./Stage_1/DFTDOS OUTCAR.out output for 1004: Bi2WO6_1_001_HSE06
Status:
terminated
vasp.6.4.1 05Apr23 (build Apr 16 2023 21:42:41) complex
MD_VERSION_INFO: Compiled 2023-04-16T20:12:19-UTC in mrdevlin:/home/medea/data/
build/vasp6.4.1/19212/x86_64/src/src/build/std from svn 19212
This VASP executable licensed from Materials Design, Inc.
executed on Lin64 date 2025.04.11 07:57:49
running 96 mpi-ranks, on 2 nodes
distrk: each k-point on 96 cores, 1 groups
distr: one band on NCORE= 12 cores, 8 groups
--------------------------------------------------------------------------------------------------------
INCAR:
LPLANE = .TRUE.
NCORE = 8
NPAR = 8
LSCALU = .FALSE.
NSIM = 4
SYSTEM = Bi2WO6_1_001_HSE06
LORBIT = 10
PREC = Normal
ENCUT = 400.000
IBRION = -1
NSW = 0
ISIF = 0
NELMIN = 2
EDIFF = 1.0e-08
VOSKOWN = 1
NWRITE = 1
NELM = 60
ALGO = All
TIME = 0.4
NKREDX = 2
NKREDY = 2
NKREDZ = 2
IVDW = 12
VDW_S6 = 1.000
VDW_S8 = 0.7875
VDW_A1 = 0.4289
VDW_A2 = 4.4407
ISPIN = 2
INIWAV = 1
ISTART = 1
NBANDS = 480
ICHARG = 11
LWAVE = .TRUE.
LCHARG = .FALSE.
ADDGRID = .TRUE.
ISMEAR = 0
SIGMA = 0.05
LREAL = .FALSE.
LSCALAPACK = .FALSE.
RWIGS = 1.46 1.30 0.73
NEDOS = 2000
NPAR = 96
POTCAR: PAW_PBE Bi_d 06Sep2000
POTCAR: PAW_PBE W_sv 04Sep2015
POTCAR: PAW_PBE O 08Apr2002
-----------------------------------------------------------------------------
| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| You use a magnetic or noncollinear calculation, but did not specify |
| the initial magnetic moment with the MAGMOM tag. Note that a |
| default of 1 will be used for all atoms. This ferromagnetic setup |
| may break the symmetry of the crystal, in particular it may rule |
| out finding an antiferromagnetic solution. Thence, we recommend |
| setting the initial magnetic moment manually or verifying carefully |
| that this magnetic setup is desired. |
| |
-----------------------------------------------------------------------------
-----------------------------------------------------------------------------
| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| The value NCORE = 8 specified in the INCAR file was overwritten, |
| because it was not compatible with the 96 processes available: |
| NCORE = 12 |
| was used instead, please check that this makes sense for your |
| machine. |
| |
-----------------------------------------------------------------------------
POTCAR: PAW_PBE Bi_d 06Sep2000
local pseudopotential read in
partial core-charges read in
partial kinetic energy density read in
atomic valenz-charges read in
non local Contribution for L= 2 read in
real space projection operators read in
non local Contribution for L= 2 read in
real space projection operators read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
PAW grid and wavefunctions read in
number of l-projection operators is LMAX = 6
number of lm-projection operators is LMMAX = 18
POTCAR: PAW_PBE W_sv 04Sep2015
local pseudopotential read in
partial core-charges read in
partial kinetic energy density read in
kinetic energy density of atom read in
atomic valenz-charges read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
non local Contribution for L= 2 read in
real space projection operators read in
non local Contribution for L= 2 read in
real space projection operators read in
PAW grid and wavefunctions read in
number of l-projection operators is LMAX = 6
number of lm-projection operators is LMMAX = 18
POTCAR: PAW_PBE O 08Apr2002
local pseudopotential read in
partial core-charges read in
partial kinetic energy density read in
kinetic energy density of atom read in
atomic valenz-charges read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
PAW grid and wavefunctions read in
number of l-projection operators is LMAX = 4
number of lm-projection operators is LMMAX = 8
-----------------------------------------------------------------------------
| |
| ----> ADVICE to this user running VASP <---- |
| |
| You have a (more or less) 'large supercell' and for larger cells it |
| might be more efficient to use real-space projection operators. |
| Therefore, try LREAL= Auto in the INCAR file. |
| Mind: For very accurate calculation, you might also keep the |
| reciprocal projection scheme (i.e. LREAL=.FALSE.). |
| |
-----------------------------------------------------------------------------
PAW_PBE Bi_d 06Sep2000 :
energy of atom 1 EATOM=-1959.2045
kinetic energy error for atom= 0.0072 (will be added to EATOM!!)
PAW_PBE W_sv 04Sep2015 :
energy of atom 2 EATOM=-1865.5791
kinetic energy error for atom= 0.0065 (will be added to EATOM!!)
PAW_PBE O 08Apr2002 :
energy of atom 3 EATOM= -432.3788
kinetic energy error for atom= 0.1156 (will be added to EATOM!!)
POSCAR: Bi2WO6_1_001_HSE06
positions in direct lattice
No initial velocities read in
exchange correlation table for LEXCH = 8
RHO(1)= 0.500 N(1) = 2000
RHO(2)= 100.500 N(2) = 4000
--------------------------------------------------------------------------------------------------------
ion position nearest neighbor table
1 0.511 0.225 0.291- 46 2.10 45 2.11 41 2.29
2 0.239 0.475 0.291- 57 2.10 34 2.11 30 2.29
3 0.989 0.324 0.042- 48 2.10 47 2.12 40 2.29 25 2.61
4 0.261 0.074 0.042- 59 2.10 36 2.12 27 2.29 26 2.61
5 0.011 0.225 0.291- 34 2.10 33 2.11 29 2.29
6 0.739 0.475 0.291- 69 2.10 46 2.11 42 2.29
7 0.489 0.324 0.042- 36 2.10 35 2.12 28 2.29 37 2.61
8 0.761 0.074 0.042- 71 2.10 48 2.12 39 2.29 38 2.61
9 0.511 0.725 0.291- 70 2.10 69 2.11 65 2.29
10 0.239 0.975 0.291- 33 2.10 58 2.11 54 2.29
11 0.989 0.824 0.042- 72 2.10 71 2.12 64 2.29 49 2.61
12 0.261 0.574 0.042- 35 2.10 60 2.12 51 2.29 50 2.61
13 0.011 0.725 0.291- 58 2.10 57 2.11 53 2.29
14 0.739 0.975 0.291- 45 2.10 70 2.11 66 2.29
15 0.489 0.824 0.042- 60 2.10 59 2.12 52 2.29 61 2.61
16 0.761 0.574 0.042- 47 2.10 72 2.12 63 2.29 62 2.61
17 0.264 0.269 0.168- 26 1.79 32 1.82 30 1.83 28 1.86 27 2.43
18 0.486 0.019 0.168- 61 1.79 55 1.82 41 1.83 27 1.86 52 2.43
19 0.764 0.269 0.168- 38 1.79 44 1.82 42 1.83 40 1.86 39 2.43
20 0.986 0.019 0.168- 49 1.79 67 1.82 29 1.83 39 1.86 64 2.43
21 0.264 0.769 0.168- 50 1.79 56 1.82 54 1.83 52 1.86 51 2.43
22 0.486 0.519 0.168- 37 1.79 31 1.82 65 1.83 51 1.86 28 2.43
23 0.764 0.769 0.168- 62 1.79 68 1.82 66 1.83 64 1.86 63 2.43
24 0.986 0.519 0.168- 25 1.79 43 1.82 53 1.83 63 1.86 40 2.43
25 0.088 0.482 0.112- 24 1.79 3 2.61
26 0.162 0.232 0.112- 17 1.79 4 2.61
27 0.352 0.080 0.128- 18 1.86 4 2.29 17 2.43
28 0.398 0.330 0.128- 17 1.86 7 2.29 22 2.43
29 0.057 0.151 0.205- 20 1.83 5 2.29
30 0.193 0.401 0.205- 17 1.83 2 2.29
31 0.445 0.418 0.225- 22 1.82
32 0.305 0.168 0.225- 17 1.82
33 0.065 0.045 0.316- 10 2.10 5 2.11
34 0.185 0.295 0.316- 5 2.10 2 2.11
35 0.310 0.391 0.020- 12 2.10 7 2.12
36 0.440 0.141 0.020- 7 2.10 4 2.12
37 0.588 0.482 0.112- 22 1.79 7 2.61
38 0.662 0.232 0.112- 19 1.79 8 2.61
39 0.852 0.080 0.128- 20 1.86 8 2.29 19 2.43
40 0.898 0.330 0.128- 19 1.86 3 2.29 24 2.43
41 0.557 0.151 0.205- 18 1.83 1 2.29
42 0.693 0.401 0.205- 19 1.83 6 2.29
43 0.945 0.418 0.225- 24 1.82
44 0.805 0.168 0.225- 19 1.82
45 0.565 0.045 0.316- 14 2.10 1 2.11
46 0.685 0.295 0.316- 1 2.10 6 2.11
47 0.810 0.391 0.020- 16 2.10 3 2.12
48 0.940 0.141 0.020- 3 2.10 8 2.12
49 0.088 0.982 0.112- 20 1.79 11 2.61
50 0.162 0.732 0.112- 21 1.79 12 2.61
51 0.352 0.580 0.128- 22 1.86 12 2.29 21 2.43
52 0.398 0.830 0.128- 21 1.86 15 2.29 18 2.43
53 0.057 0.651 0.205- 24 1.83 13 2.29
54 0.193 0.901 0.205- 21 1.83 10 2.29
55 0.445 0.918 0.225- 18 1.82
56 0.305 0.668 0.225- 21 1.82
57 0.065 0.545 0.316- 2 2.10 13 2.11
58 0.185 0.795 0.316- 13 2.10 10 2.11
59 0.310 0.891 0.020- 4 2.10 15 2.12
60 0.440 0.641 0.020- 15 2.10 12 2.12
61 0.588 0.982 0.112- 18 1.79 15 2.61
62 0.662 0.732 0.112- 23 1.79 16 2.61
63 0.852 0.580 0.128- 24 1.86 16 2.29 23 2.43
64 0.898 0.830 0.128- 23 1.86 11 2.29 20 2.43
65 0.557 0.651 0.205- 22 1.83 9 2.29
66 0.693 0.901 0.205- 23 1.83 14 2.29
67 0.945 0.918 0.225- 20 1.82
68 0.805 0.668 0.225- 23 1.82
69 0.565 0.545 0.316- 6 2.10 9 2.11
70 0.685 0.795 0.316- 9 2.10 14 2.11
71 0.810 0.891 0.020- 8 2.10 11 2.12
72 0.940 0.641 0.020- 11 2.10 16 2.12
LATTYP: Found a simple orthorhombic cell.
ALAT = 10.7450000000
B/A-ratio = 1.0048580735
C/A-ratio = 2.2393113076
Lattice vectors:
A1 = ( 0.0000000000, -10.7450000000, 0.0000000000)
A2 = ( 10.7972000000, 0.0000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 24.0614000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns following result:
LATTYP: Found a simple orthorhombic cell.
ALAT = 5.3725000000
B/A-ratio = 2.0097161470
C/A-ratio = 4.4786226152
Lattice vectors:
A1 = ( 0.0000000000, -5.3725000000, 0.0000000000)
A2 = ( 10.7972000000, 0.0000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 24.0614000000)
2 primitive cells build up your supercell.
Routine SETGRP: Setting up the symmetry group for a
simple orthorhombic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 8 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns following result:
LATTYP: Found a simple orthorhombic cell.
ALAT = 5.3725000000
B/A-ratio = 2.0097161470
C/A-ratio = 4.4786226152
Lattice vectors:
A1 = ( 0.0000000000, -5.3725000000, 0.0000000000)
A2 = ( 10.7972000000, 0.0000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 24.0614000000)
2 primitive cells build up your supercell.
Routine SETGRP: Setting up the symmetry group for a
simple orthorhombic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 8 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Analysis of structural, dynamic, and magnetic symmetry:
=====================================================================
Subroutine PRICEL returns following result:
LATTYP: Found a simple orthorhombic cell.
ALAT = 5.3725000000
B/A-ratio = 2.0097161470
C/A-ratio = 4.4786226152
Lattice vectors:
A1 = ( 0.0000000000, -5.3725000000, 0.0000000000)
A2 = ( 10.7972000000, 0.0000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 24.0614000000)
2 primitive cells build up your supercell.
Routine SETGRP: Setting up the symmetry group for a
simple orthorhombic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 8 trial point group operations.
The overall configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 2 'primitive' translations
----------------------------------------------------------------------------------------
Primitive cell
volume of cell : 1395.7527
direct lattice vectors reciprocal lattice vectors
0.000000000 -5.372500000 0.000000000 0.000000000 -0.186133085 0.000000000
10.797200000 0.000000000 0.000000000 0.092616604 0.000000000 0.000000000
0.000000000 0.000000000 24.061400000 0.000000000 0.000000000 0.041560341
length of vectors
5.372500000 10.797200000 24.061400000 0.186133085 0.092616604 0.041560341
position of ions in fractional coordinates (direct lattice)
0.550079860 0.511071440 0.291483260
0.050115060 0.238924060 0.291482540
0.352494560 0.988605140 0.042428880
0.852523080 0.261368250 0.042403340
0.550126040 0.011064690 0.291467810
0.050123720 0.738936100 0.291468720
0.352533220 0.488615060 0.042409890
0.852493160 0.761390770 0.042417670
0.461557140 0.264046420 0.167969390
0.961522480 0.485953580 0.167984650
0.461780980 0.764198520 0.167963220
0.961671740 0.985818920 0.167958510
0.036494340 0.088108210 0.111718230
0.536490800 0.161880890 0.111698120
0.839322600 0.351592320 0.128313560
0.339369640 0.398358770 0.128330090
0.698906660 0.056656870 0.204815630
0.198977540 0.193359740 0.204814680
0.164742960 0.444775070 0.225470860
0.664785320 0.305247780 0.225465470
0.910700660 0.065247480 0.315878960
0.410701760 0.184760810 0.315883280
0.217095320 0.310441840 0.020278660
0.717078880 0.439551200 0.020283160
0.036502560 0.588109250 0.111699790
0.536507620 0.661873200 0.111697890
0.839249000 0.851567420 0.128324400
0.339244120 0.898375370 0.128340560
0.698948580 0.556662050 0.204806620
0.198901080 0.693350910 0.204824470
0.164706960 0.944753300 0.225452460
0.664737160 0.805258600 0.225438550
0.910718980 0.565251020 0.315880870
0.410685920 0.684764590 0.315875750
0.217100640 0.810452350 0.020274240
0.717089860 0.939548000 0.020275830
ion indices of the primitive-cell ions
primitive index ion index
1 1
2 2
3 3
4 4
5 5
6 6
7 7
8 8
9 17
10 18
11 19
12 20
13 49
14 26
15 27
16 28
17 29
18 30
19 31
20 32
21 33
22 34
23 35
24 36
25 61
26 38
27 39
28 40
29 41
30 42
31 43
32 44
33 45
34 46
35 47
36 48
----------------------------------------------------------------------------------------
KPOINTS: Automatic mesh
Automatic generation of k-mesh.
Grid dimensions read from file:
generate k-points for: 4 4 2
Generating k-lattice:
Cartesian coordinates Fractional coordinates (reciprocal lattice)
0.023154151 0.000000000 0.000000000 0.250000000 0.000000000 0.000000000
0.000000000 0.023266636 0.000000000 0.000000000 0.250000000 0.000000000
0.000000000 0.000000000 0.020780171 0.000000000 0.000000000 0.500000000
Length of vectors
0.023154151 0.023266636 0.020780171
Shift w.r.t. Gamma in fractional coordinates (k-lattice)
0.000000000 0.000000000 0.000000000
Subroutine IBZKPT returns following result:
===========================================
Found 20 irreducible k-points:
Following reciprocal coordinates:
Coordinates Weight
0.000000 0.000000 0.000000 1.000000
0.250000 0.000000 0.000000 2.000000
0.500000 0.000000 0.000000 1.000000
0.000000 0.250000 0.000000 2.000000
0.250000 0.250000 0.000000 2.000000
-0.250000 0.250000 0.000000 2.000000
0.500000 0.250000 0.000000 2.000000
0.000000 0.500000 0.000000 1.000000
0.250000 0.500000 0.000000 2.000000
0.500000 0.500000 0.000000 1.000000
0.000000 0.000000 0.500000 1.000000
0.250000 0.000000 0.500000 2.000000
0.500000 0.000000 0.500000 1.000000
0.000000 0.250000 0.500000 2.000000
0.250000 0.250000 0.500000 2.000000
-0.250000 0.250000 0.500000 2.000000
0.500000 0.250000 0.500000 2.000000
0.000000 0.500000 0.500000 1.000000
0.250000 0.500000 0.500000 2.000000
0.500000 0.500000 0.500000 1.000000
Following cartesian coordinates:
Coordinates Weight
0.000000 0.000000 0.000000 1.000000
0.023154 0.000000 0.000000 2.000000
0.046308 0.000000 0.000000 1.000000
0.000000 0.023267 0.000000 2.000000
0.023154 0.023267 0.000000 2.000000
-0.023154 0.023267 0.000000 2.000000
0.046308 0.023267 0.000000 2.000000
0.000000 0.046533 0.000000 1.000000
0.023154 0.046533 0.000000 2.000000
0.046308 0.046533 0.000000 1.000000
0.000000 0.000000 0.020780 1.000000
0.023154 0.000000 0.020780 2.000000
0.046308 0.000000 0.020780 1.000000
0.000000 0.023267 0.020780 2.000000
0.023154 0.023267 0.020780 2.000000
-0.023154 0.023267 0.020780 2.000000
0.046308 0.023267 0.020780 2.000000
0.000000 0.046533 0.020780 1.000000
0.023154 0.046533 0.020780 2.000000
0.046308 0.046533 0.020780 1.000000
--------------------------------------------------------------------------------------------------------
Dimension of arrays:
k-points NKPTS = 20 k-points in BZ NKDIM = 20 number of bands NBANDS= 480
number of dos NEDOS = 2000 number of ions NIONS = 72
non local maximal LDIM = 6 non local SUM 2l+1 LMDIM = 18
total plane-waves NPLWV = 349920
max r-space proj IRMAX = 1 max aug-charges IRDMAX= 57434
dimension x,y,z NGX = 54 NGY = 54 NGZ = 120
dimension x,y,z NGXF= 108 NGYF= 108 NGZF= 240
support grid NGXF= 216 NGYF= 216 NGZF= 480
ions per type = 16 8 48
NGX,Y,Z is equivalent to a cutoff of 8.31, 8.35, 8.29 a.u.
NGXF,Y,Z is equivalent to a cutoff of 16.63, 16.71, 16.58 a.u.
SYSTEM = Bi2WO6_1_001_HSE06
POSCAR = Bi2WO6_1_001_HSE06
Startparameter for this run:
NWRITE = 1 write-flag & timer
PREC = normal normal or accurate (medium, high low for compatibility)
ISTART = 1 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
Electronic Relaxation 1
ENCUT = 400.0 eV 29.40 Ry 5.42 a.u. 17.61 17.52 39.24*2*pi/ulx,y,z
ENINI = 400.0 initial cutoff
ENAUG = 605.4 eV augmentation charge cutoff
NELM = 60; NELMIN= 2; NELMDL= 0 # of ELM steps
EDIFF = 0.1E-07 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= 1 Vosko Wilk Nusair interpolation
ROPT = 0.00000 0.00000 0.00000
Ionic relaxation
EDIFFG = 0.1E-06 stopping-criterion for IOM
NSW = 0 number of steps for IOM
NBLOCK = 1; KBLOCK = 1 inner block; outer block
IBRION = -1 ionic relax: 0-MD 1-quasi-New 2-CG
NFREE = 0 steps in history (QN), initial steepest desc. (CG)
ISIF = 0 stress and relaxation
IWAVPR = 10 prediction: 0-non 1-charg 2-wave 3-comb
ISYM = 2 0-nonsym 1-usesym 2-fastsym
LCORR = T Harris-Foulkes like correction to forces
POTIM = 0.5000 time-step for ionic-motion
TEIN = 0.0 initial temperature
TEBEG = 0.0; TEEND = 0.0 temperature during run
SMASS = -3.00 Nose mass-parameter (am)
estimated Nose-frequenzy (Omega) = 0.10E-29 period in steps = 0.13E+47 mass= -0.266E-26a.u.
SCALEE = 1.0000 scale energy and forces
NPACO = 256; APACO = 10.0 distance and # of slots for P.C.
