 0.00000
8 15.9999 0.00000
9 18.3605 0.00000
10 18.3605 0.00000
11 18.6221 0.00000
12 18.6222 0.00000

k-point 148 : 0.5000 0.0000 0.5000

band No. band energies occupation
1 -4.3392 1.00000
2 -4.3392 1.00000
3 1.5339 1.00000
4 1.5339 1.00000
5 5.6985 0.00000
6 5.6985 0.00000
7 16.0088 0.00000
8 16.0088 0.00000
9 18.4894 0.00000
10 18.4894 0.00000
11 18.5035 0.00000
12 18.5035 0.00000

k-point 149 : 0.4930 0.0000 0.4930

band No. band energies occupation
1 -4.4590 1.00000
2 -4.2182 1.00000
3 1.5349 1.00000
4 1.5349 1.00000
5 5.6696 0.00000
6 5.7297 0.00000
 7 15.9982 0.00000
8 15.9982 0.00000
9 18.3725 0.00000
10 18.5151 0.00000
11 18.5151 0.00000
12 18.6011 0.00000

k-point 150 : 0.4859 0.0000 0.4859

band No. band energies occupation
1 -4.5775 1.00000
2 -4.0959 1.00000
3 1.5378 1.00000
4 1.5378 1.00000
5 5.6432 0.00000
6 5.7634 0.00000
7 15.9668 0.00000
8 15.9668 0.00000
9 18.2510 0.00000
10 18.5492 0.00000
11 18.5492 0.00000
12 18.7070 0.00000

k-point 151 : 0.4789 0.0000 0.4789

band No. band energies occupation
1 -4.6947 1.00000
2 -3.9724 1.00000
3 1.5427 1.00000
4 1.5427 1.00000
5 5.6191 0.00000
6 5.7994 0.00000
7 15.9157 0.00000
8 15.9157 0.00000
9 18.1252 0.00000
10 18.6040 0.00000
11 18.6046 0.00000
12 18.8147 0.00000

k-point 152 : 0.4718 0.0000 0.4718

band No. band energies occupation
1 -4.8106 1.00000
2 -3.8477 1.00000
3 1.5497 1.00000
4 1.5497 1.00000
5 5.5974 0.00000
6 5.8380 0.00000
7 15.8482 0.00000
8 15.8482 0.00000
9 17.9959 0.00000
10 18.6778 0.00000
11 18.6791 0.00000
12 18.8083 0.00000

k-point 153 : 0.4648 0.0000 0.4648

band No. band energies occupation
1 -4.9252 1.00000
2 -3.7219 1.00000
3 1.5586 1.00000
4 1.5586 1.00000
5 5.5781 0.00000
 6 5.8790 0.00000
7 15.7663 0.00000
8 15.7663 0.00000
9 17.8632 0.00000
10 18.6863 0.00000
11 18.7678 0.00000
12 18.7686 0.00000

k-point 154 : 0.4577 0.0000 0.4577

band No. band energies occupation
1 -5.0383 1.00000
2 -3.5949 1.00000
3 1.5694 1.00000
4 1.5694 1.00000
5 5.5611 0.00000
6 5.9225 0.00000
7 15.6724 0.00000
8 15.6724 0.00000
9 17.7277 0.00000
10 18.5709 0.00000
11 18.8717 0.00000
12 18.8721 0.00000

k-point 155 : 0.4507 0.0000 0.4507

band No. band energies occupation
1 -5.1501 1.00000
2 -3.4668 1.00000
3 1.5823 1.00000
4 1.5823 1.00000
5 5.5465 0.00000
6 5.9684 0.00000
7 15.5687 0.00000
8 15.5687 0.00000
9 17.5894 0.00000
10 18.4557 0.00000
11 18.9869 0.00000
12 19.0489 0.00000

k-point 156 : 0.4437 0.0000 0.4437

band No. band energies occupation
1 -5.2605 1.00000
2 -3.3377 1.00000
3 1.5971 1.00000
4 1.5971 1.00000
5 5.5342 0.00000
6 6.0168 0.00000
7 15.4571 0.00000
8 15.4571 0.00000
9 17.4488 0.00000
10 18.3422 0.00000
11 19.1117 0.00000
12 19.1468 0.00000

k-point 157 : 0.4366 0.0000 0.4366

band No. band energies occupation
1 -5.3694 1.00000
2 -3.2075 1.00000
3 1.6140 1.00000
4 1.6140 1.00000
 5 5.5242 0.00000
6 6.0678 0.00000
7 15.3392 0.00000
8 15.3392 0.00000
9 17.3060 0.00000
10 18.2311 0.00000
11 19.2261 0.00000
12 19.2445 0.00000

k-point 158 : 0.4296 0.0000 0.4296

band No. band energies occupation
1 -5.4769 1.00000
2 -3.0763 1.00000
3 1.6327 1.00000
4 1.6327 1.00000
5 5.5165 0.00000
6 6.1211 0.00000
7 15.2161 0.00000
8 15.2162 0.00000
9 17.1612 0.00000
10 18.1219 0.00000
11 19.2458 0.00000
12 19.3838 0.00000