PSTRESS= 0.0 pullay stress
Mass of Ions in am
POMASS = 208.98183.85 16.00
Ionic Valenz
ZVAL = 15.00 14.00 6.00
Atomic Wigner-Seitz radii
RWIGS = 1.46 1.30 0.73
virtual crystal weights
VCA = 1.00 1.00 1.00
NELECT = 640.0000 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; METHOD = LEGACY
ISMEAR = 0; SIGMA = 0.05 broadening in eV -4-tet -1-fermi 0-gaus
Electronic relaxation 2 (details)
IALGO = 58 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 = 0.52E-11 absolut break condition
DEPER = 0.30 relativ break condition
TIME = 0.40 timestep for ELM
volume/ion in A,a.u. = 38.77 261.64
Fermi-wavevector in a.u.,A,eV,Ry = 1.001971 1.893451 13.659525 1.003947
Thomas-Fermi vector in A = 2.134428
Write flags
LWAVE = T write WAVECAR
LDOWNSAMPLE = F k-point downsampling of WAVECAR
LCHARG = F write CHGCAR
LVTOT = F write LOCPOT, total local potential
LVHAR = F write LOCPOT, Hartree potential only
LELF = F write electronic localiz. function (ELF)
LORBIT = 10 0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes
Dipole corrections
LMONO = F monopole corrections only (constant potential shift)
LDIPOL = F correct potential (dipole corrections)
IDIPOL = 0 1-x, 2-y, 3-z, 4-all directions
EPSILON= 1.0000000 bulk dielectric constant
Exchange correlation treatment:
GGA = -- GGA type
LEXCH = 8 internal setting for exchange type
LIBXC = F Libxc
VOSKOWN = 1 Vosko Wilk Nusair interpolation
LHFCALC = F Hartree Fock is set to
LHFONE = F Hartree Fock one center treatment
AEXX = 0.0000 exact exchange contribution
Linear response parameters
LEPSILON= F determine dielectric tensor
LRPA = F only Hartree local field effects (RPA)
LNABLA = F use nabla operator in PAW spheres
LVEL = F velocity operator in full k-point grid
CSHIFT =0.1000 complex shift for real part using Kramers Kronig
OMEGAMAX= -1.0 maximum frequency
DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
RTIME = -0.100 relaxation time in fs
(WPLASMAI= 0.000 imaginary part of plasma frequency in eV, 0.658/RTIME)
DFIELD = 0.0000000 0.0000000 0.0000000 field for delta impulse in time
Optional k-point grid parameters
LKPOINTS_OPT = F use optional k-point grid
KPOINTS_OPT_MODE= 1 mode for optional k-point grid
Orbital magnetization related:
ORBITALMAG= F switch on orbital magnetization
LCHIMAG = F perturbation theory with respect to B field
DQ = 0.001000 dq finite difference perturbation B field
LLRAUG = F two centre corrections for induced B field
LBONE = F B-component reconstruction in AE one-centre
LVGVCALC = T calculate vGv susceptibility
LVGVAPPL = F apply vGv susceptibility instead of pGv for G=0
Random number generation:
RANDOM_GENERATOR = DEFAULT
PCG_SEED = not used
--------------------------------------------------------------------------------------------------------
Static calculation
charge density and potential remain constant during run
spin polarized calculation
Conjugate gradient for all bands (Freysoldt, et al. PRB 79, 241103 (2009))
preconditioned conjugated gradient charged. constant during bandupdate
perform sub-space diagonalisation
before iterative eigenvector-optimisation
no mixing
using additional bands 160
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 = 0.05
--------------------------------------------------------------------------------------------------------
energy-cutoff : 400.00
volume of cell : 2791.51
direct lattice vectors reciprocal lattice vectors
10.797200000 0.000000000 0.000000000 0.092616604 0.000000000 0.000000000
0.000000000 10.745000000 0.000000000 0.000000000 0.093066543 0.000000000
0.000000000 0.000000000 24.061400000 0.000000000 0.000000000 0.041560341
length of vectors
10.797200000 10.745000000 24.061400000 0.092616604 0.093066543 0.041560341
old parameters found on file WAVECAR:
energy-cutoff : 400.00
volume of cell : 2791.51
direct lattice vectors reciprocal lattice vectors
10.797200000 0.000000000 0.000000000 0.092616604 0.000000000 0.000000000
0.000000000 10.745000000 0.000000000 0.000000000 0.093066543 0.000000000
0.000000000 0.000000000 24.061400000 0.000000000 0.000000000 0.041560341
length of vectors
k-points in units of 2pi/SCALE and weight: Automatic mesh
0.00000000 0.00000000 0.00000000 0.031
0.02315415 0.00000000 0.00000000 0.062
0.04630830 0.00000000 0.00000000 0.031
0.00000000 0.02326664 0.00000000 0.062
0.02315415 0.02326664 0.00000000 0.062
-0.02315415 0.02326664 0.00000000 0.062
0.04630830 0.02326664 0.00000000 0.062
0.00000000 0.04653327 0.00000000 0.031
0.02315415 0.04653327 0.00000000 0.062
0.04630830 0.04653327 0.00000000 0.031
0.00000000 0.00000000 0.02078017 0.031
0.02315415 0.00000000 0.02078017 0.062
0.04630830 0.00000000 0.02078017 0.031
0.00000000 0.02326664 0.02078017 0.062
0.02315415 0.02326664 0.02078017 0.062
-0.02315415 0.02326664 0.02078017 0.062
0.04630830 0.02326664 0.02078017 0.062
0.00000000 0.04653327 0.02078017 0.031
0.02315415 0.04653327 0.02078017 0.062
0.04630830 0.04653327 0.02078017 0.031
k-points in reciprocal lattice and weights: Automatic mesh
0.00000000 0.00000000 0.00000000 0.031
0.25000000 0.00000000 0.00000000 0.062
0.50000000 0.00000000 0.00000000 0.031
0.00000000 0.25000000 0.00000000 0.062
0.25000000 0.25000000 0.00000000 0.062
-0.25000000 0.25000000 0.00000000 0.062
0.50000000 0.25000000 0.00000000 0.062
0.00000000 0.50000000 0.00000000 0.031
0.25000000 0.50000000 0.00000000 0.062
0.50000000 0.50000000 0.00000000 0.031
0.00000000 0.00000000 0.50000000 0.031
0.25000000 0.00000000 0.50000000 0.062
0.50000000 0.00000000 0.50000000 0.031
0.00000000 0.25000000 0.50000000 0.062
0.25000000 0.25000000 0.50000000 0.062
-0.25000000 0.25000000 0.50000000 0.062
0.50000000 0.25000000 0.50000000 0.062
0.00000000 0.50000000 0.50000000 0.031
0.25000000 0.50000000 0.50000000 0.062
0.50000000 0.50000000 0.50000000 0.031
position of ions in fractional coordinates (direct lattice)
0.51107144 0.22496007 0.29148326
0.23892406 0.47494247 0.29148254
0.98860514 0.32375272 0.04242888
0.26136825 0.07373846 0.04240334
0.01106469 0.22493698 0.29146781
0.73893610 0.47493814 0.29146872
0.48861506 0.32373339 0.04240989
0.76139077 0.07375342 0.04241767
0.51107144 0.72496007 0.29148326
0.23892406 0.97494247 0.29148254
0.98860514 0.82375272 0.04242888
0.26136825 0.57373846 0.04240334
0.01106469 0.72493698 0.29146781
0.73893610 0.97493814 0.29146872
0.48861506 0.82373339 0.04240989
0.76139077 0.57375342 0.04241767
0.26404642 0.26922143 0.16796939
0.48595358 0.01923876 0.16798465
0.76419852 0.26910951 0.16796322
0.98581892 0.01916413 0.16795851
0.26404642 0.76922143 0.16796939
0.48595358 0.51923876 0.16798465
0.76419852 0.76910951 0.16796322
0.98581892 0.51916413 0.16795851
0.08810821 0.48175283 0.11171823
0.16188089 0.23175460 0.11169812
0.35159232 0.08033870 0.12831356
0.39835877 0.33031518 0.12833009
0.05665687 0.15054667 0.20481563
0.19335974 0.40051123 0.20481468
0.44477507 0.41762852 0.22547086
0.30524778 0.16760734 0.22546547
0.06524748 0.04464967 0.31587896
0.18476081 0.29464912 0.31588328
0.31044184 0.39145234 0.02027866
0.43955120 0.14146056 0.02028316
0.58810925 0.48174872 0.11169979
0.66187320 0.23174619 0.11169789
0.85156742 0.08037550 0.12832440
0.89837537 0.33037794 0.12834056
0.55666205 0.15052571 0.20480662
0.69335091 0.40054946 0.20482447
0.94475330 0.41764652 0.22545246
0.80525860 0.16763142 0.22543855
0.56525102 0.04464051 0.31588087
0.68476459 0.29465704 0.31587575
0.81045235 0.39144968 0.02027424
0.93954800 0.14145507 0.02027583
0.08810821 0.98175283 0.11171823
0.16188089 0.73175460 0.11169812
0.35159232 0.58033870 0.12831356
0.39835877 0.83031518 0.12833009
0.05665687 0.65054667 0.20481563
0.19335974 0.90051123 0.20481468
0.44477507 0.91762852 0.22547086
0.30524778 0.66760734 0.22546547
0.06524748 0.54464967 0.31587896
0.18476081 0.79464912 0.31588328
0.31044184 0.89145234 0.02027866
0.43955120 0.64146056 0.02028316
0.58810925 0.98174872 0.11169979
0.66187320 0.73174619 0.11169789
0.85156742 0.58037550 0.12832440
0.89837537 0.83037794 0.12834056
0.55666205 0.65052571 0.20480662
0.69335091 0.90054946 0.20482447
0.94475330 0.91764652 0.22545246
0.80525860 0.66763142 0.22543855
0.56525102 0.54464051 0.31588087
0.68476459 0.79465704 0.31587575
0.81045235 0.89144968 0.02027424
0.93954800 0.64145507 0.02027583
position of ions in cartesian coordinates (Angst):
5.51814055 2.41719595 7.01349531
2.57971086 5.10325684 7.01347799
10.67416742 3.47872298 1.02089825
2.82204527 0.79231975 1.02028373
0.11946767 2.41694785 7.01312356
7.97844086 5.10321031 7.01314546
5.27567453 3.47851528 1.02044133
8.22088842 0.79248050 1.02062852
5.51814055 7.78969595 7.01349531
2.57971086 10.47575684 7.01347799
10.67416742 8.85122298 1.02089825
2.82204527 6.16481975 1.02028373
0.11946767 7.78944785 7.01312356
7.97844086 10.47571031 7.01314546
5.27567453 8.85101528 1.02044133
8.22088842 6.16498050 1.02062852
2.85096201 2.89278427 4.04157868
5.24693799 0.20672048 4.04194586
8.25120426 2.89158168 4.04143022
10.64408404 0.20591858 4.04131689
2.85096201 8.26528427 4.04157868
5.24693799 5.57922048 4.04194586
8.25120426 8.26408168 4.04143022
10.64408404 5.57841858 4.04131689
0.95132197 5.17643416 2.68809702
1.74786035 2.49020318 2.68761314
3.79621260 0.86323933 3.08740389
4.30115931 3.54923661 3.08780163
0.61173556 1.61762397 4.92815080
2.08774378 4.30349317 4.92812794
4.80232539 4.48741845 5.42514455
3.29582133 1.80094087 5.42501486
0.70449009 0.47976070 7.60049001
1.99489942 3.16600479 7.60059395
3.35190263 4.20615539 0.48793295
4.74592222 1.51999372 0.48804123
6.34993319 5.17639000 2.68765333
7.14637732 2.49011281 2.68760761
9.19454375 0.86363475 3.08766472
9.69993854 3.54991097 3.08805355
6.01039149 1.61739875 4.92793401
7.48624845 4.30390395 4.92836350
10.20069033 4.48761186 5.42470182
8.69453816 1.80119961 5.42436713
6.10312831 0.47966228 7.60053597
7.39354023 3.16608989 7.60041277
8.75061611 4.20612681 0.48782660
10.14448767 1.51993473 0.48786486
0.95132197 10.54893416 2.68809702
1.74786035 7.86270318 2.68761314
3.79621260 6.23573933 3.08740389
4.30115931 8.92173661 3.08780163
0.61173556 6.99012397 4.92815080
2.08774378 9.67599317 4.92812794
4.80232539 9.85991845 5.42514455
3.29582133 7.17344087 5.42501486
0.70449009 5.85226070 7.60049001
1.99489942 8.53850479 7.60059395
3.35190263 9.57865539 0.48793295
4.74592222 6.89249372 0.48804123
6.34993319 10.54889000 2.68765333
7.14637732 7.86261281 2.68760761
9.19454375 6.23613475 3.08766472
9.69993854 8.92241097 3.08805355
6.01039149 6.98989875 4.92793401
7.48624845 9.67640395 4.92836350
10.20069033 9.86011186 5.42470182
8.69453816 7.17369961 5.42436713
6.10312831 5.85216228 7.60053597
7.39354023 8.53858989 7.60041277
8.75061611 9.57862681 0.48782660
10.14448767 6.89243473 0.48786486
--------------------------------------------------------------------------------------------------------
k-point 1 : 0.0000 0.0000 0.0000 plane waves: 50743
k-point 2 : 0.2500 0.0000 0.0000 plane waves: 50695
k-point 3 : 0.5000 0.0000 0.0000 plane waves: 50744
k-point 4 : 0.0000 0.2500 0.0000 plane waves: 50711
k-point 5 : 0.2500 0.2500 0.0000 plane waves: 50704
k-point 6 : -0.2500 0.2500 0.0000 plane waves: 50704
k-point 7 : 0.5000 0.2500 0.0000 plane waves: 50726
k-point 8 : 0.0000 0.5000 0.0000 plane waves: 50700
k-point 9 : 0.2500 0.5000 0.0000 plane waves: 50706
k-point 10 : 0.5000 0.5000 0.0000 plane waves: 50644
k-point 11 : 0.0000 0.0000 0.5000 plane waves: 50738
k-point 12 : 0.2500 0.0000 0.5000 plane waves: 50754
k-point 13 : 0.5000 0.0000 0.5000 plane waves: 50728
k-point 14 : 0.0000 0.2500 0.5000 plane waves: 50766
k-point 15 : 0.2500 0.2500 0.5000 plane waves: 50740
k-point 16 : -0.2500 0.2500 0.5000 plane waves: 50740
k-point 17 : 0.5000 0.2500 0.5000 plane waves: 50668
k-point 18 : 0.0000 0.5000 0.5000 plane waves: 50696
k-point 19 : 0.2500 0.5000 0.5000 plane waves: 50652
k-point 20 : 0.5000 0.5000 0.5000 plane waves: 50656
maximum and minimum number of plane-waves per node : 4282 4194
maximum number of plane-waves: 50766
maximum index in each direction:
IXMAX= 17 IYMAX= 17 IZMAX= 39
IXMIN= -18 IYMIN= -18 IZMIN= -39
The following grids will avoid any aliasing or wrap around errors in the Hartre
e energy
- symmetry arguments have not been applied
- exchange correlation energies might require even more grid points
- we recommend to set PREC=Normal or Accurate and rely on VASP defaults
WARNING: aliasing errors must be expected set NGX to 72 to avoid them
WARNING: aliasing errors must be expected set NGY to 72 to avoid them
WARNING: aliasing errors must be expected set NGZ to 160 to avoid them
parallel 3D FFT for wavefunctions:
minimum data exchange during FFTs selected (reduces bandwidth)
parallel 3D FFT for charge:
minimum data exchange during FFTs selected (reduces bandwidth)
total amount of memory used by VASP MPI-rank0 584166. kBytes
=======================================================================
base : 30000. kBytes
nonl-proj : 41674. kBytes
fftplans : 6528. kBytes
grid : 7193. kBytes
one-center: 186. kBytes
wavefun : 498585. kBytes
initial charge density was supplied:
number of electron 640.0000017 magnetization -0.0000000
keeping initial charge density in first step
--------------------------------------------------------------------------------------------------------
Maximum index for augmentation-charges 2107 (set IRDMAX)
--------------------------------------------------------------------------------------------------------
First call to EWALD: gamma= 0.126
Maximum number of real-space cells 3x 3x 2
Maximum number of reciprocal cells 2x 2x 4
--------------------------------------- Ionic step 1 -------------------------------------------
--------------------------------------- Iteration 1( 1) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.3164186E+03 (-0.1293237E+03)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10205.22028762
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -316.41857282 eV
energy without entropy = -316.41857282 energy(sigma->0) = -316.41857282
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 2) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.1286311E+03 (-0.3454196E+02)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10333.85139259
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -445.04967779 eV
energy without entropy = -445.04967779 energy(sigma->0) = -445.04967779
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 3) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.3452936E+02 (-0.1332331E+02)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10368.38075157
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -479.57903676 eV
energy without entropy = -479.57903676 energy(sigma->0) = -479.57903676
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 4) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.1329206E+02 (-0.8393852E+01)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10381.67281433
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -492.87109953 eV
energy without entropy = -492.87109953 energy(sigma->0) = -492.87109953
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 5) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.8383544E+01 (-0.4993395E+01)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10390.05635832
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -501.25464351 eV