k-point 159 : 0.4225 0.0000 0.4225

band No. band energies occupation
1 -5.5830 1.00000
2 -2.9441 1.00000
3 1.6535 1.00000
4 1.6535 1.00000
5 5.5110 0.00000
6 6.1770 0.00000
7 15.0891 0.00000
8 15.0891 0.00000
9 17.0145 0.00000
10 18.0144 0.00000
11 19.2581 0.00000
12 19.5285 0.00000

k-point 160 : 0.4155 0.0000 0.4155

band No. band energies occupation
1 -5.6875 1.00000
2 -2.8110 1.00000
3 1.6761 1.00000
4 1.6761 1.00000
5 5.5078 0.00000
6 6.2353 0.00000
7 14.9587 0.00000
8 14.9587 0.00000
9 16.8662 0.00000
10 17.9087 0.00000
11 19.2456 0.00000
12 19.6777 0.00000

k-point 161 : 0.4085 0.0000 0.4085

band No. band energies occupation
1 -5.7906 1.00000
2 -2.6769 1.00000
3 1.7007 1.00000
 4 1.7007 1.00000
5 5.5069 0.00000
6 6.2961 0.00000
7 14.8258 0.00000
8 14.8258 0.00000
9 16.7165 0.00000
10 17.8049 0.00000
11 19.2266 0.00000
12 19.8305 0.00000

k-point 162 : 0.4014 0.0000 0.4014

band No. band energies occupation
1 -5.8922 1.00000
2 -2.5419 1.00000
3 1.7273 1.00000
4 1.7273 1.00000
5 5.5082 0.00000
6 6.3593 0.00000
7 14.6907 0.00000
8 14.6907 0.00000
9 16.5653 0.00000
10 17.7029 0.00000
11 19.1919 0.00000
12 19.9858 0.00000

k-point 163 : 0.3944 0.0000 0.3944

band No. band energies occupation
1 -5.9922 1.00000
2 -2.4060 1.00000
3 1.7558 1.00000
4 1.7558 1.00000
5 5.5117 0.00000
6 6.4250 0.00000
7 14.5540 0.00000
8 14.5540 0.00000
9 16.4129 0.00000
10 17.6027 0.00000
11 19.1416 0.00000
12 20.1426 0.00000

k-point 164 : 0.3873 0.0000 0.3873

band No. band energies occupation
1 -6.0907 1.00000
2 -2.2693 1.00000
3 1.7862 1.00000
4 1.7862 1.00000
5 5.5174 0.00000
6 6.4932 0.00000
7 14.4159 0.00000
8 14.4159 0.00000
9 16.2594 0.00000
10 17.5043 0.00000
11 19.0763 0.00000
12 20.2990 0.00000

k-point 165 : 0.3803 0.0000 0.3803

band No. band energies occupation
1 -6.1876 1.00000
2 -2.1318 1.00000
 3 1.8185 1.00000
4 1.8185 1.00000
5 5.5253 0.00000
6 6.5638 0.00000
7 14.2767 0.00000
8 14.2767 0.00000
9 16.1049 0.00000
10 17.4077 0.00000
11 18.9967 0.00000
12 20.4520 0.00000

k-point 166 : 0.3732 0.0000 0.3732

band No. band energies occupation
1 -6.2829 1.00000
2 -1.9935 1.00000
3 1.8528 1.00000
4 1.8528 1.00000
5 5.5354 0.00000
6 6.6367 0.00000
7 14.1367 0.00000
8 14.1367 0.00000
9 15.9495 0.00000
10 17.3129 0.00000
11 18.9036 0.00000
12 20.5940 0.00000

k-point 167 : 0.3662 0.0000 0.3662

band No. band energies occupation
1 -6.3767 1.00000
2 -1.8544 1.00000
3 1.8890 1.00000
4 1.8890 1.00000
5 5.5476 0.00000
6 6.7120 0.00000
7 13.9960 0.00000
8 13.9960 0.00000
9 15.7934 0.00000
10 17.2199 0.00000
11 18.7981 0.00000
12 20.7067 0.00000

k-point 168 : 0.3592 0.0000 0.3592

band No. band energies occupation
1 -6.4688 1.00000
2 -1.7147 1.00000
3 1.9270 1.00000
4 1.9270 1.00000
5 5.5620 0.00000
6 6.7897 0.00000
7 13.8547 0.00000
8 13.8547 0.00000
9 15.6366 0.00000
10 17.1287 0.00000
11 18.6815 0.00000
12 20.7484 0.00000

k-point 169 : 0.3521 0.0000 0.3521

band No. band energies occupation
1 -6.5593 1.00000
 2 -1.5742 1.00000
3 1.9670 1.00000
4 1.9670 1.00000
5 5.5784 0.00000
6 6.8696 0.00000
7 13.7130 0.00000
8 13.7130 0.00000
9 15.4792 0.00000
10 17.0393 0.00000
11 18.5550 0.00000
12 20.6880 0.00000

k-point 170 : 0.3451 0.0000 0.3451

band No. band energies occupation
1 -6.6482 1.00000
2 -1.4329 1.00000
3 2.0088 1.00000
4 2.0088 1.00000
5 5.5970 0.00000
6 6.9520 0.00000
7 13.5710 0.00000
8 13.5710 0.00000
9 15.3215 0.00000
10 16.9517 0.00000
11 18.4198 0.00000
12 20.5638 0.00000

k-point 171 : 0.3380 0.0000 0.3380

band No. band energies occupation
1 -6.7355 1.00000
2 -1.2912 1.00000
3 2.0526 1.00000
4 2.0526 1.00000
5 5.6177 0.00000
6 7.0364 0.00000
7 13.4288 0.00000
8 13.4288 0.00000
9 15.1636 0.00000
10 16.8661 0.00000
11 18.2770 0.00000
12 20.4150 0.00000

k-point 172 : 0.3310 0.0000 0.3310

band No. band energies occupation
1 -6.8211 1.00000
2 -1.1488 1.00000
3 2.0982 1.00000
4 2.0982 1.00000
5 5.6404 0.00000
6 7.1228 0.00000
7 13.2863 0.00000
8 13.2863 0.00000
9 15.0056 0.00000
10 16.7821 0.00000
11 18.1276 0.00000
12 20.2571 0.00000

k-point 173 : 0.3239 0.0000 0.3239

band No. band energies occupation
 1 -6.9051 1.00000
2 -1.0060 1.00000
3 2.1455 1.00000
4 2.1455 1.00000
5 5.6651 0.00000
6 7.2112 0.00000
7 13.1431 0.00000
8 13.1431 0.00000
9 14.8471 0.00000
10 16.6994 0.00000
11 17.9716 0.00000
12 20.0960 0.00000

k-point 174 : 0.3169 0.0000 0.3169

band No. band energies occupation
1 -6.9873 1.00000
2 -0.8625 1.00000
3 2.1947 1.00000
4 2.1947 1.00000
5 5.6919 0.00000
6 7.3014 0.00000
7 13.0005 0.00000
8 13.0005 0.00000
9 14.6894 0.00000
10 16.6190 0.00000
11 17.8119 0.00000
12 19.9358 0.00000

k-point 175 : 0.3099 0.0000 0.3099

band No. band energies occupation
1 -7.0679 1.00000
2 -0.7186 1.00000
3 2.2457 1.00000
4 2.2457 1.00000
5 5.7206 0.00000
6 7.3934 0.00000
7 12.8576 0.00000
8 12.8576 0.00000
9 14.5321 0.00000
10 16.5403 0.00000
11 17.6483 0.00000
12 19.7768 0.00000

k-point 176 : 0.3028 0.0000 0.3028

band No. band energies occupation
1 -7.1468 1.00000
2 -0.5741 1.00000
3 2.2985 1.00000
4 2.2985 1.00000
5 5.7513 0.00000
6 7.4870 0.00000
7 12.7150 0.00000
8 12.7150 0.00000
9 14.3756 0.00000
10 16.4635 0.00000
11 17.4816 0.00000
12 19.6204 0.00000

k-point 177 : 0.2958 0.0000 0.2958

band No. band energies occupation
1 -7.2240 1.00000
2 -0.4292 1.00000
3 2.3530 1.00000
4 2.3530 1.00000
5 5.7839 0.00000
6 7.5820 0.00000
7 12.5723 0.00000
8 12.5723 0.00000
9 14.2201 0.00000
10 16.3885 0.00000
11 17.3123 0.00000
12 19.4667 0.00000

k-point 178 : 0.2887 0.0000 0.2887

band No. band energies occupation
1 -7.2995 1.00000
2 -0.2839 1.00000
3 2.4093 1.00000
4 2.4093 1.00000
5 5.8185 0.00000
6 7.6782 0.00000
7 12.4298 0.00000
8 12.4298 0.00000
9 14.0658 0.00000
10 16.3152 0.00000
11 17.1410 0.00000
12 19.3158 0.00000

k-point 179 : 0.2817 0.0000 0.2817

band No. band energies occupation
1 -7.3733 1.00000
2 -0.1382 1.00000
3 2.4674 1.00000
4 2.4674 1.00000
5 5.8549 0.00000
6 7.7753 0.00000
7 12.2874 0.00000
8 12.2874 0.00000
9 13.9131 0.00000
10 16.2438 0.00000
11 16.9683 0.00000
12 19.1681 0.00000