energy without entropy = -501.25464351 energy(sigma->0) = -501.25464351
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 6) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.4993979E+01 (-0.2467107E+01)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10395.05033708
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -506.24862228 eV
energy without entropy = -506.24862228 energy(sigma->0) = -506.24862228
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 7) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.2468036E+01 (-0.1264471E+01)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10397.51837301
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -508.71665821 eV
energy without entropy = -508.71665821 energy(sigma->0) = -508.71665821
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 8) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.1264880E+01 (-0.5672498E+00)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10398.78325322
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -509.98153842 eV
energy without entropy = -509.98153842 energy(sigma->0) = -509.98153842
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 9) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.5672931E+00 (-0.2478561E+00)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10399.35054627
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -510.54883147 eV
energy without entropy = -510.54883147 energy(sigma->0) = -510.54883147
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 10) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.2478607E+00 (-0.9357323E-01)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10399.59840702
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -510.79669222 eV
energy without entropy = -510.79669222 energy(sigma->0) = -510.79669222
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 11) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.9357323E-01 (-0.3544743E-01)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10399.69198025
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -510.89026544 eV
energy without entropy = -510.89026544 energy(sigma->0) = -510.89026544
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 12) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.3544747E-01 (-0.1606673E-01)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10399.72742772
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -510.92571291 eV
energy without entropy = -510.92571291 energy(sigma->0) = -510.92571291
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 13) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.1606688E-01 (-0.7340260E-02)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10399.74349459
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -510.94177979 eV
energy without entropy = -510.94177979 energy(sigma->0) = -510.94177979
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 14) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.7340484E-02 (-0.3780683E-02)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10399.75083508
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -510.94912027 eV
energy without entropy = -510.94912027 energy(sigma->0) = -510.94912027
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 15) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.3780810E-02 (-0.1826668E-02)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10399.75461589
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -510.95290108 eV
energy without entropy = -510.95290108 energy(sigma->0) = -510.95290108
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 16) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.1826683E-02 (-0.6835760E-03)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10399.75644257
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -510.95472777 eV
energy without entropy = -510.95472777 energy(sigma->0) = -510.95472777
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 17) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.6835781E-03 (-0.2311525E-03)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10399.75712615
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -510.95541134 eV
energy without entropy = -510.95541134 energy(sigma->0) = -510.95541134
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 18) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.2311537E-03 (-0.7716026E-04)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10399.75735730
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -510.95564250 eV
energy without entropy = -510.95564250 energy(sigma->0) = -510.95564250
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 19) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.7716037E-04 (-0.2874720E-04)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10399.75743446
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -510.95571966 eV
energy without entropy = -510.95571966 energy(sigma->0) = -510.95571966
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 20) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.2874696E-04 (-0.1284331E-04)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10399.75746321
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -510.95574840 eV
energy without entropy = -510.95574840 energy(sigma->0) = -510.95574840
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 21) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.1284317E-04 (-0.5714645E-05)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10399.75747605
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -510.95576125 eV
energy without entropy = -510.95576125 energy(sigma->0) = -510.95576125
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 22) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.5714537E-05 (-0.2582547E-05)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10399.75748177
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -510.95576696 eV
energy without entropy = -510.95576696 energy(sigma->0) = -510.95576696
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 23) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.2582383E-05 (-0.1082576E-05)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10399.75748435
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -510.95576954 eV
energy without entropy = -510.95576954 energy(sigma->0) = -510.95576954
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 24) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.1082430E-05 (-0.4236139E-06)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10399.75748543
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -510.95577063 eV
energy without entropy = -510.95577063 energy(sigma->0) = -510.95577063
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 25) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.4234607E-06 (-0.1523895E-06)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10399.75748586
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -510.95577105 eV
energy without entropy = -510.95577105 energy(sigma->0) = -510.95577105
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 26) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.1522858E-06 (-0.5529720E-07)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10399.75748601
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -510.95577120 eV
energy without entropy = -510.95577120 energy(sigma->0) = -510.95577120
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 27) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.5510810E-07 (-0.2249542E-07)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10399.75748606
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -510.95577126 eV
energy without entropy = -510.95577126 energy(sigma->0) = -510.95577126
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 28) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.2235174E-07 (-0.1014083E-07)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10399.75748609
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -510.95577128 eV
energy without entropy = -510.95577128 energy(sigma->0) = -510.95577128
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 29) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.1001172E-07 (-0.4510236E-08)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10399.75748610
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -510.95577129 eV
energy without entropy = -510.95577129 energy(sigma->0) = -510.95577129
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 30) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 0
total energy-change (2. order) :-0.4423782E-08 (-0.1874367E-08)
number of electron 640.0000017 magnetization -0.0000000
augmentation part 640.0000017 magnetization -0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225674.38504968
-Hartree energ DENC = -286938.30671470
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2596.97921717
PAW double counting = 77901.69100891 -77354.09669388
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10399.75748610
atomic energy EATOM = 67020.37147523
---------------------------------------------------
free energy TOTEN = -510.95577129 eV
energy without entropy = -510.95577129 energy(sigma->0) = -510.95577129
--------------------------------------------------------------------------------------------------------
average scaling for gradient 0.8558
average (electrostatic) potential at core
the test charge radii are 1.0856 1.1823 0.7215
(the norm of the test charge is 1.0000)
1-111.8809 2-111.8798 3-111.8680 4-111.8647 5-111.8813
6-111.8795 7-111.8646 8-111.8672 9-111.8809 10-111.8798
11-111.8680 12-111.8647 13-111.8813 14-111.8795 15-111.8646
16-111.8672 17 -74.4227 18 -74.4238 19 -74.4285 20 -74.4290
21 -74.4227 22 -74.4238 23 -74.4285 24 -74.4290 25 -76.1784
26 -76.1744 27 -76.5638 28 -76.5666 29 -76.6054 30 -76.6063
31 -75.9270 32 -75.9247 33 -75.5063 34 -75.5063 35 -75.5377
36 -75.5373 37 -76.1732 38 -76.1742 39 -76.5786 40 -76.5798
41 -76.6097 42 -76.6011 43 -75.9353 44 -75.9374 45 -75.5049
46 -75.5064 47 -75.5399 48 -75.5398 49 -76.1784 50 -76.1744
51 -76.5638 52 -76.5666 53 -76.6054 54 -76.6063 55 -75.9270
56 -75.9247 57 -75.5063 58 -75.5063 59 -75.5377 60 -75.5373
61 -76.1732 62 -76.1742 63 -76.5786 64 -76.5798 65 -76.6097
66 -76.6011 67 -75.9353 68 -75.9374 69 -75.5049 70 -75.5064
71 -75.5399 72 -75.5398
E-fermi : -1.6650 XC(G=0): -4.5463 alpha+bet : -4.3546
Fermi energy: -1.6649919832
spin component 1
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3975 1.00000
3 -76.3971 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3923 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7505 1.00000
10 -40.7499 1.00000
11 -40.7479 1.00000
12 -40.7454 1.00000
13 -40.7407 1.00000
14 -40.7401 1.00000
15 -40.7387 1.00000
16 -40.7370 1.00000
17 -40.7291 1.00000
18 -40.7247 1.00000
19 -40.7222 1.00000
20 -40.7215 1.00000
21 -40.7190 1.00000
22 -40.7145 1.00000
23 -40.7140 1.00000
24 -40.7084 1.00000
25 -40.6672 1.00000
26 -40.6610 1.00000
27 -40.6608 1.00000
28 -40.6603 1.00000
29 -40.6557 1.00000
30 -40.6541 1.00000
31 -40.6532 1.00000
32 -40.6483 1.00000
33 -24.0268 1.00000
34 -24.0150 1.00000
35 -24.0065 1.00000
36 -24.0016 1.00000
37 -24.0011 1.00000
38 -24.0010 1.00000
39 -23.9941 1.00000
40 -23.9935 1.00000
41 -23.9931 1.00000
42 -23.9927 1.00000
43 -23.9855 1.00000
44 -23.9855 1.00000
45 -23.9853 1.00000
46 -23.9766 1.00000
47 -23.9765 1.00000
48 -23.9764 1.00000
49 -23.8852 1.00000
50 -23.8810 1.00000
51 -23.8641 1.00000
52 -23.8564 1.00000
53 -23.8135 1.00000
54 -23.8131 1.00000
55 -23.8097 1.00000
56 -23.8093 1.00000
57 -23.7996 1.00000
58 -23.7994 1.00000
59 -23.7925 1.00000
60 -23.7925 1.00000
61 -23.7904 1.00000
62 -23.7868 1.00000
63 -23.7799 1.00000
64 -23.7757 1.00000
65 -23.7755 1.00000
66 -23.7745 1.00000
67 -23.7739 1.00000
68 -23.7730 1.00000
69 -23.7727 1.00000
70 -23.7668 1.00000
71 -23.7649 1.00000
72 -23.7595 1.00000
73 -23.7548 1.00000
74 -23.7543 1.00000
75 -23.7511 1.00000
76 -23.7511 1.00000
77 -23.7417 1.00000
78 -23.7388 1.00000
79 -23.7257 1.00000
80 -23.7224 1.00000
81 -23.7203 1.00000
82 -23.7189 1.00000
83 -23.7180 1.00000
84 -23.7180 1.00000
85 -23.7178 1.00000
86 -23.7168 1.00000
87 -23.7147 1.00000
88 -23.7142 1.00000
89 -23.7137 1.00000
90 -23.7098 1.00000
91 -23.7098 1.00000
92 -23.7043 1.00000
93 -23.6844 1.00000
94 -23.6820 1.00000
95 -23.6696 1.00000
96 -23.6664 1.00000
97 -23.6384 1.00000
98 -23.6363 1.00000
99 -23.6228 1.00000
100 -23.6219 1.00000
101 -23.6071 1.00000
102 -23.6057 1.00000
103 -23.6052 1.00000
104 -23.6042 1.00000
105 -23.6040 1.00000
106 -23.6036 1.00000
107 -23.6006 1.00000
108 -23.6004 1.00000
109 -23.5868 1.00000
110 -23.5821 1.00000
111 -23.5670 1.00000
112 -23.5584 1.00000
113 -20.2979 1.00000
114 -19.9505 1.00000
115 -19.7479 1.00000
116 -19.7476 1.00000
117 -19.7187 1.00000
118 -19.6490 1.00000
119 -19.6473 1.00000
120 -19.5269 1.00000
121 -19.3182 1.00000
122 -19.3172 1.00000
123 -19.2719 1.00000
124 -19.2697 1.00000
125 -19.2539 1.00000
126 -19.2273 1.00000
127 -19.1736 1.00000
128 -19.0442 1.00000
129 -18.9065 1.00000
130 -18.8902 1.00000
131 -18.8779 1.00000
132 -18.8773 1.00000
133 -18.8696 1.00000
134 -18.7439 1.00000
135 -18.7122 1.00000
136 -18.7053 1.00000
137 -18.7048 1.00000
138 -18.6261 1.00000
139 -18.5920 1.00000
140 -18.5644 1.00000
141 -18.3932 1.00000
142 -18.3927 1.00000
143 -18.3844 1.00000
144 -18.3838 1.00000
145 -18.3230 1.00000
146 -18.2977 1.00000
147 -18.2310 1.00000
148 -18.2254 1.00000
149 -18.2032 1.00000
150 -18.2030 1.00000
151 -18.1987 1.00000
152 -18.1981 1.00000
153 -18.0939 1.00000
154 -18.0935 1.00000
155 -18.0789 1.00000
156 -18.0786 1.00000
157 -17.5663 1.00000
158 -17.5395 1.00000
159 -17.5075 1.00000
160 -17.5028 1.00000
161 -11.7988 1.00000
162 -11.7358 1.00000
163 -11.5524 1.00000
164 -11.5311 1.00000
165 -11.0048 1.00000
166 -11.0044 1.00000
167 -10.9367 1.00000
168 -10.9356 1.00000
169 -10.8515 1.00000
170 -10.8511 1.00000
171 -10.7856 1.00000
172 -10.7845 1.00000
173 -10.1291 1.00000
174 -10.0679 1.00000
175 -9.9835 1.00000
176 -9.8685 1.00000
177 -7.5265 1.00000
178 -7.3309 1.00000
179 -7.3292 1.00000
180 -7.3256 1.00000
181 -7.2771 1.00000
182 -7.2394 1.00000
183 -7.1084 1.00000
184 -7.1072 1.00000
185 -6.9300 1.00000
186 -6.9224 1.00000
187 -6.9223 1.00000
188 -6.9211 1.00000
189 -6.7782 1.00000
190 -6.7563 1.00000
191 -6.7549 1.00000
192 -6.6517 1.00000
193 -6.5562 1.00000
194 -6.5556 1.00000
195 -6.5481 1.00000
196 -6.4672 1.00000
197 -6.4335 1.00000
198 -6.3702 1.00000
199 -6.3209 1.00000
200 -6.3204 1.00000
201 -6.2952 1.00000
202 -6.2862 1.00000
203 -6.2189 1.00000
204 -6.2183 1.00000
205 -6.1317 1.00000
206 -6.1309 1.00000
207 -6.0278 1.00000
208 -6.0220 1.00000
209 -5.8507 1.00000
210 -5.8219 1.00000
211 -5.8213 1.00000
212 -5.8115 1.00000
213 -5.8084 1.00000
214 -5.8071 1.00000
215 -5.7869 1.00000
216 -5.7860 1.00000
217 -5.6430 1.00000
218 -5.6416 1.00000
219 -5.5998 1.00000
220 -5.5535 1.00000
221 -5.4379 1.00000
222 -5.3305 1.00000
223 -5.2520 1.00000
224 -5.2511 1.00000
225 -5.2286 1.00000
226 -5.2235 1.00000
227 -5.1382 1.00000
228 -5.0965 1.00000
229 -5.0191 1.00000
230 -5.0184 1.00000
231 -4.9662 1.00000
232 -4.8955 1.00000
233 -4.8694 1.00000
234 -4.8658 1.00000
235 -4.8211 1.00000
236 -4.8173 1.00000
237 -4.8166 1.00000
238 -4.7301 1.00000
239 -4.5485 1.00000
240 -4.5473 1.00000
241 -4.4903 1.00000
242 -4.4353 1.00000
243 -4.4350 1.00000
244 -4.4078 1.00000
245 -4.4071 1.00000
246 -4.3505 1.00000
247 -4.1444 1.00000
248 -4.1439 1.00000
249 -4.1390 1.00000
250 -4.1054 1.00000
251 -3.9906 1.00000
252 -3.9901 1.00000
253 -3.9492 1.00000
254 -3.9252 1.00000
255 -3.8750 1.00000
256 -3.8542 1.00000
257 -3.8539 1.00000
258 -3.8075 1.00000
259 -3.7470 1.00000
260 -3.7110 1.00000
261 -3.7010 1.00000
262 -3.7006 1.00000
263 -3.6470 1.00000
264 -3.5538 1.00000
265 -3.5535 1.00000
266 -3.5239 1.00000
267 -3.5235 1.00000
268 -3.4689 1.00000
269 -3.4546 1.00000
270 -3.4337 1.00000
271 -3.4333 1.00000
272 -3.3169 1.00000
273 -3.2710 1.00000
274 -3.2311 1.00000
275 -3.2275 1.00000
276 -3.2270 1.00000
277 -3.2044 1.00000
278 -3.2041 1.00000
279 -3.1621 1.00000
280 -3.1118 1.00000
281 -3.1102 1.00000
282 -3.1098 1.00000
283 -3.0727 1.00000
284 -3.0721 1.00000
285 -3.0588 1.00000
286 -3.0213 1.00000
287 -2.9187 1.00000
288 -2.9184 1.00000
289 -2.9018 1.00000
290 -2.8742 1.00000
291 -2.8003 1.00000
292 -2.8001 1.00000
293 -2.7680 1.00000
294 -2.7543 1.00000
295 -2.7444 1.00000
296 -2.7442 1.00000
297 -2.7299 1.00000
298 -2.7163 1.00000
299 -2.7080 1.00000
300 -2.7079 1.00000
301 -2.6847 1.00000
302 -2.6518 1.00000
303 -2.6064 1.00000
304 -2.6056 1.00000
305 -2.4980 1.00000
306 -2.4973 1.00000
307 -2.4634 1.00000
308 -2.4344 1.00000
309 -2.4130 1.00000
310 -2.4128 1.00000
311 -2.4075 1.00000
312 -2.2730 1.00000
313 -2.2564 1.00000
314 -2.2559 1.00000
315 -2.1505 1.00000
316 -2.1260 1.00000
317 -2.1086 1.00000
318 -2.1031 1.00000
319 -2.0535 1.00000
320 -1.9405 1.00000
321 0.5993 0.00000
322 0.8931 0.00000
323 0.9083 0.00000
324 0.9822 0.00000
325 0.9823 0.00000
326 1.0610 0.00000
327 1.0615 0.00000
328 1.1065 0.00000
329 1.3020 0.00000
330 1.3027 0.00000
331 1.4108 0.00000
332 1.4169 0.00000
333 1.4174 0.00000
334 1.4182 0.00000
335 1.4396 0.00000
336 1.4406 0.00000
337 1.5589 0.00000
338 1.6727 0.00000
339 1.7262 0.00000
340 1.7674 0.00000
341 1.9046 0.00000
342 1.9783 0.00000
343 1.9786 0.00000
344 1.9799 0.00000
345 1.9807 0.00000
346 2.0592 0.00000
347 2.0969 0.00000
348 2.0972 0.00000
349 2.2761 0.00000
350 2.3240 0.00000
351 2.3245 0.00000
352 2.3525 0.00000
353 2.4055 0.00000
354 2.5103 0.00000
355 2.6292 0.00000
356 2.7861 0.00000
357 2.7863 0.00000
358 2.8151 0.00000
359 2.9113 0.00000
360 2.9710 0.00000
361 2.9718 0.00000
362 3.0099 0.00000
363 3.0961 0.00000
364 3.1259 0.00000
365 3.2051 0.00000
366 3.2396 0.00000
367 3.2548 0.00000
368 3.2770 0.00000
369 3.2780 0.00000
370 3.3558 0.00000
371 3.4259 0.00000
372 3.5536 0.00000
373 3.5538 0.00000
374 3.7027 0.00000
375 3.8608 0.00000
376 3.8641 0.00000
377 3.8924 0.00000
378 3.8929 0.00000
379 4.0007 0.00000
380 4.0389 0.00000
381 4.1313 0.00000
382 4.1330 0.00000
383 4.1865 0.00000
384 4.2414 0.00000
385 4.2426 0.00000
386 4.3272 0.00000
387 4.3579 0.00000
388 4.4049 0.00000
389 4.4537 0.00000
390 4.4545 0.00000
391 4.5599 0.00000
392 4.7223 0.00000
393 4.7231 0.00000
394 4.7593 0.00000
395 4.7604 0.00000
396 4.8667 0.00000
397 4.8772 0.00000
398 4.9421 0.00000
399 4.9641 0.00000
400 4.9643 0.00000
401 4.9730 0.00000
402 5.0097 0.00000
403 5.1179 0.00000
404 5.1179 0.00000
405 5.1801 0.00000
406 5.1882 0.00000
407 5.1883 0.00000
408 5.2596 0.00000
409 5.3680 0.00000
410 5.3902 0.00000
411 5.3909 0.00000
412 5.4369 0.00000
413 5.5232 0.00000
414 5.5490 0.00000
415 5.5496 0.00000
416 5.6158 0.00000
417 5.6889 0.00000
418 5.7547 0.00000
419 5.7549 0.00000
420 5.7591 0.00000
421 5.7895 0.00000
422 5.7897 0.00000
423 5.8008 0.00000
424 5.8832 0.00000
425 6.0020 0.00000
426 6.0021 0.00000
427 6.0746 0.00000
428 6.0747 0.00000
429 6.2276 0.00000
430 6.2277 0.00000
431 6.2433 0.00000
432 6.3290 0.00000
433 6.3293 0.00000
434 6.5882 0.00000
435 6.6073 0.00000
436 6.6074 0.00000
437 6.6274 0.00000
438 6.7434 0.00000
439 6.7436 0.00000
440 6.8665 0.00000
441 6.8667 0.00000
442 7.0581 0.00000
443 7.2187 0.00000
444 7.4858 0.00000
445 7.4880 0.00000
446 7.4887 0.00000
447 7.5382 0.00000
448 7.5383 0.00000
449 7.5935 0.00000
450 7.5937 0.00000
451 7.6726 0.00000
452 7.6949 0.00000
453 7.6950 0.00000
454 7.7065 0.00000
455 7.7231 0.00000
456 7.7232 0.00000
457 7.8643 0.00000
458 7.9300 0.00000
459 8.0036 0.00000
460 8.0042 0.00000
461 8.1023 0.00000
462 8.1904 0.00000
463 8.3297 0.00000
464 8.3728 0.00000
465 8.4468 0.00000
466 8.4779 0.00000
467 8.4780 0.00000
468 8.5946 0.00000
469 8.5947 0.00000
470 8.6544 0.00000
471 8.6711 0.00000
472 8.6978 0.00000
473 8.7068 0.00000
474 8.7069 0.00000
475 8.7500 0.00000
476 8.8723 0.00000
477 8.8907 0.00000
478 8.8909 0.00000
479 8.9174 0.00000
480 9.0218 0.00000
k-point 2 : 0.2500 0.0000 0.0000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3975 1.00000
3 -76.3971 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3923 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7497 1.00000
10 -40.7490 1.00000
11 -40.7471 1.00000
12 -40.7449 1.00000
13 -40.7421 1.00000
14 -40.7415 1.00000
15 -40.7395 1.00000
16 -40.7385 1.00000
17 -40.7286 1.00000
18 -40.7248 1.00000
19 -40.7212 1.00000
20 -40.7205 1.00000
21 -40.7174 1.00000
22 -40.7149 1.00000
23 -40.7145 1.00000
24 -40.7092 1.00000
25 -40.6672 1.00000
26 -40.6609 1.00000
27 -40.6607 1.00000
28 -40.6603 1.00000
29 -40.6556 1.00000
30 -40.6542 1.00000
31 -40.6533 1.00000
32 -40.6485 1.00000
33 -24.0240 1.00000
34 -24.0120 1.00000
35 -24.0096 1.00000
36 -24.0006 1.00000
37 -24.0000 1.00000
38 -23.9998 1.00000
39 -23.9963 1.00000
40 -23.9953 1.00000
41 -23.9946 1.00000
42 -23.9942 1.00000
43 -23.9845 1.00000
44 -23.9844 1.00000
45 -23.9842 1.00000
46 -23.9777 1.00000
47 -23.9777 1.00000
48 -23.9775 1.00000
49 -23.8845 1.00000
50 -23.8815 1.00000
51 -23.8632 1.00000
52 -23.8572 1.00000
53 -23.8129 1.00000
54 -23.8125 1.00000
55 -23.8101 1.00000
56 -23.8097 1.00000
57 -23.7986 1.00000
58 -23.7985 1.00000
59 -23.7932 1.00000
60 -23.7932 1.00000
61 -23.7900 1.00000
62 -23.7875 1.00000
63 -23.7790 1.00000
64 -23.7760 1.00000
65 -23.7755 1.00000
66 -23.7744 1.00000
67 -23.7743 1.00000
68 -23.7733 1.00000
69 -23.7721 1.00000
70 -23.7677 1.00000
71 -23.7639 1.00000
72 -23.7599 1.00000
73 -23.7548 1.00000
74 -23.7543 1.00000
75 -23.7513 1.00000
76 -23.7513 1.00000
77 -23.7414 1.00000
78 -23.7394 1.00000
79 -23.7253 1.00000
80 -23.7215 1.00000
81 -23.7201 1.00000
82 -23.7199 1.00000
83 -23.7186 1.00000
84 -23.7184 1.00000
85 -23.7183 1.00000
86 -23.7171 1.00000
87 -23.7143 1.00000
88 -23.7138 1.00000
89 -23.7111 1.00000
90 -23.7102 1.00000
91 -23.7101 1.00000
92 -23.7050 1.00000
93 -23.6821 1.00000
94 -23.6796 1.00000
95 -23.6716 1.00000
96 -23.6684 1.00000
97 -23.6367 1.00000
98 -23.6348 1.00000
99 -23.6256 1.00000
100 -23.6252 1.00000
101 -23.6069 1.00000
102 -23.6055 1.00000
103 -23.6054 1.00000
104 -23.6042 1.00000
105 -23.6041 1.00000
106 -23.6034 1.00000
107 -23.6007 1.00000
108 -23.6005 1.00000
109 -23.5831 1.00000
110 -23.5778 1.00000
111 -23.5694 1.00000
112 -23.5612 1.00000
113 -20.2652 1.00000
114 -20.0413 1.00000
115 -19.7344 1.00000
116 -19.7339 1.00000
117 -19.6644 1.00000
118 -19.6628 1.00000
119 -19.6430 1.00000
120 -19.5320 1.00000
121 -19.3139 1.00000
122 -19.3128 1.00000
123 -19.2823 1.00000
124 -19.2804 1.00000
125 -19.2533 1.00000
126 -19.2414 1.00000
127 -19.1461 1.00000
128 -19.0619 1.00000
129 -18.9047 1.00000
130 -18.8868 1.00000
131 -18.8642 1.00000
132 -18.8482 1.00000
133 -18.8476 1.00000
134 -18.7920 1.00000
135 -18.7274 1.00000
136 -18.7269 1.00000
137 -18.6831 1.00000
138 -18.6338 1.00000
139 -18.5856 1.00000
140 -18.5654 1.00000
141 -18.3919 1.00000
142 -18.3915 1.00000
143 -18.3847 1.00000
144 -18.3841 1.00000
145 -18.3167 1.00000
146 -18.2986 1.00000
147 -18.2318 1.00000
148 -18.2278 1.00000
149 -18.2029 1.00000
150 -18.2027 1.00000
151 -18.1993 1.00000
152 -18.1987 1.00000
153 -18.0916 1.00000
154 -18.0914 1.00000
155 -18.0809 1.00000
156 -18.0806 1.00000
157 -17.5620 1.00000
158 -17.5428 1.00000
159 -17.5068 1.00000
160 -17.5035 1.00000
161 -11.7647 1.00000
162 -11.7102 1.00000
163 -11.5858 1.00000
164 -11.5712 1.00000
165 -10.9832 1.00000
166 -10.9828 1.00000
167 -10.9154 1.00000
168 -10.9143 1.00000
169 -10.8747 1.00000
170 -10.8743 1.00000
171 -10.8085 1.00000
172 -10.8074 1.00000
173 -10.1119 1.00000
174 -10.0709 1.00000
175 -9.9670 1.00000
176 -9.8848 1.00000
177 -7.4912 1.00000
178 -7.3188 1.00000
179 -7.3118 1.00000
180 -7.2931 1.00000
181 -7.2914 1.00000
182 -7.1085 1.00000
183 -7.0721 1.00000
184 -7.0709 1.00000
185 -7.0520 1.00000
186 -7.0336 1.00000
187 -7.0321 1.00000
188 -6.9184 1.00000
189 -6.8239 1.00000
190 -6.8227 1.00000
191 -6.8209 1.00000
192 -6.6160 1.00000
193 -6.5213 1.00000
194 -6.4983 1.00000
195 -6.4483 1.00000
196 -6.4477 1.00000
197 -6.4473 1.00000
198 -6.3625 1.00000
199 -6.3219 1.00000
200 -6.2842 1.00000
201 -6.2837 1.00000
202 -6.2223 1.00000
203 -6.1734 1.00000
204 -6.1725 1.00000
205 -6.0855 1.00000
206 -6.0849 1.00000
207 -6.0638 1.00000
208 -6.0085 1.00000
209 -5.9277 1.00000
210 -5.9273 1.00000
211 -5.8875 1.00000
212 -5.8335 1.00000
213 -5.7930 1.00000
214 -5.7828 1.00000
215 -5.7323 1.00000
216 -5.7314 1.00000
217 -5.6808 1.00000
218 -5.6627 1.00000
219 -5.6617 1.00000
220 -5.5652 1.00000
221 -5.5242 1.00000
222 -5.4296 1.00000
223 -5.4008 1.00000
224 -5.3999 1.00000
225 -5.2528 1.00000
226 -5.1584 1.00000
227 -5.1063 1.00000
228 -5.0190 1.00000
229 -4.9876 1.00000
230 -4.9869 1.00000
231 -4.9509 1.00000
232 -4.9365 1.00000
233 -4.8989 1.00000
234 -4.8371 1.00000
235 -4.8367 1.00000
236 -4.8255 1.00000
237 -4.6545 1.00000
238 -4.6186 1.00000
239 -4.5717 1.00000
240 -4.5708 1.00000
241 -4.4277 1.00000
242 -4.4270 1.00000
243 -4.4145 1.00000
244 -4.3342 1.00000
245 -4.3303 1.00000
246 -4.3299 1.00000
247 -4.2242 1.00000
248 -4.1723 1.00000
249 -4.0670 1.00000
250 -4.0666 1.00000
251 -4.0454 1.00000
252 -4.0063 1.00000
253 -4.0057 1.00000
254 -3.8935 1.00000
255 -3.8735 1.00000
256 -3.8403 1.00000
257 -3.8402 1.00000
258 -3.7720 1.00000
259 -3.7700 1.00000
260 -3.6897 1.00000
261 -3.6891 1.00000
262 -3.6582 1.00000
263 -3.6318 1.00000
264 -3.5247 1.00000
265 -3.5245 1.00000
266 -3.5081 1.00000
267 -3.5078 1.00000
268 -3.4882 1.00000
269 -3.4669 1.00000
270 -3.4665 1.00000
271 -3.4235 1.00000
272 -3.3370 1.00000
273 -3.2785 1.00000
274 -3.2626 1.00000
275 -3.2354 1.00000
276 -3.2348 1.00000
277 -3.2138 1.00000
278 -3.2136 1.00000
279 -3.1694 1.00000
280 -3.0966 1.00000
281 -3.0961 1.00000
282 -3.0877 1.00000
283 -3.0871 1.00000
284 -3.0690 1.00000
285 -3.0327 1.00000
286 -2.9506 1.00000
287 -2.9294 1.00000
288 -2.9201 1.00000
289 -2.9199 1.00000
290 -2.8621 1.00000
291 -2.8027 1.00000
292 -2.8025 1.00000
293 -2.7951 1.00000
294 -2.7682 1.00000
295 -2.7457 1.00000
296 -2.7456 1.00000
297 -2.7412 1.00000
298 -2.7410 1.00000
299 -2.7395 1.00000
300 -2.7294 1.00000
301 -2.6993 1.00000
302 -2.6675 1.00000
303 -2.6218 1.00000
304 -2.6212 1.00000
305 -2.5306 1.00000
306 -2.5300 1.00000
307 -2.4780 1.00000
308 -2.4431 1.00000
309 -2.4334 1.00000
310 -2.3844 1.00000
311 -2.3843 1.00000
312 -2.2964 1.00000
313 -2.2841 1.00000
314 -2.2836 1.00000
315 -2.2035 1.00000
316 -2.1647 1.00000
317 -2.1554 1.00000
318 -2.0403 1.00000
319 -2.0306 1.00000
320 -1.9191 1.00000
321 0.6751 0.00000
322 0.9050 0.00000
323 0.9597 0.00000
324 1.0076 0.00000
325 1.0077 0.00000
326 1.1047 0.00000
327 1.1077 0.00000
328 1.1081 0.00000
329 1.2882 0.00000
330 1.2891 0.00000
331 1.3466 0.00000
332 1.3829 0.00000
333 1.4173 0.00000
334 1.4182 0.00000
335 1.4734 0.00000
336 1.4737 0.00000
337 1.5689 0.00000
338 1.6403 0.00000
339 1.7383 0.00000
340 1.8323 0.00000
341 1.8544 0.00000
342 1.9226 0.00000
343 1.9230 0.00000
344 2.0338 0.00000
345 2.0339 0.00000
346 2.0490 0.00000
347 2.0496 0.00000
348 2.1046 0.00000
349 2.2427 0.00000
350 2.2461 0.00000
351 2.3442 0.00000
352 2.3447 0.00000
353 2.3966 0.00000
354 2.4916 0.00000
355 2.5488 0.00000
356 2.6532 0.00000
357 2.7306 0.00000
358 2.8319 0.00000
359 2.8324 0.00000
360 2.8768 0.00000
361 2.8770 0.00000
362 2.9916 0.00000
363 3.1168 0.00000
364 3.1181 0.00000
365 3.1822 0.00000
366 3.1828 0.00000
367 3.3818 0.00000
368 3.4510 0.00000
369 3.4537 0.00000
370 3.5150 0.00000
371 3.5565 0.00000
372 3.6075 0.00000
373 3.6081 0.00000
374 3.6785 0.00000
375 3.7958 0.00000
376 3.7965 0.00000
377 3.8797 0.00000
378 3.9297 0.00000
379 3.9858 0.00000
380 4.0744 0.00000
381 4.2104 0.00000
382 4.2168 0.00000
383 4.2181 0.00000
384 4.2513 0.00000
385 4.2835 0.00000
386 4.2850 0.00000
387 4.3112 0.00000
388 4.4386 0.00000
389 4.4800 0.00000
390 4.5898 0.00000
391 4.5901 0.00000
392 4.6105 0.00000
393 4.7049 0.00000
394 4.7690 0.00000
395 4.7697 0.00000
396 4.7905 0.00000
397 4.8145 0.00000
398 4.8643 0.00000
399 4.9463 0.00000
400 5.0258 0.00000
401 5.0339 0.00000
402 5.0341 0.00000
403 5.0406 0.00000
404 5.0408 0.00000
405 5.1717 0.00000
406 5.2717 0.00000
407 5.2718 0.00000
408 5.2730 0.00000
409 5.3570 0.00000
410 5.3574 0.00000
411 5.4277 0.00000
412 5.4383 0.00000
413 5.4519 0.00000
414 5.4525 0.00000
415 5.5189 0.00000
416 5.5279 0.00000
417 5.5281 0.00000
418 5.6112 0.00000
419 5.7303 0.00000
420 5.7304 0.00000
421 5.8003 0.00000
422 5.8580 0.00000
423 5.8582 0.00000
424 5.8692 0.00000
425 5.8693 0.00000
426 5.8696 0.00000
427 6.0653 0.00000
428 6.1141 0.00000
429 6.1646 0.00000
430 6.3147 0.00000
431 6.3148 0.00000
432 6.3501 0.00000
433 6.6692 0.00000
434 6.6693 0.00000
435 6.6972 0.00000
436 6.6974 0.00000
437 6.7832 0.00000
438 6.7833 0.00000
439 6.8316 0.00000
440 7.0765 0.00000
441 7.1070 0.00000
442 7.1655 0.00000
443 7.1966 0.00000
444 7.1967 0.00000
445 7.2376 0.00000
446 7.4099 0.00000
447 7.4101 0.00000
448 7.4559 0.00000
449 7.4565 0.00000
450 7.4707 0.00000
451 7.6197 0.00000
452 7.7344 0.00000
453 7.7344 0.00000
454 7.7860 0.00000
455 7.8616 0.00000
456 7.9089 0.00000
457 7.9112 0.00000
458 7.9117 0.00000
459 8.1051 0.00000
460 8.1069 0.00000
461 8.1440 0.00000
462 8.1440 0.00000
463 8.1623 0.00000
464 8.1627 0.00000
465 8.1902 0.00000
466 8.4114 0.00000
467 8.4115 0.00000
468 8.4909 0.00000
469 8.5027 0.00000
470 8.5029 0.00000
471 8.5244 0.00000
472 8.5344 0.00000
473 8.6634 0.00000
474 8.6924 0.00000
475 8.8504 0.00000
476 8.9039 0.00000
477 9.0026 0.00000
478 9.1077 0.00000
479 9.1078 0.00000
480 9.1198 0.00000
k-point 3 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3975 1.00000
3 -76.3971 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3923 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7485 1.00000
10 -40.7478 1.00000
11 -40.7460 1.00000
12 -40.7443 1.00000
13 -40.7438 1.00000
14 -40.7432 1.00000
15 -40.7406 1.00000
16 -40.7401 1.00000
17 -40.7282 1.00000
18 -40.7249 1.00000
19 -40.7202 1.00000
20 -40.7194 1.00000
21 -40.7156 1.00000
22 -40.7155 1.00000
23 -40.7151 1.00000
24 -40.7104 1.00000
25 -40.6672 1.00000
26 -40.6608 1.00000
27 -40.6606 1.00000
28 -40.6603 1.00000
29 -40.6554 1.00000
30 -40.6543 1.00000
31 -40.6534 1.00000
32 -40.6486 1.00000
33 -24.0172 1.00000
34 -24.0167 1.00000
35 -24.0056 1.00000
36 -24.0030 1.00000
37 -23.9981 1.00000
38 -23.9978 1.00000
39 -23.9977 1.00000
40 -23.9973 1.00000
41 -23.9970 1.00000
42 -23.9968 1.00000
43 -23.9829 1.00000
44 -23.9827 1.00000