k-point 180 : 0.2746 0.0000 0.2746

band No. band energies occupation
1 -7.4453 1.00000
2 0.0079 1.00000
3 2.5271 1.00000
4 2.5271 1.00000
5 5.8932 0.00000
6 7.8730 0.00000
7 12.1451 0.00000
8 12.1451 0.00000
9 13.7623 0.00000
10 16.1741 0.00000
11 16.7946 0.00000
12 19.0238 0.00000
k-point 181 : 0.2676 0.0000 0.2676
band No. band energies occupation
1 -7.5157 1.00000
2 0.1544 1.00000
3 2.5886 1.00000
4 2.5886 1.00000
5 5.9334 0.00000
6 7.9709 0.00000
7 12.0030 0.00000
8 12.0030 0.00000
9 13.6140 0.00000
10 16.1062 0.00000
11 16.6202 0.00000
12 18.8827 0.00000

k-point 182 : 0.2606 0.0000 0.2606

band No. band energies occupation
1 -7.5842 1.00000
2 0.3012 1.00000
3 2.6517 1.00000
4 2.6517 1.00000
5 5.9753 0.00000
6 8.0686 0.00000
7 11.8611 0.00000
8 11.8611 0.00000
9 13.4685 0.00000
10 16.0401 0.00000
11 16.4456 0.00000
12 18.7452 0.00000

k-point 183 : 0.2535 0.0000 0.2535

band No. band energies occupation
1 -7.6510 1.00000
2 0.4483 1.00000
3 2.7164 1.00000
4 2.7164 1.00000
5 6.0190 0.00000
6 8.1656 0.00000
7 11.7195 0.00000
8 11.7195 0.00000
9 13.3265 0.00000
10 15.9758 0.00000
11 16.2710 0.00000
12 18.6111 0.00000

k-point 184 : 0.2465 0.0000 0.2465

band No. band energies occupation
1 -7.7161 1.00000
2 0.5956 1.00000
3 2.7828 1.00000
4 2.7828 1.00000
5 6.0643 0.00000
6 8.2612 0.00000
7 11.5781 0.00000
8 11.5781 0.00000
9 13.1886 0.00000
10 15.9132 0.00000
11 16.0967 0.00000
12 18.4807 0.00000
k-point 185 : 0.2394 0.0000 0.2394
band No. band energies occupation
1 -7.7794 1.00000
2 0.7432 1.00000
3 2.8507 1.00000
4 2.8507 1.00000
5 6.1114 0.00000
6 8.3547 0.00000
7 11.4371 0.00000
8 11.4371 0.00000
9 13.0557 0.00000
10 15.8525 0.00000
11 15.9230 0.00000
12 18.3538 0.00000

k-point 186 : 0.2324 0.0000 0.2324

band No. band energies occupation
1 -7.8409 1.00000
2 0.8911 1.00000
3 2.9202 1.00000
4 2.9202 1.00000
5 6.1600 0.00000
6 8.4452 0.00000
7 11.2964 0.00000
8 11.2964 0.00000
9 12.9286 0.00000
10 15.7502 0.00000
11 15.7935 0.00000
12 18.2306 0.00000

k-point 187 : 0.2254 0.0000 0.2254

band No. band energies occupation
1 -7.9006 1.00000
2 1.0391 1.00000
3 2.9912 1.00000
4 2.9912 1.00000
5 6.2102 0.00000
6 8.5317 0.00000
7 11.1561 0.00000
8 11.1561 0.00000
9 12.8084 0.00000
10 15.5784 0.00000
11 15.7363 0.00000
12 18.1110 0.00000

k-point 188 : 0.2183 0.0000 0.2183

band No. band energies occupation
1 -7.9586 1.00000
2 1.1873 1.00000
3 3.0637 1.00000
4 3.0637 1.00000
5 6.2620 0.00000
6 8.6130 0.00000
7 11.0163 0.00000
8 11.0163 0.00000
9 12.6965 0.00000
10 15.4079 0.00000
11 15.6808 0.00000
 12 17.9951 0.00000

k-point 189 : 0.2113 0.0000 0.2113

band No. band energies occupation
1 -8.0148 1.00000
2 1.3357 1.00000
3 3.1376 1.00000
4 3.1376 1.00000
5 6.3151 0.00000
6 8.6877 0.00000
7 10.8771 0.00000
8 10.8771 0.00000
9 12.5941 0.00000
10 15.2389 0.00000
11 15.6271 0.00000
12 17.8829 0.00000

k-point 190 : 0.2042 0.0000 0.2042

band No. band energies occupation
1 -8.0691 1.00000
2 1.4842 1.00000
3 3.2128 1.00000
4 3.2128 1.00000
5 6.3697 0.00000
6 8.7544 0.00000
7 10.7383 0.00000
8 10.7383 0.00000
9 12.5029 0.00000
10 15.0715 0.00000
11 15.5753 0.00000
12 17.7745 0.00000

k-point 191 : 0.1972 0.0000 0.1972

band No. band energies occupation
1 -8.1217 1.00000
2 1.6329 1.00000
3 3.2894 1.00000
4 3.2894 1.00000
5 6.4256 0.00000
6 8.8113 0.00000
7 10.6002 0.00000
8 10.6002 0.00000
9 12.4244 0.00000
10 14.9060 0.00000
11 15.5251 0.00000
12 17.6698 0.00000