45 -23.9824 1.00000
46 -23.9795 1.00000
47 -23.9795 1.00000
48 -23.9794 1.00000
49 -23.8832 1.00000
50 -23.8827 1.00000
51 -23.8619 1.00000
52 -23.8584 1.00000
53 -23.8117 1.00000
54 -23.8112 1.00000
55 -23.8111 1.00000
56 -23.8108 1.00000
57 -23.7974 1.00000
58 -23.7971 1.00000
59 -23.7943 1.00000
60 -23.7942 1.00000
61 -23.7891 1.00000
62 -23.7888 1.00000
63 -23.7775 1.00000
64 -23.7772 1.00000
65 -23.7752 1.00000
66 -23.7748 1.00000
67 -23.7741 1.00000
68 -23.7737 1.00000
69 -23.7712 1.00000
70 -23.7689 1.00000
71 -23.7627 1.00000
72 -23.7606 1.00000
73 -23.7549 1.00000
74 -23.7543 1.00000
75 -23.7515 1.00000
76 -23.7515 1.00000
77 -23.7407 1.00000
78 -23.7403 1.00000
79 -23.7246 1.00000
80 -23.7220 1.00000
81 -23.7199 1.00000
82 -23.7195 1.00000
83 -23.7193 1.00000
84 -23.7190 1.00000
85 -23.7181 1.00000
86 -23.7176 1.00000
87 -23.7139 1.00000
88 -23.7132 1.00000
89 -23.7106 1.00000
90 -23.7105 1.00000
91 -23.7088 1.00000
92 -23.7062 1.00000
93 -23.6770 1.00000
94 -23.6766 1.00000
95 -23.6752 1.00000
96 -23.6725 1.00000
97 -23.6330 1.00000
98 -23.6310 1.00000
99 -23.6306 1.00000
100 -23.6303 1.00000
101 -23.6065 1.00000
102 -23.6058 1.00000
103 -23.6049 1.00000
104 -23.6048 1.00000
105 -23.6039 1.00000
106 -23.6033 1.00000
107 -23.6009 1.00000
108 -23.6007 1.00000
109 -23.5759 1.00000
110 -23.5756 1.00000
111 -23.5702 1.00000
112 -23.5675 1.00000
113 -20.1766 1.00000
114 -20.1689 1.00000
115 -19.7043 1.00000
116 -19.7040 1.00000
117 -19.6963 1.00000
118 -19.6952 1.00000
119 -19.5640 1.00000
120 -19.5595 1.00000
121 -19.3032 1.00000
122 -19.3024 1.00000
123 -19.2984 1.00000
124 -19.2975 1.00000
125 -19.2543 1.00000
126 -19.2478 1.00000
127 -19.1043 1.00000
128 -19.0999 1.00000
129 -18.8919 1.00000
130 -18.8874 1.00000
131 -18.8478 1.00000
132 -18.8456 1.00000
133 -18.7872 1.00000
134 -18.7855 1.00000
135 -18.7820 1.00000
136 -18.7812 1.00000
137 -18.6563 1.00000
138 -18.6526 1.00000
139 -18.5731 1.00000
140 -18.5729 1.00000
141 -18.3908 1.00000
142 -18.3904 1.00000
143 -18.3851 1.00000
144 -18.3846 1.00000
145 -18.3056 1.00000
146 -18.3044 1.00000
147 -18.2329 1.00000
148 -18.2306 1.00000
149 -18.2022 1.00000
150 -18.2022 1.00000
151 -18.2003 1.00000
152 -18.1995 1.00000
153 -18.0880 1.00000
154 -18.0878 1.00000
155 -18.0847 1.00000
156 -18.0841 1.00000
157 -17.5531 1.00000
158 -17.5508 1.00000
159 -17.5054 1.00000
160 -17.5048 1.00000
161 -11.6776 1.00000
162 -11.6771 1.00000
163 -11.6471 1.00000
164 -11.6438 1.00000
165 -10.9318 1.00000
166 -10.9309 1.00000
167 -10.9279 1.00000
168 -10.9278 1.00000
169 -10.8634 1.00000
170 -10.8623 1.00000
171 -10.8618 1.00000
172 -10.8614 1.00000
173 -10.0870 1.00000
174 -10.0820 1.00000
175 -9.9260 1.00000
176 -9.9253 1.00000
177 -7.4057 1.00000
178 -7.3973 1.00000
179 -7.2201 1.00000
180 -7.2194 1.00000
181 -7.1898 1.00000
182 -7.1878 1.00000
183 -7.1830 1.00000
184 -7.1816 1.00000
185 -6.9704 1.00000
186 -6.9696 1.00000
187 -6.9651 1.00000
188 -6.9637 1.00000
189 -6.9206 1.00000
190 -6.9170 1.00000
191 -6.7896 1.00000
192 -6.7894 1.00000
193 -6.5298 1.00000
194 -6.5270 1.00000
195 -6.4453 1.00000
196 -6.4418 1.00000
197 -6.2849 1.00000
198 -6.2837 1.00000
199 -6.2774 1.00000
200 -6.2764 1.00000
201 -6.1793 1.00000
202 -6.1763 1.00000
203 -6.1275 1.00000
204 -6.1269 1.00000
205 -6.1255 1.00000
206 -6.1247 1.00000
207 -6.0196 1.00000
208 -6.0156 1.00000
209 -5.9228 1.00000
210 -5.9211 1.00000
211 -5.8486 1.00000
212 -5.8483 1.00000
213 -5.8456 1.00000
214 -5.8448 1.00000
215 -5.7695 1.00000
216 -5.7668 1.00000
217 -5.6701 1.00000
218 -5.6678 1.00000
219 -5.5984 1.00000
220 -5.5976 1.00000
221 -5.5971 1.00000
222 -5.5964 1.00000
223 -5.5494 1.00000
224 -5.5487 1.00000
225 -5.1348 1.00000
226 -5.1339 1.00000
227 -5.0720 1.00000
228 -5.0704 1.00000
229 -5.0424 1.00000
230 -5.0415 1.00000
231 -4.9136 1.00000
232 -4.9131 1.00000
233 -4.9087 1.00000
234 -4.9082 1.00000
235 -4.7498 1.00000
236 -4.7489 1.00000
237 -4.4963 1.00000
238 -4.4954 1.00000
239 -4.4947 1.00000
240 -4.4939 1.00000
241 -4.4789 1.00000
242 -4.4771 1.00000
243 -4.3966 1.00000
244 -4.3927 1.00000
245 -4.2099 1.00000
246 -4.2097 1.00000
247 -4.2089 1.00000
248 -4.2082 1.00000
249 -4.2058 1.00000
250 -4.2055 1.00000
251 -4.0655 1.00000
252 -4.0633 1.00000
253 -3.8422 1.00000
254 -3.8418 1.00000
255 -3.8403 1.00000
256 -3.8402 1.00000
257 -3.7906 1.00000
258 -3.7873 1.00000
259 -3.7409 1.00000
260 -3.7398 1.00000
261 -3.6210 1.00000
262 -3.6208 1.00000
263 -3.6195 1.00000
264 -3.6189 1.00000
265 -3.5473 1.00000
266 -3.5460 1.00000
267 -3.4718 1.00000
268 -3.4715 1.00000
269 -3.4703 1.00000
270 -3.4700 1.00000
271 -3.3515 1.00000
272 -3.3488 1.00000
273 -3.3107 1.00000
274 -3.3077 1.00000
275 -3.2353 1.00000
276 -3.2353 1.00000
277 -3.2329 1.00000
278 -3.2326 1.00000
279 -3.1017 1.00000
280 -3.1012 1.00000
281 -3.0994 1.00000
282 -3.0988 1.00000
283 -3.0885 1.00000
284 -3.0814 1.00000
285 -2.9290 1.00000
286 -2.9272 1.00000
287 -2.8927 1.00000
288 -2.8922 1.00000
289 -2.8598 1.00000
290 -2.8596 1.00000
291 -2.8591 1.00000
292 -2.8589 1.00000
293 -2.8161 1.00000
294 -2.8156 1.00000
295 -2.7716 1.00000
296 -2.7711 1.00000
297 -2.7664 1.00000
298 -2.7656 1.00000
299 -2.7650 1.00000
300 -2.7642 1.00000
301 -2.6923 1.00000
302 -2.6894 1.00000
303 -2.5954 1.00000
304 -2.5951 1.00000
305 -2.5934 1.00000
306 -2.5928 1.00000
307 -2.4707 1.00000
308 -2.4682 1.00000
309 -2.4385 1.00000
310 -2.4382 1.00000
311 -2.3387 1.00000
312 -2.3380 1.00000
313 -2.3331 1.00000
314 -2.3320 1.00000
315 -2.1872 1.00000
316 -2.1865 1.00000
317 -2.0612 1.00000
318 -2.0607 1.00000
319 -1.9809 1.00000
320 -1.9805 1.00000
321 0.8253 0.00000
322 0.8272 0.00000
323 1.0788 0.00000
324 1.0792 0.00000
325 1.0831 0.00000
326 1.0835 0.00000
327 1.0879 0.00000
328 1.0937 0.00000
329 1.2915 0.00000
330 1.2928 0.00000
331 1.3326 0.00000
332 1.3327 0.00000
333 1.3344 0.00000
334 1.3345 0.00000
335 1.5687 0.00000
336 1.5702 0.00000
337 1.7056 0.00000
338 1.7059 0.00000
339 1.7066 0.00000
340 1.7068 0.00000
341 1.8141 0.00000
342 1.8150 0.00000
343 1.9873 0.00000
344 1.9899 0.00000
345 2.0327 0.00000
346 2.0332 0.00000
347 2.0354 0.00000
348 2.0359 0.00000
349 2.1950 0.00000
350 2.1953 0.00000
351 2.3504 0.00000
352 2.3520 0.00000
353 2.5455 0.00000
354 2.5458 0.00000
355 2.5471 0.00000
356 2.5473 0.00000
357 2.6269 0.00000
358 2.6271 0.00000
359 2.7938 0.00000
360 2.7943 0.00000
361 3.0431 0.00000
362 3.0434 0.00000
363 3.0444 0.00000
364 3.0447 0.00000
365 3.1192 0.00000
366 3.1214 0.00000
367 3.4187 0.00000
368 3.4192 0.00000
369 3.6733 0.00000
370 3.6735 0.00000
371 3.6753 0.00000
372 3.6762 0.00000
373 3.6841 0.00000
374 3.6846 0.00000
375 3.8084 0.00000
376 3.8105 0.00000
377 3.9570 0.00000
378 3.9578 0.00000
379 4.0031 0.00000
380 4.0039 0.00000
381 4.1560 0.00000
382 4.1563 0.00000
383 4.3032 0.00000
384 4.3033 0.00000
385 4.3044 0.00000
386 4.3050 0.00000
387 4.3656 0.00000
388 4.3663 0.00000
389 4.5043 0.00000
390 4.5064 0.00000
391 4.7001 0.00000
392 4.7005 0.00000
393 4.7765 0.00000
394 4.7769 0.00000
395 4.8301 0.00000
396 4.8304 0.00000
397 4.8314 0.00000
398 4.8316 0.00000
399 5.0008 0.00000
400 5.0026 0.00000
401 5.0073 0.00000
402 5.0076 0.00000
403 5.0083 0.00000
404 5.0087 0.00000
405 5.0778 0.00000
406 5.0800 0.00000
407 5.2254 0.00000
408 5.2255 0.00000
409 5.2260 0.00000
410 5.2262 0.00000
411 5.3438 0.00000
412 5.3447 0.00000
413 5.4776 0.00000
414 5.4780 0.00000
415 5.4787 0.00000
416 5.4788 0.00000
417 5.6289 0.00000
418 5.6291 0.00000
419 5.6305 0.00000
420 5.6309 0.00000
421 5.7373 0.00000
422 5.7374 0.00000
423 5.9832 0.00000
424 5.9876 0.00000
425 6.0395 0.00000
426 6.0396 0.00000
427 6.0401 0.00000
428 6.0402 0.00000
429 6.3269 0.00000
430 6.3275 0.00000
431 6.3936 0.00000
432 6.3937 0.00000
433 6.5497 0.00000
434 6.5506 0.00000
435 6.8393 0.00000
436 6.8394 0.00000
437 6.8394 0.00000
438 6.8395 0.00000
439 7.0349 0.00000
440 7.0351 0.00000
441 7.2401 0.00000
442 7.2415 0.00000
443 7.2460 0.00000
444 7.2465 0.00000
445 7.2483 0.00000
446 7.2494 0.00000
447 7.4397 0.00000
448 7.4406 0.00000
449 7.4406 0.00000
450 7.4572 0.00000
451 7.6320 0.00000
452 7.6344 0.00000
453 7.8478 0.00000
454 7.8558 0.00000
455 7.8682 0.00000
456 7.9226 0.00000
457 7.9451 0.00000
458 7.9902 0.00000
459 8.0298 0.00000
460 8.0494 0.00000
461 8.2162 0.00000
462 8.2288 0.00000
463 8.3016 0.00000
464 8.3440 0.00000
465 8.3580 0.00000
466 8.3710 0.00000
467 8.3795 0.00000
468 8.5353 0.00000
469 8.7768 0.00000
470 8.8176 0.00000
471 8.8967 0.00000
472 8.9222 0.00000
473 9.1022 0.00000
474 9.1525 0.00000
475 9.2750 0.00000
476 9.4144 0.00000
477 9.4501 0.00000
478 9.5870 0.00000
479 9.6181 0.00000
480 10.1692 0.00000
k-point 4 : 0.0000 0.2500 0.0000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3977 1.00000
3 -76.3970 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3924 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7495 1.00000
10 -40.7488 1.00000
11 -40.7474 1.00000
12 -40.7452 1.00000
13 -40.7414 1.00000
14 -40.7408 1.00000
15 -40.7403 1.00000
16 -40.7395 1.00000
17 -40.7272 1.00000
18 -40.7245 1.00000
19 -40.7237 1.00000
20 -40.7185 1.00000
21 -40.7179 1.00000
22 -40.7168 1.00000
23 -40.7128 1.00000
24 -40.7093 1.00000
25 -40.6666 1.00000
26 -40.6632 1.00000
27 -40.6597 1.00000
28 -40.6586 1.00000
29 -40.6560 1.00000
30 -40.6560 1.00000
31 -40.6516 1.00000
32 -40.6488 1.00000
33 -24.0220 1.00000
34 -24.0097 1.00000
35 -24.0062 1.00000
36 -24.0037 1.00000
37 -23.9998 1.00000
38 -23.9993 1.00000
39 -23.9985 1.00000
40 -23.9940 1.00000
41 -23.9938 1.00000
42 -23.9921 1.00000
43 -23.9884 1.00000
44 -23.9843 1.00000
45 -23.9829 1.00000
46 -23.9826 1.00000
47 -23.9772 1.00000
48 -23.9764 1.00000
49 -23.8789 1.00000
50 -23.8777 1.00000
51 -23.8586 1.00000
52 -23.8538 1.00000
53 -23.8440 1.00000
54 -23.8354 1.00000
55 -23.8272 1.00000
56 -23.8168 1.00000
57 -23.7937 1.00000
58 -23.7902 1.00000
59 -23.7897 1.00000
60 -23.7865 1.00000
61 -23.7830 1.00000
62 -23.7820 1.00000
63 -23.7815 1.00000
64 -23.7792 1.00000
65 -23.7768 1.00000
66 -23.7754 1.00000
67 -23.7717 1.00000
68 -23.7682 1.00000
69 -23.7649 1.00000
70 -23.7640 1.00000
71 -23.7608 1.00000
72 -23.7608 1.00000
73 -23.7587 1.00000
74 -23.7568 1.00000
75 -23.7422 1.00000
76 -23.7394 1.00000
77 -23.7345 1.00000
78 -23.7311 1.00000
79 -23.7252 1.00000
80 -23.7220 1.00000
81 -23.7197 1.00000
82 -23.7193 1.00000
83 -23.7182 1.00000
84 -23.7173 1.00000
85 -23.7163 1.00000
86 -23.7146 1.00000
87 -23.7132 1.00000
88 -23.7128 1.00000
89 -23.7120 1.00000
90 -23.7098 1.00000
91 -23.7090 1.00000
92 -23.7049 1.00000
93 -23.6896 1.00000
94 -23.6880 1.00000
95 -23.6773 1.00000
96 -23.6745 1.00000
97 -23.6359 1.00000
98 -23.6342 1.00000
99 -23.6213 1.00000
100 -23.6202 1.00000
101 -23.6186 1.00000
102 -23.6175 1.00000
103 -23.6113 1.00000
104 -23.6086 1.00000
105 -23.5980 1.00000
106 -23.5943 1.00000
107 -23.5931 1.00000
108 -23.5883 1.00000
109 -23.5875 1.00000
110 -23.5837 1.00000
111 -23.5708 1.00000
112 -23.5625 1.00000
113 -20.2586 1.00000
114 -19.9678 1.00000
115 -19.9232 1.00000
116 -19.7439 1.00000
117 -19.6990 1.00000
118 -19.6152 1.00000
119 -19.5104 1.00000
120 -19.5041 1.00000
121 -19.3750 1.00000
122 -19.2856 1.00000
123 -19.2783 1.00000
124 -19.2562 1.00000
125 -19.2322 1.00000
126 -19.2238 1.00000
127 -19.1736 1.00000
128 -19.1149 1.00000
129 -18.9067 1.00000
130 -18.8885 1.00000
131 -18.8708 1.00000
132 -18.8703 1.00000
133 -18.8658 1.00000
134 -18.7543 1.00000
135 -18.7154 1.00000
136 -18.6951 1.00000
137 -18.6766 1.00000
138 -18.6110 1.00000
139 -18.5781 1.00000
140 -18.5541 1.00000
141 -18.4877 1.00000
142 -18.4733 1.00000
143 -18.4254 1.00000
144 -18.4124 1.00000
145 -18.3207 1.00000
146 -18.3112 1.00000
147 -18.2912 1.00000
148 -18.2577 1.00000
149 -18.2409 1.00000
150 -18.2294 1.00000
151 -18.2201 1.00000
152 -18.2099 1.00000
153 -17.9659 1.00000
154 -17.9628 1.00000
155 -17.9165 1.00000
156 -17.9155 1.00000
157 -17.6205 1.00000
158 -17.5952 1.00000
159 -17.5644 1.00000
160 -17.5610 1.00000
161 -11.7363 1.00000
162 -11.6829 1.00000
163 -11.4985 1.00000
164 -11.4730 1.00000
165 -11.2931 1.00000
166 -11.2855 1.00000
167 -11.1212 1.00000
168 -11.0686 1.00000
169 -10.6695 1.00000
170 -10.5770 1.00000
171 -10.5755 1.00000
172 -10.4943 1.00000
173 -10.1832 1.00000
174 -10.1487 1.00000
175 -10.0506 1.00000
176 -9.9675 1.00000
177 -7.4612 1.00000
178 -7.3605 1.00000
179 -7.2875 1.00000
180 -7.2804 1.00000
181 -7.2262 1.00000
182 -7.1924 1.00000
183 -7.0991 1.00000
184 -7.0659 1.00000
185 -7.0493 1.00000
186 -7.0258 1.00000
187 -6.9992 1.00000
188 -6.9060 1.00000
189 -6.8805 1.00000
190 -6.8648 1.00000
191 -6.7686 1.00000
192 -6.6600 1.00000
193 -6.5884 1.00000
194 -6.5594 1.00000
195 -6.5439 1.00000
196 -6.4040 1.00000
197 -6.3563 1.00000
198 -6.2909 1.00000
199 -6.2864 1.00000
200 -6.2778 1.00000
201 -6.2678 1.00000
202 -6.2613 1.00000
203 -6.2200 1.00000
204 -6.1278 1.00000
205 -6.1190 1.00000
206 -6.1056 1.00000
207 -6.0985 1.00000
208 -5.9495 1.00000
209 -5.9428 1.00000
210 -5.9153 1.00000
211 -5.8793 1.00000
212 -5.8691 1.00000
213 -5.8619 1.00000
214 -5.8571 1.00000
215 -5.6526 1.00000
216 -5.6445 1.00000
217 -5.6192 1.00000
218 -5.6166 1.00000
219 -5.5683 1.00000
220 -5.5422 1.00000
221 -5.5140 1.00000
222 -5.4629 1.00000
223 -5.3830 1.00000
224 -5.3547 1.00000
225 -5.2984 1.00000
226 -5.1894 1.00000
227 -5.1454 1.00000
228 -5.0731 1.00000
229 -5.0353 1.00000
230 -4.9343 1.00000
231 -4.8754 1.00000
232 -4.8668 1.00000
233 -4.8359 1.00000
234 -4.7626 1.00000
235 -4.7540 1.00000
236 -4.7451 1.00000
237 -4.7227 1.00000
238 -4.6477 1.00000
239 -4.6154 1.00000
240 -4.5289 1.00000
241 -4.5251 1.00000
242 -4.5056 1.00000
243 -4.5044 1.00000
244 -4.3817 1.00000
245 -4.3591 1.00000
246 -4.2820 1.00000
247 -4.1942 1.00000
248 -4.1796 1.00000
249 -4.0910 1.00000
250 -4.0624 1.00000
251 -4.0251 1.00000
252 -3.9919 1.00000
253 -3.9455 1.00000
254 -3.9362 1.00000
255 -3.9280 1.00000
256 -3.8609 1.00000
257 -3.8558 1.00000
258 -3.8271 1.00000
259 -3.7805 1.00000
260 -3.7623 1.00000
261 -3.7358 1.00000
262 -3.6785 1.00000
263 -3.6440 1.00000
264 -3.6100 1.00000
265 -3.5669 1.00000
266 -3.5332 1.00000
267 -3.5264 1.00000
268 -3.5185 1.00000
269 -3.5168 1.00000
270 -3.4550 1.00000
271 -3.3987 1.00000
272 -3.3585 1.00000
273 -3.3220 1.00000
274 -3.3068 1.00000
275 -3.2636 1.00000
276 -3.2497 1.00000
277 -3.1887 1.00000
278 -3.1776 1.00000
279 -3.1725 1.00000
280 -3.1404 1.00000
281 -3.1367 1.00000
282 -3.0747 1.00000
283 -3.0695 1.00000
284 -3.0380 1.00000
285 -3.0371 1.00000
286 -2.9458 1.00000
287 -2.9100 1.00000
288 -2.8828 1.00000
289 -2.8785 1.00000
290 -2.8561 1.00000
291 -2.8367 1.00000
292 -2.7982 1.00000
293 -2.7841 1.00000
294 -2.7823 1.00000
295 -2.7644 1.00000
296 -2.7604 1.00000
297 -2.7454 1.00000
298 -2.6992 1.00000
299 -2.6766 1.00000
300 -2.6765 1.00000
301 -2.6001 1.00000
302 -2.5992 1.00000
303 -2.5980 1.00000
304 -2.5593 1.00000
305 -2.4850 1.00000
306 -2.4715 1.00000
307 -2.4361 1.00000
308 -2.4351 1.00000
309 -2.3638 1.00000
310 -2.3592 1.00000
311 -2.3336 1.00000
312 -2.3272 1.00000
313 -2.2503 1.00000
314 -2.2137 1.00000
315 -2.1749 1.00000
316 -2.1467 1.00000
317 -2.1423 1.00000
318 -2.1375 1.00000
319 -2.0862 1.00000
320 -1.9934 1.00000
321 0.6598 0.00000
322 0.8840 0.00000
323 0.8934 0.00000
324 0.9215 0.00000
325 1.0398 0.00000
326 1.0702 0.00000
327 1.0739 0.00000
328 1.1159 0.00000
329 1.1352 0.00000
330 1.3260 0.00000
331 1.3793 0.00000
332 1.4141 0.00000
333 1.4354 0.00000
334 1.4359 0.00000
335 1.4983 0.00000
336 1.5170 0.00000
337 1.5322 0.00000
338 1.6117 0.00000
339 1.7042 0.00000
340 1.7336 0.00000
341 1.8972 0.00000
342 1.9040 0.00000
343 1.9668 0.00000
344 1.9703 0.00000
345 2.0463 0.00000
346 2.1083 0.00000
347 2.1256 0.00000
348 2.1396 0.00000
349 2.2323 0.00000
350 2.2562 0.00000
351 2.3277 0.00000
352 2.3463 0.00000
353 2.3479 0.00000
354 2.4983 0.00000
355 2.6379 0.00000
356 2.6761 0.00000
357 2.7675 0.00000
358 2.8358 0.00000
359 2.8977 0.00000
360 2.9132 0.00000
361 2.9874 0.00000
362 3.0314 0.00000
363 3.0338 0.00000
364 3.0776 0.00000
365 3.1350 0.00000
366 3.2233 0.00000
367 3.2269 0.00000
368 3.3769 0.00000
369 3.4759 0.00000
370 3.5190 0.00000
371 3.5243 0.00000
372 3.5406 0.00000
373 3.6732 0.00000
374 3.7642 0.00000
375 3.8252 0.00000
376 3.8351 0.00000
377 3.8557 0.00000
378 3.9764 0.00000
379 4.0141 0.00000
380 4.0220 0.00000
381 4.0953 0.00000
382 4.1038 0.00000
383 4.2087 0.00000
384 4.2556 0.00000
385 4.2624 0.00000
386 4.3436 0.00000
387 4.3715 0.00000
388 4.4010 0.00000
389 4.4035 0.00000
390 4.4141 0.00000
391 4.5800 0.00000
392 4.6226 0.00000
393 4.6989 0.00000
394 4.7320 0.00000
395 4.8344 0.00000
396 4.8823 0.00000
397 4.8923 0.00000
398 4.9088 0.00000
399 4.9527 0.00000
400 4.9676 0.00000
401 4.9714 0.00000
402 4.9963 0.00000
403 5.0304 0.00000
404 5.0383 0.00000
405 5.1352 0.00000
406 5.2762 0.00000
407 5.3132 0.00000
408 5.3284 0.00000
409 5.3362 0.00000
410 5.3549 0.00000
411 5.4245 0.00000
412 5.4714 0.00000
413 5.4926 0.00000
414 5.5152 0.00000
415 5.5324 0.00000
416 5.5487 0.00000
417 5.5740 0.00000
418 5.6961 0.00000
419 5.7071 0.00000
420 5.7549 0.00000
421 5.7655 0.00000
422 5.8072 0.00000
423 5.8342 0.00000
424 5.8795 0.00000
425 5.8984 0.00000
426 5.9176 0.00000
427 6.0738 0.00000
428 6.1182 0.00000
429 6.1324 0.00000
430 6.3013 0.00000
431 6.3368 0.00000
432 6.3725 0.00000
433 6.6506 0.00000
434 6.6562 0.00000
435 6.6873 0.00000
436 6.7019 0.00000
437 6.7636 0.00000
438 6.8101 0.00000
439 6.9219 0.00000
440 7.1122 0.00000
441 7.1325 0.00000
442 7.1917 0.00000
443 7.2083 0.00000
444 7.2129 0.00000
445 7.2158 0.00000
446 7.2281 0.00000
447 7.3814 0.00000
448 7.3928 0.00000
449 7.4069 0.00000
450 7.5654 0.00000
451 7.6788 0.00000
452 7.7397 0.00000
453 7.7976 0.00000
454 7.8431 0.00000
455 7.9126 0.00000
456 7.9792 0.00000
457 8.0164 0.00000
458 8.0262 0.00000
459 8.1290 0.00000
460 8.1533 0.00000
461 8.2035 0.00000
462 8.2331 0.00000
463 8.2539 0.00000
464 8.2949 0.00000
465 8.3728 0.00000
466 8.4158 0.00000
467 8.4322 0.00000
468 8.5047 0.00000
469 8.5430 0.00000
470 8.5626 0.00000
471 8.6080 0.00000
472 8.7576 0.00000
473 8.8774 0.00000
474 8.9052 0.00000
475 9.0836 0.00000
476 9.1771 0.00000
477 9.2829 0.00000
478 9.4051 0.00000
479 9.4294 0.00000
480 9.7227 0.00000
k-point 5 : 0.2500 0.2500 0.0000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3977 1.00000
3 -76.3970 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3924 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7497 1.00000
10 -40.7477 1.00000
11 -40.7475 1.00000
12 -40.7453 1.00000
13 -40.7432 1.00000
14 -40.7410 1.00000
15 -40.7400 1.00000
16 -40.7383 1.00000
17 -40.7276 1.00000
18 -40.7243 1.00000
19 -40.7238 1.00000
20 -40.7189 1.00000
21 -40.7168 1.00000
22 -40.7168 1.00000
23 -40.7128 1.00000
24 -40.7099 1.00000
25 -40.6667 1.00000
26 -40.6631 1.00000
27 -40.6598 1.00000
28 -40.6586 1.00000
29 -40.6561 1.00000
30 -40.6558 1.00000
31 -40.6516 1.00000
32 -40.6489 1.00000
33 -24.0200 1.00000
34 -24.0090 1.00000
35 -24.0075 1.00000
36 -24.0039 1.00000
37 -24.0009 1.00000
38 -23.9987 1.00000
39 -23.9970 1.00000
40 -23.9953 1.00000
41 -23.9941 1.00000
42 -23.9936 1.00000
43 -23.9887 1.00000
44 -23.9850 1.00000
45 -23.9832 1.00000
46 -23.9805 1.00000
47 -23.9775 1.00000
48 -23.9761 1.00000
49 -23.8789 1.00000
50 -23.8779 1.00000
51 -23.8584 1.00000
52 -23.8542 1.00000
53 -23.8428 1.00000
54 -23.8367 1.00000
55 -23.8259 1.00000
56 -23.8183 1.00000
57 -23.7933 1.00000
58 -23.7907 1.00000
59 -23.7894 1.00000
60 -23.7872 1.00000
61 -23.7830 1.00000
62 -23.7820 1.00000
63 -23.7805 1.00000
64 -23.7790 1.00000
65 -23.7773 1.00000
66 -23.7756 1.00000
67 -23.7713 1.00000
68 -23.7684 1.00000
69 -23.7644 1.00000
70 -23.7640 1.00000
71 -23.7612 1.00000
72 -23.7609 1.00000
73 -23.7583 1.00000
74 -23.7570 1.00000
75 -23.7418 1.00000
76 -23.7399 1.00000
77 -23.7344 1.00000
78 -23.7312 1.00000
79 -23.7247 1.00000
80 -23.7212 1.00000
81 -23.7199 1.00000
82 -23.7194 1.00000
83 -23.7194 1.00000
84 -23.7185 1.00000
85 -23.7159 1.00000
86 -23.7142 1.00000
87 -23.7131 1.00000
88 -23.7127 1.00000
89 -23.7110 1.00000
90 -23.7099 1.00000
91 -23.7086 1.00000
92 -23.7055 1.00000
93 -23.6877 1.00000
94 -23.6860 1.00000
95 -23.6790 1.00000
96 -23.6763 1.00000
97 -23.6343 1.00000
98 -23.6328 1.00000
99 -23.6239 1.00000
100 -23.6233 1.00000
101 -23.6177 1.00000
102 -23.6166 1.00000
103 -23.6127 1.00000
104 -23.6101 1.00000
105 -23.5970 1.00000
106 -23.5936 1.00000
107 -23.5931 1.00000
108 -23.5881 1.00000
109 -23.5850 1.00000
110 -23.5798 1.00000
111 -23.5729 1.00000
112 -23.5650 1.00000
113 -20.2270 1.00000
114 -20.0109 1.00000
115 -19.9453 1.00000
116 -19.7979 1.00000
117 -19.6249 1.00000
118 -19.5791 1.00000
119 -19.5150 1.00000
120 -19.5102 1.00000
121 -19.3623 1.00000
122 -19.2958 1.00000
123 -19.2777 1.00000
124 -19.2557 1.00000
125 -19.2441 1.00000
126 -19.2396 1.00000
127 -19.1570 1.00000
128 -19.1226 1.00000
129 -18.9079 1.00000
130 -18.8713 1.00000
131 -18.8711 1.00000
132 -18.8546 1.00000
133 -18.8349 1.00000
134 -18.7711 1.00000
135 -18.7660 1.00000
136 -18.7061 1.00000
137 -18.6625 1.00000
138 -18.6154 1.00000
139 -18.5751 1.00000
140 -18.5563 1.00000
141 -18.4785 1.00000
142 -18.4710 1.00000
143 -18.4257 1.00000
144 -18.4176 1.00000
145 -18.3142 1.00000
146 -18.3052 1.00000
147 -18.2910 1.00000
148 -18.2724 1.00000
149 -18.2412 1.00000
150 -18.2331 1.00000
151 -18.2132 1.00000
152 -18.2083 1.00000
153 -17.9653 1.00000
154 -17.9624 1.00000
155 -17.9168 1.00000
156 -17.9161 1.00000
157 -17.6165 1.00000
158 -17.5983 1.00000
159 -17.5640 1.00000
160 -17.5617 1.00000
161 -11.7026 1.00000
162 -11.6572 1.00000
163 -11.5302 1.00000
164 -11.5142 1.00000
165 -11.2704 1.00000
166 -11.2555 1.00000
167 -11.1482 1.00000
168 -11.1032 1.00000
169 -10.6547 1.00000
170 -10.5878 1.00000
171 -10.5642 1.00000
172 -10.5056 1.00000
173 -10.1709 1.00000
174 -10.1484 1.00000
175 -10.0382 1.00000
176 -9.9787 1.00000
177 -7.4525 1.00000
178 -7.3487 1.00000
179 -7.3182 1.00000
180 -7.2522 1.00000
181 -7.2014 1.00000
182 -7.1793 1.00000
183 -7.0826 1.00000
184 -7.0812 1.00000
185 -7.0526 1.00000
186 -6.9923 1.00000
187 -6.9640 1.00000
188 -6.9017 1.00000
189 -6.8917 1.00000
190 -6.8844 1.00000
191 -6.7687 1.00000
192 -6.6595 1.00000
193 -6.6078 1.00000
194 -6.5867 1.00000
195 -6.5432 1.00000
196 -6.4605 1.00000
197 -6.3711 1.00000
198 -6.3618 1.00000
199 -6.3287 1.00000
200 -6.2701 1.00000
201 -6.2700 1.00000
202 -6.1725 1.00000
203 -6.1580 1.00000
204 -6.1492 1.00000
205 -6.0913 1.00000
206 -6.0347 1.00000
207 -6.0090 1.00000
208 -6.0052 1.00000
209 -5.9908 1.00000
210 -5.9694 1.00000
211 -5.9153 1.00000
212 -5.8691 1.00000
213 -5.8501 1.00000
214 -5.8444 1.00000
215 -5.7300 1.00000
216 -5.6795 1.00000
217 -5.6690 1.00000
218 -5.6379 1.00000
219 -5.5609 1.00000
220 -5.5525 1.00000
221 -5.4970 1.00000
222 -5.4387 1.00000
223 -5.4299 1.00000
224 -5.3529 1.00000
225 -5.2839 1.00000
226 -5.2003 1.00000
227 -5.1410 1.00000
228 -5.1315 1.00000
229 -4.9537 1.00000
230 -4.9070 1.00000
231 -4.8867 1.00000
232 -4.8723 1.00000
233 -4.8602 1.00000
234 -4.7801 1.00000
235 -4.7664 1.00000
236 -4.6826 1.00000
237 -4.6803 1.00000
238 -4.6174 1.00000
239 -4.5926 1.00000
240 -4.5880 1.00000
241 -4.4941 1.00000
242 -4.4749 1.00000
243 -4.3728 1.00000
244 -4.3710 1.00000
245 -4.3231 1.00000
246 -4.2421 1.00000
247 -4.2403 1.00000
248 -4.2309 1.00000
249 -4.1083 1.00000
250 -4.1065 1.00000
251 -4.0481 1.00000
252 -4.0454 1.00000
253 -3.9525 1.00000
254 -3.9389 1.00000
255 -3.9074 1.00000
256 -3.8356 1.00000
257 -3.8251 1.00000
258 -3.8240 1.00000
259 -3.8207 1.00000
260 -3.7335 1.00000
261 -3.6557 1.00000
262 -3.6431 1.00000
263 -3.6351 1.00000
264 -3.5876 1.00000
265 -3.5348 1.00000
266 -3.5312 1.00000
267 -3.4867 1.00000
268 -3.4824 1.00000
269 -3.4641 1.00000
270 -3.4419 1.00000
271 -3.4255 1.00000
272 -3.3509 1.00000
273 -3.3493 1.00000
274 -3.2855 1.00000
275 -3.2784 1.00000
276 -3.2413 1.00000
277 -3.2071 1.00000
278 -3.1988 1.00000
279 -3.1893 1.00000
280 -3.1222 1.00000
281 -3.1033 1.00000
282 -3.0935 1.00000
283 -3.0821 1.00000
284 -3.0324 1.00000
285 -2.9866 1.00000
286 -2.9648 1.00000
287 -2.9579 1.00000
288 -2.9078 1.00000
289 -2.8865 1.00000
290 -2.8733 1.00000
291 -2.8327 1.00000
292 -2.8198 1.00000
293 -2.7901 1.00000
294 -2.7881 1.00000
295 -2.7548 1.00000
296 -2.7464 1.00000
297 -2.7326 1.00000
298 -2.7096 1.00000
299 -2.6821 1.00000
300 -2.6818 1.00000
301 -2.6493 1.00000
302 -2.6423 1.00000
303 -2.6359 1.00000
304 -2.5538 1.00000
305 -2.5044 1.00000
306 -2.4718 1.00000
307 -2.4667 1.00000
308 -2.4485 1.00000
309 -2.4056 1.00000
310 -2.3316 1.00000
311 -2.3141 1.00000
312 -2.3100 1.00000
313 -2.3055 1.00000
314 -2.2979 1.00000
315 -2.1963 1.00000
316 -2.1860 1.00000
317 -2.1607 1.00000
318 -2.0802 1.00000
319 -2.0664 1.00000
320 -1.9703 1.00000
321 0.7252 0.00000
322 0.8915 0.00000
323 0.9184 0.00000
324 0.9806 0.00000
325 1.0361 0.00000
326 1.0908 0.00000
327 1.1103 0.00000
328 1.1159 0.00000
329 1.2082 0.00000
330 1.3180 0.00000
331 1.3444 0.00000
332 1.3658 0.00000
333 1.3760 0.00000
334 1.4162 0.00000
335 1.5126 0.00000
336 1.5629 0.00000
337 1.5795 0.00000
338 1.6633 0.00000
339 1.6721 0.00000
340 1.7806 0.00000
341 1.8165 0.00000
342 1.8264 0.00000
343 1.9510 0.00000
344 1.9734 0.00000
345 2.0509 0.00000
346 2.0669 0.00000
347 2.1290 0.00000
348 2.1462 0.00000
349 2.1593 0.00000
350 2.1741 0.00000
351 2.2727 0.00000
352 2.3553 0.00000
353 2.3721 0.00000
354 2.5385 0.00000
355 2.5758 0.00000
356 2.6784 0.00000
357 2.7465 0.00000
358 2.7728 0.00000
359 2.8630 0.00000
360 2.9063 0.00000
361 2.9349 0.00000
362 3.0032 0.00000
363 3.0392 0.00000
364 3.1836 0.00000
365 3.1862 0.00000
366 3.2570 0.00000
367 3.3803 0.00000
368 3.3935 0.00000
369 3.5136 0.00000
370 3.5562 0.00000
371 3.5726 0.00000
372 3.6571 0.00000
373 3.7064 0.00000
374 3.7253 0.00000
375 3.7774 0.00000
376 3.8740 0.00000
377 3.8959 0.00000
378 3.9295 0.00000
379 4.0080 0.00000
380 4.0816 0.00000
381 4.0912 0.00000
382 4.1488 0.00000
383 4.2086 0.00000
384 4.2268 0.00000
385 4.2903 0.00000
386 4.3222 0.00000
387 4.3593 0.00000
388 4.3867 0.00000
389 4.4910 0.00000
390 4.4982 0.00000
391 4.5398 0.00000
392 4.6479 0.00000
393 4.6524 0.00000
394 4.6558 0.00000
395 4.7913 0.00000
396 4.7963 0.00000
397 4.8148 0.00000
398 4.8531 0.00000
399 4.9170 0.00000
400 4.9197 0.00000
401 4.9425 0.00000
402 5.0155 0.00000
403 5.0268 0.00000
404 5.0293 0.00000
405 5.0931 0.00000
406 5.1106 0.00000
407 5.2121 0.00000
408 5.2457 0.00000
409 5.2506 0.00000
410 5.4155 0.00000
411 5.4545 0.00000
412 5.4735 0.00000
413 5.4743 0.00000
414 5.4978 0.00000
415 5.5587 0.00000
416 5.5994 0.00000
417 5.6479 0.00000
418 5.6665 0.00000
419 5.7706 0.00000
420 5.8515 0.00000
421 5.8604 0.00000
422 5.8740 0.00000
423 5.9077 0.00000
424 5.9281 0.00000
425 6.1036 0.00000
426 6.1383 0.00000
427 6.1763 0.00000
428 6.1779 0.00000
429 6.1835 0.00000
430 6.2129 0.00000
431 6.3627 0.00000
432 6.4169 0.00000
433 6.4268 0.00000
434 6.4694 0.00000
435 6.6974 0.00000
436 6.8724 0.00000
437 6.8732 0.00000
438 6.9658 0.00000
439 7.0079 0.00000
440 7.0212 0.00000
441 7.0640 0.00000
442 7.0784 0.00000
443 7.1983 0.00000
444 7.2229 0.00000
445 7.2445 0.00000
446 7.3448 0.00000
447 7.3886 0.00000
448 7.4375 0.00000
449 7.4881 0.00000
450 7.5105 0.00000
451 7.5762 0.00000
452 7.5834 0.00000
453 7.6457 0.00000
454 7.7086 0.00000
455 7.8246 0.00000
456 7.8500 0.00000
457 7.8645 0.00000
458 7.8703 0.00000
459 7.9637 0.00000
460 8.0294 0.00000
461 8.1135 0.00000
462 8.1768 0.00000
463 8.1804 0.00000
464 8.2191 0.00000
465 8.2662 0.00000
466 8.3728 0.00000
467 8.3750 0.00000
468 8.4147 0.00000
469 8.5639 0.00000
470 8.6266 0.00000
471 8.6419 0.00000
472 8.7034 0.00000
473 8.7435 0.00000
474 8.7624 0.00000
475 8.7849 0.00000
476 8.8298 0.00000
477 8.8636 0.00000
478 8.9315 0.00000
479 8.9915 0.00000
480 9.0093 0.00000
k-point 6 : -0.2500 0.2500 0.0000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3977 1.00000
3 -76.3970 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3924 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7498 1.00000
10 -40.7477 1.00000
11 -40.7476 1.00000
12 -40.7453 1.00000
13 -40.7428 1.00000
14 -40.7406 1.00000
15 -40.7403 1.00000
16 -40.7385 1.00000
17 -40.7277 1.00000
18 -40.7243 1.00000
19 -40.7240 1.00000
20 -40.7187 1.00000
21 -40.7167 1.00000
22 -40.7167 1.00000
23 -40.7129 1.00000
24 -40.7099 1.00000
25 -40.6667 1.00000
26 -40.6631 1.00000
27 -40.6598 1.00000
28 -40.6586 1.00000
29 -40.6560 1.00000
30 -40.6558 1.00000
31 -40.6516 1.00000
32 -40.6489 1.00000
33 -24.0200 1.00000
34 -24.0090 1.00000
35 -24.0075 1.00000
36 -24.0040 1.00000
37 -24.0008 1.00000
38 -23.9987 1.00000
39 -23.9969 1.00000
40 -23.9952 1.00000
41 -23.9941 1.00000
42 -23.9937 1.00000
43 -23.9887 1.00000
44 -23.9849 1.00000
45 -23.9832 1.00000
46 -23.9805 1.00000
47 -23.9776 1.00000
48 -23.9762 1.00000
49 -23.8789 1.00000
50 -23.8779 1.00000
51 -23.8584 1.00000
52 -23.8542 1.00000
53 -23.8428 1.00000
54 -23.8367 1.00000
55 -23.8259 1.00000
56 -23.8183 1.00000
57 -23.7932 1.00000
58 -23.7909 1.00000
59 -23.7894 1.00000
60 -23.7873 1.00000
61 -23.7827 1.00000
62 -23.7822 1.00000
63 -23.7805 1.00000
64 -23.7790 1.00000
65 -23.7773 1.00000
66 -23.7756 1.00000
67 -23.7713 1.00000
68 -23.7685 1.00000
69 -23.7644 1.00000
70 -23.7640 1.00000
71 -23.7612 1.00000
72 -23.7609 1.00000
73 -23.7584 1.00000
74 -23.7569 1.00000
75 -23.7418 1.00000
76 -23.7399 1.00000
77 -23.7344 1.00000
78 -23.7312 1.00000
79 -23.7247 1.00000
80 -23.7212 1.00000
81 -23.7198 1.00000
82 -23.7194 1.00000
83 -23.7194 1.00000
84 -23.7185 1.00000
85 -23.7159 1.00000
86 -23.7144 1.00000
87 -23.7130 1.00000
88 -23.7127 1.00000
89 -23.7110 1.00000
90 -23.7099 1.00000
91 -23.7086 1.00000
92 -23.7055 1.00000
93 -23.6877 1.00000
94 -23.6860 1.00000
95 -23.6790 1.00000
96 -23.6763 1.00000
97 -23.6343 1.00000
98 -23.6328 1.00000
99 -23.6240 1.00000
100 -23.6233 1.00000
101 -23.6177 1.00000
102 -23.6166 1.00000
103 -23.6127 1.00000
104 -23.6101 1.00000
105 -23.5970 1.00000
106 -23.5936 1.00000
107 -23.5931 1.00000
108 -23.5881 1.00000
109 -23.5850 1.00000
110 -23.5798 1.00000
111 -23.5729 1.00000
112 -23.5650 1.00000
113 -20.2271 1.00000
114 -20.0107 1.00000
115 -19.9450 1.00000
116 -19.7987 1.00000
117 -19.6252 1.00000
118 -19.5777 1.00000
119 -19.5161 1.00000
120 -19.5101 1.00000
121 -19.3614 1.00000
122 -19.2963 1.00000
123 -19.2778 1.00000
124 -19.2557 1.00000
125 -19.2440 1.00000
126 -19.2396 1.00000
127 -19.1570 1.00000
128 -19.1225 1.00000
129 -18.9075 1.00000
130 -18.8718 1.00000