k-point 192 : 0.1901 0.0000 0.1901

band No. band energies occupation
1 -8.1725 1.00000
2 1.7816 1.00000
3 3.3673 1.00000
4 3.3673 1.00000
5 6.4826 0.00000
6 8.8567 0.00000
7 10.4629 0.00000
8 10.4629 0.00000
9 12.3604 0.00000
10 14.7425 0.00000
 11 15.4768 0.00000
12 17.5687 0.00000

k-point 193 : 0.1831 0.0000 0.1831

band No. band energies occupation
1 -8.2214 1.00000
2 1.9304 1.00000
3 3.4463 1.00000
4 3.4463 1.00000
5 6.5408 0.00000
6 8.8891 0.00000
7 10.3262 0.00000
8 10.3262 0.00000
9 12.3126 0.00000
10 14.5813 0.00000
11 15.4302 0.00000
12 17.4715 0.00000

k-point 194 : 0.1761 0.0000 0.1761

band No. band energies occupation
1 -8.2686 1.00000
2 2.0792 1.00000
3 3.5265 1.00000
4 3.5265 1.00000
5 6.6001 0.00000
6 8.9071 0.00000
7 10.1905 0.00000
8 10.1905 0.00000
9 12.2822 0.00000
10 14.4224 0.00000
11 15.3854 0.00000
12 17.3780 0.00000

k-point 195 : 0.1690 0.0000 0.1690

band No. band energies occupation
1 -8.3139 1.00000
2 2.2280 1.00000
3 3.6078 1.00000
4 3.6078 1.00000
5 6.6602 0.00000
6 8.9095 0.00000
7 10.0557 0.00000
8 10.0557 0.00000
9 12.2704 0.00000
10 14.2660 0.00000
11 15.3423 0.00000
12 17.2882 0.00000

k-point 196 : 0.1620 0.0000 0.1620

band No. band energies occupation
1 -8.3574 1.00000
2 2.3768 1.00000
3 3.6900 1.00000
4 3.6900 1.00000
5 6.7212 0.00000
6 8.8960 0.00000
7 9.9220 0.00000
8 9.9220 0.00000
9 12.2777 0.00000
 10 14.1124 0.00000
11 15.3010 0.00000
12 17.2021 0.00000

k-point 197 : 0.1549 0.0000 0.1549

band No. band energies occupation
1 -8.3991 1.00000
2 2.5255 1.00000
3 3.7731 1.00000
4 3.7731 1.00000
5 6.7829 0.00000
6 8.8665 0.00000
7 9.7894 0.00000
8 9.7894 0.00000
9 12.3039 0.00000
10 13.9618 0.00000
11 15.2615 0.00000
12 17.1198 0.00000

k-point 198 : 0.1479 0.0000 0.1479

band No. band energies occupation
1 -8.4390 1.00000
2 2.6741 1.00000
3 3.8569 1.00000
4 3.8569 1.00000
5 6.8451 0.00000
6 8.8215 0.00000
7 9.6581 0.00000
8 9.6581 0.00000
9 12.3486 0.00000
10 13.8142 0.00000
11 15.2237 0.00000
12 17.0413 0.00000

k-point 199 : 0.1408 0.0000 0.1408

band No. band energies occupation
1 -8.4770 1.00000
2 2.8226 1.00000
3 3.9414 1.00000
4 3.9414 1.00000
5 6.9076 0.00000
6 8.7623 0.00000
7 9.5283 0.00000
8 9.5283 0.00000
9 12.4105 0.00000
10 13.6701 0.00000
11 15.1877 0.00000
12 16.9664 0.00000

k-point 200 : 0.1338 0.0000 0.1338

band No. band energies occupation
1 -8.5132 1.00000
2 2.9708 1.00000
3 4.0263 1.00000
4 4.0263 1.00000
5 6.9703 0.00000
6 8.6900 0.00000
7 9.4001 0.00000
8 9.4001 0.00000
 9 12.4884 0.00000
10 13.5295 0.00000
11 15.1535 0.00000
12 16.8953 0.00000

k-point 201 : 0.1268 0.0000 0.1268

band No. band energies occupation
1 -8.5475 1.00000
2 3.1187 1.00000
3 4.1115 1.00000
4 4.1115 1.00000
5 7.0330 0.00000
6 8.6062 0.00000
7 9.2737 0.00000
8 9.2737 0.00000
9 12.5805 0.00000
10 13.3927 0.00000
11 15.1210 0.00000
12 16.8279 0.00000

k-point 202 : 0.1197 0.0000 0.1197

band No. band energies occupation
1 -8.5800 1.00000
2 3.2662 1.00000
3 4.1969 1.00000
4 4.1969 1.00000
5 7.0955 0.00000
6 8.5126 0.00000
7 9.1492 0.00000
8 9.1492 0.00000
9 12.6854 0.00000
10 13.2600 0.00000
11 15.0903 0.00000
12 16.7642 0.00000

k-point 203 : 0.1127 0.0000 0.1127

band No. band energies occupation
1 -8.6107 1.00000
2 3.4132 1.00000
3 4.2822 1.00000
4 4.2822 1.00000
5 7.1575 0.00000
6 8.4106 0.00000
7 9.0271 0.00000
8 9.0271 0.00000
9 12.8013 0.00000
10 13.1316 0.00000
11 15.0613 0.00000
12 16.7042 0.00000

k-point 204 : 0.1056 0.0000 0.1056

band No. band energies occupation
1 -8.6395 1.00000
2 3.5598 1.00000
3 4.3675 1.00000
4 4.3675 1.00000
5 7.2192 0.00000
6 8.3018 0.00000
7 8.9075 0.00000
 8 8.9075 0.00000
9 12.9270 0.00000
10 13.0082 0.00000
11 15.0341 0.00000
12 16.6481 0.00000

k-point 205 : 0.0986 0.0000 0.0986

band No. band energies occupation
1 -8.6665 1.00000
2 3.7054 1.00000
3 4.4518 1.00000
4 4.4518 1.00000
5 7.2793 0.00000
6 8.1873 0.00000
7 8.7906 0.00000
8 8.7906 0.00000
9 12.8895 0.00000
10 13.0606 0.00000
11 15.0087 0.00000
12 16.5955 0.00000

k-point 206 : 0.0915 0.0000 0.0915

band No. band energies occupation
1 -8.6916 1.00000
2 3.8503 1.00000
3 4.5350 1.00000
4 4.5350 1.00000
5 7.3381 0.00000
6 8.0685 0.00000
7 8.6769 0.00000
8 8.6769 0.00000
9 12.7761 0.00000
10 13.2015 0.00000
11 14.9850 0.00000
12 16.5467 0.00000

k-point 207 : 0.0845 0.0000 0.0845

band No. band energies occupation
1 -8.7148 1.00000
2 3.9936 1.00000
3 4.6169 1.00000
4 4.6169 1.00000
5 7.3951 0.00000
6 7.9464 0.00000
7 8.5669 0.00000
8 8.5669 0.00000
9 12.6685 0.00000
10 13.3473 0.00000
11 14.9631 0.00000
12 16.5014 0.00000

k-point 208 : 0.0775 0.0000 0.0775

band No. band energies occupation
1 -8.7362 1.00000
2 4.1352 1.00000
3 4.6968 1.00000
4 4.6968 1.00000
5 7.4500 0.00000
6 7.8221 0.00000
 7 8.4609 0.00000
8 8.4609 0.00000
9 12.5669 0.00000
10 13.4975 0.00000
11 14.9429 0.00000
12 16.4598 0.00000

k-point 209 : 0.0704 0.0000 0.0704

band No. band energies occupation
1 -8.7558 1.00000
2 4.2748 1.00000
3 4.7743 1.00000
4 4.7743 1.00000
5 7.5023 0.00000
6 7.6968 0.00000
7 8.3595 0.00000
8 8.3595 0.00000
9 12.4719 0.00000
10 13.6506 0.00000
11 14.9245 0.00000
12 16.4218 0.00000

k-point 210 : 0.0634 0.0000 0.0634

band No. band energies occupation
1 -8.7735 1.00000
2 4.4119 1.00000
3 4.8489 1.00000
4 4.8489 1.00000
5 7.5519 0.00000
6 7.5715 0.00000
7 8.2636 0.00000
8 8.2636 0.00000
9 12.3841 0.00000
10 13.8054 0.00000
11 14.9078 0.00000
12 16.3876 0.00000

k-point 211 : 0.0563 0.0000 0.0563

band No. band energies occupation
1 -8.7893 1.00000
2 4.5453 1.00000
3 4.9194 1.00000
4 4.9194 1.00000
5 7.4475 0.00000
6 7.5978 0.00000
7 8.1737 0.00000
8 8.1737 0.00000
9 12.3036 0.00000
10 13.9606 0.00000
11 14.8929 0.00000
12 16.3569 0.00000

k-point 212 : 0.0493 0.0000 0.0493

band No. band energies occupation
1 -8.8033 1.00000
2 4.6742 1.00000
3 4.9853 1.00000
4 4.9853 1.00000
5 7.3263 0.00000
 6 7.6397 0.00000
7 8.0907 0.00000
8 8.0907 0.00000
9 12.2310 0.00000
10 14.1142 0.00000
11 14.8798 0.00000
12 16.3299 0.00000

k-point 213 : 0.0423 0.0000 0.0423

band No. band energies occupation
1 -8.8154 1.00000
2 4.7969 1.00000
3 5.0456 1.00000
4 5.0456 1.00000
5 7.2096 0.00000
6 7.6773 0.00000
7 8.0156 0.00000
8 8.0156 0.00000
9 12.1669 0.00000
10 14.2643 0.00000
11 14.8684 0.00000
12 16.3064 0.00000