131 -18.8714 1.00000
132 -18.8546 1.00000
133 -18.8345 1.00000
134 -18.7709 1.00000
135 -18.7662 1.00000
136 -18.7061 1.00000
137 -18.6623 1.00000
138 -18.6155 1.00000
139 -18.5752 1.00000
140 -18.5563 1.00000
141 -18.4785 1.00000
142 -18.4710 1.00000
143 -18.4256 1.00000
144 -18.4177 1.00000
145 -18.3142 1.00000
146 -18.3052 1.00000
147 -18.2910 1.00000
148 -18.2724 1.00000
149 -18.2412 1.00000
150 -18.2331 1.00000
151 -18.2132 1.00000
152 -18.2083 1.00000
153 -17.9653 1.00000
154 -17.9624 1.00000
155 -17.9169 1.00000
156 -17.9161 1.00000
157 -17.6165 1.00000
158 -17.5983 1.00000
159 -17.5640 1.00000
160 -17.5617 1.00000
161 -11.7026 1.00000
162 -11.6572 1.00000
163 -11.5301 1.00000
164 -11.5142 1.00000
165 -11.2703 1.00000
166 -11.2555 1.00000
167 -11.1483 1.00000
168 -11.1032 1.00000
169 -10.6548 1.00000
170 -10.5877 1.00000
171 -10.5642 1.00000
172 -10.5056 1.00000
173 -10.1710 1.00000
174 -10.1483 1.00000
175 -10.0382 1.00000
176 -9.9786 1.00000
177 -7.4534 1.00000
178 -7.3499 1.00000
179 -7.3176 1.00000
180 -7.2516 1.00000
181 -7.1998 1.00000
182 -7.1785 1.00000
183 -7.0834 1.00000
184 -7.0812 1.00000
185 -7.0527 1.00000
186 -6.9912 1.00000
187 -6.9639 1.00000
188 -6.9019 1.00000
189 -6.8922 1.00000
190 -6.8840 1.00000
191 -6.7694 1.00000
192 -6.6599 1.00000
193 -6.6089 1.00000
194 -6.5876 1.00000
195 -6.5426 1.00000
196 -6.4607 1.00000
197 -6.3715 1.00000
198 -6.3614 1.00000
199 -6.3288 1.00000
200 -6.2705 1.00000
201 -6.2704 1.00000
202 -6.1728 1.00000
203 -6.1583 1.00000
204 -6.1485 1.00000
205 -6.0912 1.00000
206 -6.0345 1.00000
207 -6.0079 1.00000
208 -6.0048 1.00000
209 -5.9906 1.00000
210 -5.9685 1.00000
211 -5.9144 1.00000
212 -5.8695 1.00000
213 -5.8500 1.00000
214 -5.8439 1.00000
215 -5.7298 1.00000
216 -5.6799 1.00000
217 -5.6694 1.00000
218 -5.6382 1.00000
219 -5.5618 1.00000
220 -5.5517 1.00000
221 -5.4977 1.00000
222 -5.4393 1.00000
223 -5.4291 1.00000
224 -5.3532 1.00000
225 -5.2839 1.00000
226 -5.2003 1.00000
227 -5.1415 1.00000
228 -5.1315 1.00000
229 -4.9538 1.00000
230 -4.9064 1.00000
231 -4.8867 1.00000
232 -4.8723 1.00000
233 -4.8601 1.00000
234 -4.7805 1.00000
235 -4.7665 1.00000
236 -4.6824 1.00000
237 -4.6800 1.00000
238 -4.6175 1.00000
239 -4.5923 1.00000
240 -4.5885 1.00000
241 -4.4940 1.00000
242 -4.4743 1.00000
243 -4.3735 1.00000
244 -4.3710 1.00000
245 -4.3234 1.00000
246 -4.2419 1.00000
247 -4.2400 1.00000
248 -4.2308 1.00000
249 -4.1084 1.00000
250 -4.1065 1.00000
251 -4.0486 1.00000
252 -4.0451 1.00000
253 -3.9524 1.00000
254 -3.9390 1.00000
255 -3.9072 1.00000
256 -3.8349 1.00000
257 -3.8252 1.00000
258 -3.8238 1.00000
259 -3.8205 1.00000
260 -3.7336 1.00000
261 -3.6559 1.00000
262 -3.6434 1.00000
263 -3.6351 1.00000
264 -3.5880 1.00000
265 -3.5347 1.00000
266 -3.5310 1.00000
267 -3.4866 1.00000
268 -3.4824 1.00000
269 -3.4643 1.00000
270 -3.4417 1.00000
271 -3.4256 1.00000
272 -3.3507 1.00000
273 -3.3498 1.00000
274 -3.2857 1.00000
275 -3.2785 1.00000
276 -3.2414 1.00000
277 -3.2070 1.00000
278 -3.1986 1.00000
279 -3.1896 1.00000
280 -3.1222 1.00000
281 -3.1035 1.00000
282 -3.0936 1.00000
283 -3.0818 1.00000
284 -3.0322 1.00000
285 -2.9863 1.00000
286 -2.9646 1.00000
287 -2.9580 1.00000
288 -2.9079 1.00000
289 -2.8866 1.00000
290 -2.8736 1.00000
291 -2.8325 1.00000
292 -2.8197 1.00000
293 -2.7901 1.00000
294 -2.7880 1.00000
295 -2.7549 1.00000
296 -2.7465 1.00000
297 -2.7324 1.00000
298 -2.7095 1.00000
299 -2.6821 1.00000
300 -2.6818 1.00000
301 -2.6491 1.00000
302 -2.6423 1.00000
303 -2.6362 1.00000
304 -2.5539 1.00000
305 -2.5043 1.00000
306 -2.4719 1.00000
307 -2.4664 1.00000
308 -2.4488 1.00000
309 -2.4057 1.00000
310 -2.3315 1.00000
311 -2.3141 1.00000
312 -2.3100 1.00000
313 -2.3052 1.00000
314 -2.2975 1.00000
315 -2.1966 1.00000
316 -2.1861 1.00000
317 -2.1610 1.00000
318 -2.0803 1.00000
319 -2.0664 1.00000
320 -1.9701 1.00000
321 0.7253 0.00000
322 0.8915 0.00000
323 0.9183 0.00000
324 0.9806 0.00000
325 1.0362 0.00000
326 1.0909 0.00000
327 1.1102 0.00000
328 1.1162 0.00000
329 1.2075 0.00000
330 1.3178 0.00000
331 1.3444 0.00000
332 1.3658 0.00000
333 1.3760 0.00000
334 1.4165 0.00000
335 1.5128 0.00000
336 1.5631 0.00000
337 1.5792 0.00000
338 1.6633 0.00000
339 1.6723 0.00000
340 1.7806 0.00000
341 1.8164 0.00000
342 1.8266 0.00000
343 1.9511 0.00000
344 1.9737 0.00000
345 2.0507 0.00000
346 2.0671 0.00000
347 2.1288 0.00000
348 2.1459 0.00000
349 2.1589 0.00000
350 2.1741 0.00000
351 2.2729 0.00000
352 2.3553 0.00000
353 2.3722 0.00000
354 2.5388 0.00000
355 2.5757 0.00000
356 2.6787 0.00000
357 2.7465 0.00000
358 2.7729 0.00000
359 2.8629 0.00000
360 2.9060 0.00000
361 2.9347 0.00000
362 3.0033 0.00000
363 3.0395 0.00000
364 3.1836 0.00000
365 3.1864 0.00000
366 3.2563 0.00000
367 3.3803 0.00000
368 3.3936 0.00000
369 3.5142 0.00000
370 3.5561 0.00000
371 3.5727 0.00000
372 3.6567 0.00000
373 3.7056 0.00000
374 3.7251 0.00000
375 3.7777 0.00000
376 3.8744 0.00000
377 3.8960 0.00000
378 3.9294 0.00000
379 4.0081 0.00000
380 4.0810 0.00000
381 4.0918 0.00000
382 4.1489 0.00000
383 4.2082 0.00000
384 4.2279 0.00000
385 4.2901 0.00000
386 4.3223 0.00000
387 4.3589 0.00000
388 4.3868 0.00000
389 4.4910 0.00000
390 4.4980 0.00000
391 4.5395 0.00000
392 4.6480 0.00000
393 4.6524 0.00000
394 4.6560 0.00000
395 4.7916 0.00000
396 4.7962 0.00000
397 4.8146 0.00000
398 4.8528 0.00000
399 4.9169 0.00000
400 4.9196 0.00000
401 4.9424 0.00000
402 5.0158 0.00000
403 5.0269 0.00000
404 5.0292 0.00000
405 5.0934 0.00000
406 5.1106 0.00000
407 5.2122 0.00000
408 5.2455 0.00000
409 5.2502 0.00000
410 5.4153 0.00000
411 5.4544 0.00000
412 5.4740 0.00000
413 5.4745 0.00000
414 5.4977 0.00000
415 5.5585 0.00000
416 5.5994 0.00000
417 5.6478 0.00000
418 5.6666 0.00000
419 5.7707 0.00000
420 5.8516 0.00000
421 5.8604 0.00000
422 5.8739 0.00000
423 5.9075 0.00000
424 5.9282 0.00000
425 6.1035 0.00000
426 6.1382 0.00000
427 6.1764 0.00000
428 6.1779 0.00000
429 6.1835 0.00000
430 6.2130 0.00000
431 6.3627 0.00000
432 6.4169 0.00000
433 6.4268 0.00000
434 6.4694 0.00000
435 6.6974 0.00000
436 6.8724 0.00000
437 6.8733 0.00000
438 6.9659 0.00000
439 7.0105 0.00000
440 7.0215 0.00000
441 7.0638 0.00000
442 7.0843 0.00000
443 7.1984 0.00000
444 7.2230 0.00000
445 7.2445 0.00000
446 7.3452 0.00000
447 7.3893 0.00000
448 7.4881 0.00000
449 7.5518 0.00000
450 7.5755 0.00000
451 7.5895 0.00000
452 7.5962 0.00000
453 7.7219 0.00000
454 7.7381 0.00000
455 7.8248 0.00000
456 7.9572 0.00000
457 8.0251 0.00000
458 8.0266 0.00000
459 8.0445 0.00000
460 8.1932 0.00000
461 8.2434 0.00000
462 8.2880 0.00000
463 8.3097 0.00000
464 8.4088 0.00000
465 8.4811 0.00000
466 8.5060 0.00000
467 8.5783 0.00000
468 8.6484 0.00000
469 8.7155 0.00000
470 8.7421 0.00000
471 8.8805 0.00000
472 8.9255 0.00000
473 8.9541 0.00000
474 9.0475 0.00000
475 9.4674 0.00000
476 9.5124 0.00000
477 9.5269 0.00000
478 9.8386 0.00000
479 10.1955 0.00000
480 10.7633 0.00000
k-point 7 : 0.5000 0.2500 0.0000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3977 1.00000
3 -76.3969 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3924 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7490 1.00000
10 -40.7483 1.00000
11 -40.7474 1.00000
12 -40.7461 1.00000
13 -40.7421 1.00000
14 -40.7417 1.00000
15 -40.7394 1.00000
16 -40.7389 1.00000
17 -40.7280 1.00000
18 -40.7248 1.00000
19 -40.7228 1.00000
20 -40.7199 1.00000
21 -40.7163 1.00000
22 -40.7155 1.00000
23 -40.7130 1.00000
24 -40.7106 1.00000
25 -40.6667 1.00000
26 -40.6631 1.00000
27 -40.6599 1.00000
28 -40.6586 1.00000
29 -40.6561 1.00000
30 -40.6557 1.00000
31 -40.6516 1.00000
32 -40.6489 1.00000
33 -24.0150 1.00000
34 -24.0146 1.00000
35 -24.0033 1.00000
36 -24.0030 1.00000
37 -24.0029 1.00000
38 -24.0005 1.00000
39 -23.9963 1.00000
40 -23.9959 1.00000
41 -23.9947 1.00000
42 -23.9944 1.00000
43 -23.9885 1.00000
44 -23.9868 1.00000
45 -23.9816 1.00000
46 -23.9785 1.00000
47 -23.9785 1.00000
48 -23.9765 1.00000
49 -23.8787 1.00000
50 -23.8783 1.00000
51 -23.8581 1.00000
52 -23.8547 1.00000
53 -23.8400 1.00000
54 -23.8396 1.00000
55 -23.8238 1.00000
56 -23.8207 1.00000
57 -23.7924 1.00000
58 -23.7919 1.00000
59 -23.7887 1.00000
60 -23.7883 1.00000
61 -23.7827 1.00000
62 -23.7822 1.00000
63 -23.7789 1.00000
64 -23.7787 1.00000
65 -23.7786 1.00000
66 -23.7758 1.00000
67 -23.7709 1.00000
68 -23.7689 1.00000
69 -23.7639 1.00000
70 -23.7635 1.00000
71 -23.7619 1.00000
72 -23.7609 1.00000
73 -23.7578 1.00000
74 -23.7573 1.00000
75 -23.7411 1.00000
76 -23.7408 1.00000
77 -23.7342 1.00000
78 -23.7313 1.00000
79 -23.7239 1.00000
80 -23.7213 1.00000
81 -23.7199 1.00000
82 -23.7199 1.00000
83 -23.7195 1.00000
84 -23.7194 1.00000
85 -23.7152 1.00000
86 -23.7139 1.00000
87 -23.7137 1.00000
88 -23.7134 1.00000
89 -23.7098 1.00000
90 -23.7090 1.00000
91 -23.7084 1.00000
92 -23.7064 1.00000
93 -23.6835 1.00000
94 -23.6831 1.00000
95 -23.6824 1.00000
96 -23.6796 1.00000
97 -23.6308 1.00000
98 -23.6291 1.00000
99 -23.6287 1.00000
100 -23.6281 1.00000
101 -23.6156 1.00000
102 -23.6152 1.00000
103 -23.6150 1.00000
104 -23.6123 1.00000
105 -23.5952 1.00000
106 -23.5949 1.00000
107 -23.5917 1.00000
108 -23.5890 1.00000
109 -23.5786 1.00000
110 -23.5783 1.00000
111 -23.5732 1.00000
112 -23.5705 1.00000
113 -20.1415 1.00000
114 -20.1337 1.00000
115 -19.8865 1.00000
116 -19.8788 1.00000
117 -19.5450 1.00000
118 -19.5404 1.00000
119 -19.5383 1.00000
120 -19.5343 1.00000
121 -19.3294 1.00000
122 -19.3278 1.00000
123 -19.2665 1.00000
124 -19.2634 1.00000
125 -19.2574 1.00000
126 -19.2502 1.00000
127 -19.1400 1.00000
128 -19.1354 1.00000
129 -18.8908 1.00000
130 -18.8882 1.00000
131 -18.8231 1.00000
132 -18.8219 1.00000
133 -18.8196 1.00000
134 -18.8173 1.00000
135 -18.7707 1.00000
136 -18.7685 1.00000
137 -18.6354 1.00000
138 -18.6319 1.00000
139 -18.5651 1.00000
140 -18.5649 1.00000
141 -18.4697 1.00000
142 -18.4686 1.00000
143 -18.4253 1.00000
144 -18.4245 1.00000
145 -18.2970 1.00000
146 -18.2961 1.00000
147 -18.2954 1.00000
148 -18.2943 1.00000
149 -18.2404 1.00000
150 -18.2386 1.00000
151 -18.2084 1.00000
152 -18.2070 1.00000
153 -17.9645 1.00000
154 -17.9620 1.00000
155 -17.9173 1.00000
156 -17.9166 1.00000
157 -17.6082 1.00000
158 -17.6058 1.00000
159 -17.5632 1.00000
160 -17.5626 1.00000
161 -11.6169 1.00000
162 -11.6165 1.00000
163 -11.5936 1.00000
164 -11.5904 1.00000
165 -11.2128 1.00000
166 -11.2096 1.00000
167 -11.1820 1.00000
168 -11.1816 1.00000
169 -10.6221 1.00000
170 -10.6180 1.00000
171 -10.5343 1.00000
172 -10.5340 1.00000
173 -10.1560 1.00000
174 -10.1511 1.00000
175 -10.0080 1.00000
176 -10.0074 1.00000
177 -7.4008 1.00000
178 -7.3945 1.00000
179 -7.3015 1.00000
180 -7.2974 1.00000
181 -7.1580 1.00000
182 -7.1557 1.00000
183 -7.0785 1.00000
184 -7.0782 1.00000
185 -6.9970 1.00000
186 -6.9934 1.00000
187 -6.9373 1.00000
188 -6.9327 1.00000
189 -6.8635 1.00000
190 -6.8615 1.00000
191 -6.7716 1.00000
192 -6.7700 1.00000
193 -6.5843 1.00000
194 -6.5829 1.00000
195 -6.4803 1.00000
196 -6.4746 1.00000
197 -6.4444 1.00000
198 -6.4421 1.00000
199 -6.3259 1.00000
200 -6.3230 1.00000
201 -6.1654 1.00000
202 -6.1643 1.00000
203 -6.1486 1.00000
204 -6.1452 1.00000
205 -6.1011 1.00000
206 -6.0994 1.00000
207 -6.0759 1.00000
208 -6.0751 1.00000
209 -5.9084 1.00000
210 -5.9074 1.00000
211 -5.8724 1.00000
212 -5.8702 1.00000
213 -5.7699 1.00000
214 -5.7691 1.00000
215 -5.7684 1.00000
216 -5.7680 1.00000
217 -5.6862 1.00000
218 -5.6848 1.00000
219 -5.6170 1.00000
220 -5.6164 1.00000
221 -5.4639 1.00000
222 -5.4628 1.00000
223 -5.3745 1.00000
224 -5.3734 1.00000
225 -5.3302 1.00000
226 -5.3275 1.00000
227 -4.9946 1.00000
228 -4.9929 1.00000
229 -4.9922 1.00000
230 -4.9919 1.00000
231 -4.9024 1.00000
232 -4.9008 1.00000
233 -4.8512 1.00000
234 -4.8508 1.00000
235 -4.6925 1.00000
236 -4.6919 1.00000
237 -4.6730 1.00000
238 -4.6719 1.00000
239 -4.4698 1.00000
240 -4.4649 1.00000
241 -4.4610 1.00000
242 -4.4602 1.00000
243 -4.3641 1.00000
244 -4.3615 1.00000
245 -4.3055 1.00000
246 -4.3042 1.00000
247 -4.1926 1.00000
248 -4.1923 1.00000
249 -4.1691 1.00000
250 -4.1668 1.00000
251 -4.0506 1.00000
252 -4.0486 1.00000
253 -3.9790 1.00000
254 -3.9778 1.00000
255 -3.8341 1.00000
256 -3.8334 1.00000
257 -3.8034 1.00000
258 -3.8025 1.00000
259 -3.7349 1.00000
260 -3.7345 1.00000
261 -3.6788 1.00000
262 -3.6772 1.00000
263 -3.5853 1.00000
264 -3.5831 1.00000
265 -3.5371 1.00000
266 -3.5366 1.00000
267 -3.4929 1.00000
268 -3.4917 1.00000
269 -3.3930 1.00000
270 -3.3925 1.00000
271 -3.3724 1.00000
272 -3.3711 1.00000
273 -3.3111 1.00000
274 -3.3109 1.00000
275 -3.2793 1.00000
276 -3.2768 1.00000
277 -3.2313 1.00000
278 -3.2304 1.00000
279 -3.1290 1.00000
280 -3.1226 1.00000
281 -3.0783 1.00000
282 -3.0763 1.00000
283 -3.0369 1.00000
284 -3.0360 1.00000
285 -2.9906 1.00000
286 -2.9889 1.00000
287 -2.9189 1.00000
288 -2.9173 1.00000
289 -2.9165 1.00000
290 -2.9149 1.00000
291 -2.8399 1.00000
292 -2.8393 1.00000
293 -2.8017 1.00000
294 -2.8003 1.00000
295 -2.7701 1.00000
296 -2.7689 1.00000
297 -2.7381 1.00000
298 -2.7375 1.00000
299 -2.7061 1.00000
300 -2.7055 1.00000
301 -2.6826 1.00000
302 -2.6815 1.00000
303 -2.5582 1.00000
304 -2.5577 1.00000
305 -2.5119 1.00000
306 -2.5110 1.00000
307 -2.4985 1.00000
308 -2.4959 1.00000
309 -2.4453 1.00000
310 -2.4446 1.00000
311 -2.3096 1.00000
312 -2.3069 1.00000
313 -2.2503 1.00000
314 -2.2493 1.00000
315 -2.2353 1.00000
316 -2.2346 1.00000
317 -2.0944 1.00000
318 -2.0930 1.00000
319 -2.0244 1.00000
320 -2.0237 1.00000
321 0.8486 0.00000
322 0.8496 0.00000
323 0.9875 0.00000
324 0.9915 0.00000
325 1.0921 0.00000
326 1.0963 0.00000
327 1.1367 0.00000
328 1.1405 0.00000
329 1.2535 0.00000
330 1.2541 0.00000
331 1.2624 0.00000
332 1.2628 0.00000
333 1.4661 0.00000
334 1.4675 0.00000
335 1.5729 0.00000
336 1.5734 0.00000
337 1.5984 0.00000
338 1.5999 0.00000
339 1.7486 0.00000
340 1.7502 0.00000
341 1.7744 0.00000
342 1.7762 0.00000
343 1.9295 0.00000
344 1.9318 0.00000
345 2.0228 0.00000
346 2.0235 0.00000
347 2.1333 0.00000
348 2.1340 0.00000
349 2.1515 0.00000
350 2.1526 0.00000
351 2.2209 0.00000
352 2.2226 0.00000
353 2.4552 0.00000
354 2.4568 0.00000
355 2.7027 0.00000
356 2.7030 0.00000
357 2.7320 0.00000
358 2.7328 0.00000
359 2.7658 0.00000
360 2.7674 0.00000
361 3.0290 0.00000
362 3.0307 0.00000
363 3.1927 0.00000
364 3.1941 0.00000
365 3.2028 0.00000
366 3.2037 0.00000
367 3.4201 0.00000
368 3.4207 0.00000
369 3.5994 0.00000
370 3.6007 0.00000
371 3.6679 0.00000
372 3.6690 0.00000
373 3.7572 0.00000
374 3.7581 0.00000
375 3.7645 0.00000
376 3.7654 0.00000
377 3.9340 0.00000
378 3.9341 0.00000
379 4.0760 0.00000
380 4.0765 0.00000
381 4.1243 0.00000
382 4.1251 0.00000
383 4.1904 0.00000
384 4.1910 0.00000
385 4.3829 0.00000
386 4.3834 0.00000
387 4.4105 0.00000
388 4.4117 0.00000
389 4.5099 0.00000
390 4.5101 0.00000
391 4.5569 0.00000
392 4.5574 0.00000
393 4.6285 0.00000
394 4.6293 0.00000
395 4.7179 0.00000
396 4.7190 0.00000
397 4.7962 0.00000
398 4.7978 0.00000
399 4.8353 0.00000
400 4.8359 0.00000
401 4.9363 0.00000
402 4.9369 0.00000
403 5.0016 0.00000
404 5.0033 0.00000
405 5.1332 0.00000
406 5.1338 0.00000
407 5.2104 0.00000
408 5.2109 0.00000
409 5.2378 0.00000
410 5.2387 0.00000
411 5.4210 0.00000
412 5.4219 0.00000
413 5.4251 0.00000
414 5.4253 0.00000
415 5.6726 0.00000