k-point 214 : 0.0352 0.0000 0.0352

band No. band energies occupation
1 -8.8257 1.00000
2 4.9114 1.00000
3 5.0992 1.00000
4 5.0992 1.00000
5 7.0998 0.00000
6 7.7101 0.00000
7 7.9494 0.00000
8 7.9494 0.00000
9 12.1117 0.00000
10 14.4079 0.00000
11 14.8587 0.00000
12 16.2866 0.00000

k-point 215 : 0.0282 0.0000 0.0282

band No. band energies occupation
1 -8.8340 1.00000
2 5.0149 1.00000
3 5.1451 1.00000
4 5.1451 1.00000
5 7.0000 0.00000
6 7.7376 0.00000
7 7.8932 0.00000
8 7.8932 0.00000
9 12.0658 0.00000
10 14.5411 0.00000
11 14.8509 0.00000
12 16.2704 0.00000

k-point 216 : 0.0211 0.0000 0.0211

band No. band energies occupation
1 -8.8406 1.00000
2 5.1034 1.00000
3 5.1822 1.00000
4 5.1822 1.00000
 5 6.9141 0.00000
6 7.7594 0.00000
7 7.8481 0.00000
8 7.8481 0.00000
9 12.0297 0.00000
10 14.6586 0.00000
11 14.8447 0.00000
12 16.2578 0.00000

k-point 217 : 0.0141 0.0000 0.0141

band No. band energies occupation
1 -8.8452 1.00000
2 5.1724 1.00000
3 5.2095 1.00000
4 5.2095 1.00000
5 6.8470 0.00000
6 7.7752 0.00000
7 7.8150 0.00000
8 7.8150 0.00000
9 12.0036 0.00000
10 14.7528 0.00000
11 14.8403 0.00000
12 16.2488 0.00000

k-point 218 : 0.0070 0.0000 0.0070

band No. band energies occupation
1 -8.8480 1.00000
2 5.2166 1.00000
3 5.2263 1.00000
4 5.2263 1.00000
5 6.8039 0.00000
6 7.7848 0.00000
7 7.7948 0.00000
8 7.7948 0.00000
9 11.9879 0.00000
10 14.8150 0.00000
11 14.8377 0.00000
12 16.2434 0.00000

k-point 219 : 0.0000 0.0000 0.0000

band No. band energies occupation
1 -8.8489 1.00000
2 5.2319 1.00000
3 5.2319 1.00000
4 5.2319 1.00000
5 6.7889 0.00000
6 7.7881 0.00000
7 7.7881 0.00000
8 7.7881 0.00000
9 11.9826 0.00000
10 14.8368 0.00000
11 14.8368 0.00000
12 16.2416 0.00000

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

soft charge-density along one line, spin component 2

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

pseudopotential strength for first ion, spin component: 1

14.167 17.666 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000
17.666 22.044 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000
-0.000 -0.000 3.183 0.000 0.000 5.419 0.000 0.000
-0.000 -0.000 0.000 3.183 0.000 0.000 5.419 0.000
-0.000 -0.000 0.000 0.000 3.183 0.000 0.000 5.419
-0.000 -0.000 5.419 0.000 0.000 9.282 0.000 0.000
-0.000 -0.000 0.000 5.419 0.000 0.000 9.282 0.000
-0.000 -0.000 0.000 0.000 5.419 0.000 0.000 9.282
0.000 0.000 -0.000 -0.004 -0.000 -0.000 -0.007 -0.000
0.000 0.000 -0.000 -0.000 -0.004 -0.000 -0.000 -0.007
0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000
0.000 0.000 -0.004 -0.000 -0.000 -0.007 -0.000 -0.000
0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000
pseudopotential strength for first ion, spin component: 2
14.167 17.666 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000
17.666 22.044 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000
-0.000 -0.000 3.183 0.000 0.000 5.419 0.000 0.000
-0.000 -0.000 0.000 3.183 0.000 0.000 5.419 0.000
-0.000 -0.000 0.000 0.000 3.183 0.000 0.000 5.419
-0.000 -0.000 5.419 0.000 0.000 9.282 0.000 0.000
-0.000 -0.000 0.000 5.419 0.000 0.000 9.282 0.000
-0.000 -0.000 0.000 0.000 5.419 0.000 0.000 9.282
0.000 0.000 -0.000 -0.004 -0.000 -0.000 -0.007 -0.000
0.000 0.000 -0.000 -0.000 -0.004 -0.000 -0.000 -0.007
0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000
0.000 0.000 -0.004 -0.000 -0.000 -0.007 -0.000 -0.000
0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000
total augmentation occupancy for first ion, spin component: 1
2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.667 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000 0.667 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.667 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
total augmentation occupancy for first ion, spin component: 2
0.500 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.167 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000 0.167 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.167 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000

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

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

total charge

# of ion s p d tot
----------------------------------------
1 1.050 1.557 0.109 2.715
2 1.050 1.557 0.109 2.715
------------------------------------------------
tot 2.100 3.113 0.217 5.430

magnetization (x)

# of ion s p d tot
----------------------------------------
1 -0.000 -0.000 0.000 -0.000
2 -0.000 -0.000 0.000 -0.000
------------------------------------------------
tot -0.000 -0.000 0.000 -0.000

CHARGE: cpu time 0.0360: real time 0.0358

FORLOC: cpu time 0.0000: real time 0.0003
FORNL : cpu time 0.1520: real time 0.1532
STRESS: cpu time 0.6680: real time 0.6691
FORCOR: cpu time 0.0120: real time 0.0104
FORHAR: cpu time 0.0000: real time 0.0012
OFIELD: cpu time 0.0000: real time 0.0000

FORCE on cell =-STRESS in cart. coord. units (eV):

Direction XX YY ZZ XY YZ ZX

-----------------------------------------------------------------------------------
---
Alpha Z 19.69722 19.69722 19.69722
Ewald -76.97257 -76.97257 -76.97257 -0.00000 -0.00000 0.00000
Hartree 5.11631 5.11631 5.11631 0.00000 0.00000 0.00000
E(xc) -28.88971 -28.88971 -28.88971 0.00000 0.00000 0.00000
Local -24.59817 -24.59817 -24.59817 0.00006 0.00006 0.00006
n-local 45.66251 42.61114 45.10629 -0.89175 -0.68051 -0.89165
augment 2.47885 2.47885 2.47885 -0.00006 -0.00006 -0.00006
Kinetic 68.92214 65.05328 70.88325 -2.26946 -2.04340 -2.26946
Fock 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000

-----------------------------------------------------------------------------------
--
Total 9.57813 9.57813 9.57813 -0.00000 0.00000 -0.00000
in kB 395.36860 395.36860 395.36860 -0.00000 0.00000 -0.00000
external pressure = 395.37 kB Pullay stress = 0.00 kB

VOLUME and BASIS-vectors are now :

-----------------------------------------------------------------------------
energy-cutoff : 217.26
volume of cell : 38.81
direct lattice vectors reciprocal lattice vectors
0.000000000 2.687322000 2.687322000 -0.186058835 0.186058835
0.186058835
2.687322000 0.000000000 2.687322000 0.186058835 -0.186058835
0.186058835
2.687322000 2.687322000 0.000000000 0.186058835 0.186058835 -
0.186058835

length of vectors
3.800447219 3.800447219 3.800447219 0.322263355 0.322263355
0.322263355

FORCES acting on ions

electron-ion (+dipol) ewald-force non-local-force
convergence-correction

-----------------------------------------------------------------------------------
------------
0.271E-05 0.271E-05 0.129E-05 0.376E-15 -.461E-15 0.747E-15 -.572E-16
-.538E-16 -.321E-16 -.110E-08 -.110E-08 -.110E-08
-.271E-05 -.271E-05 -.129E-05 -.362E-15 0.404E-15 -.100E-14 0.677E-16
0.520E-16 0.373E-16 0.110E-08 0.110E-08 0.110E-08

-----------------------------------------------------------------------------------
------------
0.529E-13 0.345E-13 0.175E-13 0.145E-16 -.564E-16 -.258E-15 0.104E-16
-.173E-17 0.520E-17 0.610E-14 0.568E-14 0.115E-15

POSITION TOTAL-FORCE (eV/Angst)

-----------------------------------------------------------------------------------
4.03098 4.03098 4.03098 -0.000000 -0.000000 -
0.000000
2.68732 2.68732 2.68732 0.000000 0.000000
0.000000

-----------------------------------------------------------------------------------
total drift: 0.000000 0.000000
0.000000

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

FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)

---------------------------------------------------
free energy TOTEN = -4.55044359 eV

energy without entropy= -4.55044359 energy(sigma->0) = -4.55044359

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

POTLOK: cpu time 0.0160: real time 0.0161

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

writing wavefunctions
LOOP+: cpu time 8.7640: real time 8.7643
4ORBIT: cpu time 0.0000: real time 0.0000

total charge

# of ion s p d tot
----------------------------------------
1 1.050 1.557 0.109 2.715
2 1.050 1.557 0.109 2.715
------------------------------------------------
tot 2.100 3.113 0.217 5.430
 magnetization (x)

# of ion s p d tot
----------------------------------------
1 -0.000 -0.000 0.000 -0.000
2 -0.000 -0.000 0.000 -0.000
------------------------------------------------
tot -0.000 -0.000 0.000 -0.000

total amount of memory used by VASP on root node 45008. kBytes

========================================================================

base : 30000. kBytes

nonl-proj : 6751. kBytes
fftplans : 319. kBytes
grid : 1095. kBytes
one-center: 32. kBytes
wavefun : 6811. kBytes

General timing and accounting informations for this job:

========================================================

Total CPU time used (sec): 9.336

User time (sec): 9.308
System time (sec): 0.028
Elapsed time (sec): 10.342

Maximum memory used (kb): 41788.

Average memory used (kb): 0.

Minor page faults: 6612

Major page faults: 7
Voluntary context switches: 8