416 5.6732 0.00000
417 5.7347 0.00000
418 5.7350 0.00000
419 5.8109 0.00000
420 5.8110 0.00000
421 5.9399 0.00000
422 5.9410 0.00000
423 5.9888 0.00000
424 5.9928 0.00000
425 6.0485 0.00000
426 6.0486 0.00000
427 6.3768 0.00000
428 6.3769 0.00000
429 6.3916 0.00000
430 6.3924 0.00000
431 6.4454 0.00000
432 6.4454 0.00000
433 6.5797 0.00000
434 6.5800 0.00000
435 6.5976 0.00000
436 6.5985 0.00000
437 6.9647 0.00000
438 6.9648 0.00000
439 7.0078 0.00000
440 7.0083 0.00000
441 7.0605 0.00000
442 7.0607 0.00000
443 7.0991 0.00000
444 7.1015 0.00000
445 7.2381 0.00000
446 7.2388 0.00000
447 7.4478 0.00000
448 7.4480 0.00000
449 7.4736 0.00000
450 7.4738 0.00000
451 7.5276 0.00000
452 7.5278 0.00000
453 7.5504 0.00000
454 7.5509 0.00000
455 7.6866 0.00000
456 7.6877 0.00000
457 7.8964 0.00000
458 7.8973 0.00000
459 8.0150 0.00000
460 8.0151 0.00000
461 8.1291 0.00000
462 8.1295 0.00000
463 8.2351 0.00000
464 8.2384 0.00000
465 8.2886 0.00000
466 8.2942 0.00000
467 8.3059 0.00000
468 8.4356 0.00000
469 8.4753 0.00000
470 8.5641 0.00000
471 8.5700 0.00000
472 8.6424 0.00000
473 8.7475 0.00000
474 8.7638 0.00000
475 8.7679 0.00000
476 8.8164 0.00000
477 8.8328 0.00000
478 8.9487 0.00000
479 8.9536 0.00000
480 9.1227 0.00000
k-point 8 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 -76.3978 1.00000
2 -76.3978 1.00000
3 -76.3968 1.00000
4 -76.3968 1.00000
5 -76.3925 1.00000
6 -76.3925 1.00000
7 -76.3911 1.00000
8 -76.3911 1.00000
9 -40.7474 1.00000
10 -40.7474 1.00000
11 -40.7463 1.00000
12 -40.7463 1.00000
13 -40.7422 1.00000
14 -40.7422 1.00000
15 -40.7416 1.00000
16 -40.7416 1.00000
17 -40.7258 1.00000
18 -40.7258 1.00000
19 -40.7204 1.00000
20 -40.7204 1.00000
21 -40.7167 1.00000
22 -40.7167 1.00000
23 -40.7114 1.00000
24 -40.7114 1.00000
25 -40.6652 1.00000
26 -40.6652 1.00000
27 -40.6582 1.00000
28 -40.6582 1.00000
29 -40.6569 1.00000
30 -40.6569 1.00000
31 -40.6500 1.00000
32 -40.6500 1.00000
33 -24.0104 1.00000
34 -24.0104 1.00000
35 -24.0053 1.00000
36 -24.0053 1.00000
37 -23.9970 1.00000
38 -23.9970 1.00000
39 -23.9968 1.00000
40 -23.9968 1.00000
41 -23.9957 1.00000
42 -23.9957 1.00000
43 -23.9902 1.00000
44 -23.9902 1.00000
45 -23.9816 1.00000
46 -23.9816 1.00000
47 -23.9782 1.00000
48 -23.9782 1.00000
49 -23.8664 1.00000
50 -23.8664 1.00000
51 -23.8611 1.00000
52 -23.8611 1.00000
53 -23.8463 1.00000
54 -23.8463 1.00000
55 -23.8407 1.00000
56 -23.8407 1.00000
57 -23.7874 1.00000
58 -23.7874 1.00000
59 -23.7863 1.00000
60 -23.7863 1.00000
61 -23.7849 1.00000
62 -23.7849 1.00000
63 -23.7808 1.00000
64 -23.7808 1.00000
65 -23.7722 1.00000
66 -23.7722 1.00000
67 -23.7687 1.00000
68 -23.7687 1.00000
69 -23.7652 1.00000
70 -23.7652 1.00000
71 -23.7643 1.00000
72 -23.7643 1.00000
73 -23.7454 1.00000
74 -23.7454 1.00000
75 -23.7435 1.00000
76 -23.7435 1.00000
77 -23.7241 1.00000
78 -23.7241 1.00000
79 -23.7210 1.00000
80 -23.7210 1.00000
81 -23.7187 1.00000
82 -23.7187 1.00000
83 -23.7177 1.00000
84 -23.7177 1.00000
85 -23.7123 1.00000
86 -23.7123 1.00000
87 -23.7067 1.00000
88 -23.7067 1.00000
89 -23.7035 1.00000
90 -23.7035 1.00000
91 -23.7022 1.00000
92 -23.7022 1.00000
93 -23.6971 1.00000
94 -23.6971 1.00000
95 -23.6966 1.00000
96 -23.6966 1.00000
97 -23.6287 1.00000
98 -23.6287 1.00000
99 -23.6282 1.00000
100 -23.6282 1.00000
101 -23.6172 1.00000
102 -23.6172 1.00000
103 -23.6154 1.00000
104 -23.6154 1.00000
105 -23.5923 1.00000
106 -23.5923 1.00000
107 -23.5880 1.00000
108 -23.5880 1.00000
109 -23.5804 1.00000
110 -23.5804 1.00000
111 -23.5734 1.00000
112 -23.5734 1.00000
113 -20.1445 1.00000
114 -20.1445 1.00000
115 -19.8480 1.00000
116 -19.8480 1.00000
117 -19.6516 1.00000
118 -19.6516 1.00000
119 -19.4452 1.00000
120 -19.4452 1.00000
121 -19.2890 1.00000
122 -19.2890 1.00000
123 -19.2635 1.00000
124 -19.2635 1.00000
125 -19.2523 1.00000
126 -19.2523 1.00000
127 -19.1859 1.00000
128 -19.1859 1.00000
129 -18.9009 1.00000
130 -18.9009 1.00000
131 -18.8693 1.00000
132 -18.8693 1.00000
133 -18.8128 1.00000
134 -18.8128 1.00000
135 -18.6745 1.00000
136 -18.6745 1.00000
137 -18.6214 1.00000
138 -18.6214 1.00000
139 -18.5620 1.00000
140 -18.5620 1.00000
141 -18.5263 1.00000
142 -18.5263 1.00000
143 -18.5155 1.00000
144 -18.5155 1.00000
145 -18.2757 1.00000
146 -18.2757 1.00000
147 -18.2733 1.00000
148 -18.2733 1.00000
149 -18.2654 1.00000
150 -18.2654 1.00000
151 -18.2414 1.00000
152 -18.2414 1.00000
153 -17.7677 1.00000
154 -17.7677 1.00000
155 -17.7471 1.00000
156 -17.7471 1.00000
157 -17.7172 1.00000
158 -17.7172 1.00000
159 -17.7166 1.00000
160 -17.7166 1.00000
161 -11.5578 1.00000
162 -11.5578 1.00000
163 -11.5301 1.00000
164 -11.5301 1.00000
165 -11.3470 1.00000
166 -11.3470 1.00000
167 -11.3094 1.00000
168 -11.3094 1.00000
169 -10.3681 1.00000
170 -10.3681 1.00000
171 -10.3392 1.00000
172 -10.3392 1.00000
173 -10.2345 1.00000
174 -10.2345 1.00000
175 -10.2285 1.00000
176 -10.2285 1.00000
177 -7.3243 1.00000
178 -7.3243 1.00000
179 -7.2881 1.00000
180 -7.2881 1.00000
181 -7.1791 1.00000
182 -7.1791 1.00000
183 -7.1145 1.00000
184 -7.1145 1.00000
185 -7.0513 1.00000
186 -7.0513 1.00000
187 -6.9698 1.00000
188 -6.9698 1.00000
189 -6.9383 1.00000
190 -6.9383 1.00000
191 -6.8491 1.00000
192 -6.8491 1.00000
193 -6.5739 1.00000
194 -6.5739 1.00000
195 -6.4194 1.00000
196 -6.4194 1.00000
197 -6.2733 1.00000
198 -6.2733 1.00000
199 -6.2222 1.00000
200 -6.2222 1.00000
201 -6.2001 1.00000
202 -6.2001 1.00000
203 -6.1552 1.00000
204 -6.1552 1.00000
205 -6.1216 1.00000
206 -6.1216 1.00000
207 -6.0283 1.00000
208 -6.0283 1.00000
209 -6.0040 1.00000
210 -6.0040 1.00000
211 -5.8240 1.00000
212 -5.8240 1.00000
213 -5.7802 1.00000
214 -5.7802 1.00000
215 -5.7386 1.00000
216 -5.7386 1.00000
217 -5.7245 1.00000
218 -5.7245 1.00000
219 -5.5626 1.00000
220 -5.5626 1.00000
221 -5.4697 1.00000
222 -5.4697 1.00000
223 -5.4189 1.00000
224 -5.4189 1.00000
225 -5.3217 1.00000
226 -5.3217 1.00000
227 -4.9689 1.00000
228 -4.9689 1.00000
229 -4.8949 1.00000
230 -4.8949 1.00000
231 -4.8603 1.00000
232 -4.8603 1.00000
233 -4.7890 1.00000
234 -4.7890 1.00000
235 -4.7595 1.00000
236 -4.7595 1.00000
237 -4.6601 1.00000
238 -4.6601 1.00000
239 -4.6447 1.00000
240 -4.6447 1.00000
241 -4.4807 1.00000
242 -4.4807 1.00000
243 -4.3746 1.00000
244 -4.3746 1.00000
245 -4.2987 1.00000
246 -4.2987 1.00000
247 -4.1787 1.00000
248 -4.1787 1.00000
249 -4.1133 1.00000
250 -4.1133 1.00000
251 -4.0501 1.00000
252 -4.0501 1.00000
253 -3.9251 1.00000
254 -3.9251 1.00000
255 -3.9202 1.00000
256 -3.9202 1.00000
257 -3.8480 1.00000
258 -3.8480 1.00000
259 -3.7794 1.00000
260 -3.7794 1.00000
261 -3.7108 1.00000
262 -3.7108 1.00000
263 -3.6568 1.00000
264 -3.6568 1.00000
265 -3.6297 1.00000
266 -3.6297 1.00000
267 -3.5448 1.00000
268 -3.5448 1.00000
269 -3.4804 1.00000
270 -3.4804 1.00000
271 -3.3755 1.00000
272 -3.3755 1.00000
273 -3.3368 1.00000
274 -3.3368 1.00000
275 -3.2697 1.00000
276 -3.2697 1.00000
277 -3.1903 1.00000
278 -3.1903 1.00000
279 -3.1297 1.00000
280 -3.1297 1.00000
281 -3.1082 1.00000
282 -3.1082 1.00000
283 -3.0490 1.00000
284 -3.0490 1.00000
285 -3.0460 1.00000
286 -3.0460 1.00000
287 -2.8668 1.00000
288 -2.8668 1.00000
289 -2.8320 1.00000
290 -2.8320 1.00000
291 -2.8280 1.00000
292 -2.8280 1.00000
293 -2.8239 1.00000
294 -2.8239 1.00000
295 -2.7624 1.00000
296 -2.7624 1.00000
297 -2.6746 1.00000
298 -2.6746 1.00000
299 -2.6350 1.00000
300 -2.6350 1.00000
301 -2.5618 1.00000
302 -2.5618 1.00000
303 -2.5424 1.00000
304 -2.5424 1.00000
305 -2.5016 1.00000
306 -2.5016 1.00000
307 -2.4515 1.00000
308 -2.4515 1.00000
309 -2.2676 1.00000
310 -2.2676 1.00000
311 -2.2488 1.00000
312 -2.2488 1.00000
313 -2.2187 1.00000
314 -2.2187 1.00000
315 -2.2119 1.00000
316 -2.2119 1.00000
317 -2.1531 1.00000
318 -2.1531 1.00000
319 -2.1344 1.00000
320 -2.1344 1.00000
321 0.8336 0.00000
322 0.8336 0.00000
323 0.8602 0.00000
324 0.8602 0.00000
325 0.9857 0.00000
326 0.9857 0.00000
327 1.1171 0.00000
328 1.1171 0.00000
329 1.2586 0.00000
330 1.2586 0.00000
331 1.4248 0.00000
332 1.4248 0.00000
333 1.4344 0.00000
334 1.4344 0.00000
335 1.5035 0.00000
336 1.5035 0.00000
337 1.6063 0.00000
338 1.6063 0.00000
339 1.6157 0.00000
340 1.6157 0.00000
341 1.9175 0.00000
342 1.9175 0.00000
343 2.0047 0.00000
344 2.0047 0.00000
345 2.0146 0.00000
346 2.0146 0.00000
347 2.1220 0.00000
348 2.1220 0.00000
349 2.1669 0.00000
350 2.1669 0.00000
351 2.2469 0.00000
352 2.2469 0.00000
353 2.5355 0.00000
354 2.5355 0.00000
355 2.7426 0.00000
356 2.7426 0.00000
357 2.8829 0.00000
358 2.8829 0.00000
359 2.8882 0.00000
360 2.8882 0.00000
361 2.8921 0.00000
362 2.8921 0.00000
363 3.0280 0.00000
364 3.0280 0.00000
365 3.1492 0.00000
366 3.1492 0.00000
367 3.3294 0.00000
368 3.3294 0.00000
369 3.5369 0.00000
370 3.5369 0.00000
371 3.6690 0.00000
372 3.6690 0.00000
373 3.7423 0.00000
374 3.7423 0.00000
375 3.7521 0.00000
376 3.7521 0.00000
377 3.9005 0.00000
378 3.9005 0.00000
379 3.9901 0.00000
380 3.9901 0.00000
381 4.1306 0.00000
382 4.1306 0.00000
383 4.2679 0.00000
384 4.2679 0.00000
385 4.3224 0.00000
386 4.3224 0.00000
387 4.3427 0.00000
388 4.3427 0.00000
389 4.4309 0.00000
390 4.4309 0.00000
391 4.6915 0.00000
392 4.6915 0.00000
393 4.6983 0.00000
394 4.6983 0.00000
395 4.7370 0.00000
396 4.7370 0.00000
397 4.9590 0.00000
398 4.9590 0.00000
399 5.0192 0.00000
400 5.0192 0.00000
401 5.0282 0.00000
402 5.0282 0.00000
403 5.0688 0.00000
404 5.0688 0.00000
405 5.2033 0.00000
406 5.2033 0.00000
407 5.2051 0.00000
408 5.2051 0.00000
409 5.2391 0.00000
410 5.2392 0.00000
411 5.2855 0.00000
412 5.2855 0.00000
413 5.5149 0.00000
414 5.5149 0.00000
415 5.5167 0.00000
416 5.5167 0.00000
417 5.6559 0.00000
418 5.6559 0.00000
419 5.7508 0.00000
420 5.7508 0.00000
421 5.8155 0.00000
422 5.8155 0.00000
423 5.8390 0.00000
424 5.8390 0.00000
425 6.0440 0.00000
426 6.0440 0.00000
427 6.0463 0.00000
428 6.0464 0.00000
429 6.3952 0.00000
430 6.3952 0.00000
431 6.4441 0.00000
432 6.4442 0.00000
433 6.4824 0.00000
434 6.4824 0.00000
435 6.8298 0.00000
436 6.8299 0.00000
437 6.8573 0.00000
438 6.8573 0.00000
439 7.0821 0.00000
440 7.0821 0.00000
441 7.1156 0.00000
442 7.1156 0.00000
443 7.2000 0.00000
444 7.2002 0.00000
445 7.2288 0.00000
446 7.2288 0.00000
447 7.4692 0.00000
448 7.4696 0.00000
449 7.5163 0.00000
450 7.5170 0.00000
451 7.7648 0.00000
452 7.7665 0.00000
453 7.8649 0.00000
454 7.8653 0.00000
455 7.8717 0.00000
456 7.8734 0.00000
457 7.9277 0.00000
458 7.9477 0.00000
459 8.0356 0.00000
460 8.0796 0.00000
461 8.0951 0.00000
462 8.1720 0.00000
463 8.1724 0.00000
464 8.1765 0.00000
465 8.3483 0.00000
466 8.3673 0.00000
467 8.3684 0.00000
468 8.4497 0.00000
469 8.5082 0.00000
470 8.5243 0.00000
471 8.5417 0.00000
472 8.8540 0.00000
473 8.8542 0.00000
474 8.8750 0.00000
475 8.8889 0.00000
476 9.2107 0.00000
477 9.2278 0.00000
478 9.2873 0.00000
479 9.3831 0.00000
480 9.3871 0.00000
k-point 9 : 0.2500 0.5000 0.0000
band No. band energies occupation
1 -76.3978 1.00000
2 -76.3978 1.00000
3 -76.3968 1.00000
4 -76.3968 1.00000
5 -76.3925 1.00000
6 -76.3925 1.00000
7 -76.3911 1.00000
8 -76.3911 1.00000
9 -40.7484 1.00000
10 -40.7483 1.00000
11 -40.7472 1.00000
12 -40.7471 1.00000
13 -40.7413 1.00000
14 -40.7410 1.00000
15 -40.7401 1.00000
16 -40.7399 1.00000
17 -40.7261 1.00000
18 -40.7260 1.00000
19 -40.7218 1.00000
20 -40.7216 1.00000
21 -40.7161 1.00000
22 -40.7160 1.00000
23 -40.7114 1.00000
24 -40.7114 1.00000
25 -40.6652 1.00000
26 -40.6652 1.00000
27 -40.6585 1.00000
28 -40.6584 1.00000
29 -40.6566 1.00000
30 -40.6566 1.00000
31 -40.6500 1.00000
32 -40.6500 1.00000
33 -24.0105 1.00000
34 -24.0104 1.00000
35 -24.0070 1.00000
36 -24.0070 1.00000
37 -23.9968 1.00000
38 -23.9968 1.00000
39 -23.9959 1.00000
40 -23.9958 1.00000
41 -23.9948 1.00000
42 -23.9948 1.00000
43 -23.9921 1.00000
44 -23.9921 1.00000
45 -23.9803 1.00000
46 -23.9803 1.00000
47 -23.9773 1.00000
48 -23.9773 1.00000
49 -23.8658 1.00000
50 -23.8658 1.00000
51 -23.8621 1.00000
52 -23.8621 1.00000
53 -23.8461 1.00000
54 -23.8461 1.00000
55 -23.8415 1.00000
56 -23.8415 1.00000
57 -23.7875 1.00000
58 -23.7874 1.00000
59 -23.7869 1.00000
60 -23.7866 1.00000
61 -23.7842 1.00000
62 -23.7839 1.00000
63 -23.7814 1.00000
64 -23.7813 1.00000
65 -23.7717 1.00000
66 -23.7716 1.00000
67 -23.7693 1.00000
68 -23.7691 1.00000
69 -23.7653 1.00000
70 -23.7652 1.00000
71 -23.7642 1.00000
72 -23.7642 1.00000
73 -23.7451 1.00000
74 -23.7451 1.00000
75 -23.7438 1.00000
76 -23.7437 1.00000
77 -23.7236 1.00000
78 -23.7236 1.00000
79 -23.7206 1.00000
80 -23.7205 1.00000
81 -23.7190 1.00000
82 -23.7189 1.00000
83 -23.7188 1.00000
84 -23.7187 1.00000
85 -23.7113 1.00000
86 -23.7113 1.00000
87 -23.7071 1.00000
88 -23.7071 1.00000
89 -23.7026 1.00000
90 -23.7026 1.00000
91 -23.7015 1.00000
92 -23.7014 1.00000
93 -23.6979 1.00000
94 -23.6978 1.00000
95 -23.6974 1.00000
96 -23.6974 1.00000
97 -23.6273 1.00000
98 -23.6273 1.00000
99 -23.6269 1.00000
100 -23.6269 1.00000
101 -23.6194 1.00000
102 -23.6194 1.00000
103 -23.6180 1.00000
104 -23.6180 1.00000
105 -23.5900 1.00000
106 -23.5900 1.00000
107 -23.5852 1.00000
108 -23.5852 1.00000
109 -23.5818 1.00000
110 -23.5818 1.00000
111 -23.5750 1.00000
112 -23.5750 1.00000
113 -20.1164 1.00000
114 -20.1163 1.00000
115 -19.9246 1.00000
116 -19.9241 1.00000
117 -19.5861 1.00000
118 -19.5852 1.00000
119 -19.4584 1.00000
120 -19.4577 1.00000
121 -19.2843 1.00000
122 -19.2840 1.00000
123 -19.2628 1.00000
124 -19.2628 1.00000
125 -19.2548 1.00000
126 -19.2548 1.00000
127 -19.1945 1.00000
128 -19.1944 1.00000
129 -18.8972 1.00000
130 -18.8966 1.00000
131 -18.8393 1.00000
132 -18.8390 1.00000
133 -18.8248 1.00000
134 -18.8247 1.00000
135 -18.7197 1.00000
136 -18.7196 1.00000
137 -18.5939 1.00000
138 -18.5937 1.00000
139 -18.5578 1.00000
140 -18.5578 1.00000
141 -18.5317 1.00000
142 -18.5315 1.00000
143 -18.5203 1.00000
144 -18.5201 1.00000
145 -18.2730 1.00000
146 -18.2729 1.00000
147 -18.2712 1.00000
148 -18.2710 1.00000
149 -18.2648 1.00000
150 -18.2644 1.00000
151 -18.2460 1.00000
152 -18.2459 1.00000
153 -17.7643 1.00000
154 -17.7642 1.00000
155 -17.7496 1.00000
156 -17.7496 1.00000
157 -17.7175 1.00000
158 -17.7175 1.00000
159 -17.7169 1.00000
160 -17.7169 1.00000
161 -11.5260 1.00000
162 -11.5260 1.00000
163 -11.5042 1.00000
164 -11.5042 1.00000
165 -11.3766 1.00000
166 -11.3766 1.00000
167 -11.3495 1.00000
168 -11.3495 1.00000
169 -10.3607 1.00000
170 -10.3606 1.00000
171 -10.3387 1.00000
172 -10.3386 1.00000
173 -10.2327 1.00000
174 -10.2326 1.00000
175 -10.2280 1.00000
176 -10.2279 1.00000
177 -7.3522 1.00000
178 -7.3512 1.00000
179 -7.3453 1.00000
180 -7.3446 1.00000
181 -7.0743 1.00000
182 -7.0739 1.00000
183 -7.0714 1.00000
184 -7.0709 1.00000
185 -7.0190 1.00000
186 -7.0181 1.00000
187 -7.0123 1.00000
188 -7.0122 1.00000
189 -6.8418 1.00000
190 -6.8416 1.00000
191 -6.8341 1.00000
192 -6.8329 1.00000
193 -6.6118 1.00000
194 -6.6108 1.00000
195 -6.5224 1.00000
196 -6.5222 1.00000
197 -6.3842 1.00000
198 -6.3833 1.00000
199 -6.2667 1.00000
200 -6.2661 1.00000
201 -6.1741 1.00000
202 -6.1737 1.00000
203 -6.1409 1.00000
204 -6.1408 1.00000
205 -6.1210 1.00000
206 -6.1206 1.00000
207 -6.0574 1.00000
208 -6.0565 1.00000
209 -5.9586 1.00000
210 -5.9586 1.00000
211 -5.8203 1.00000
212 -5.8199 1.00000
213 -5.7897 1.00000
214 -5.7896 1.00000
215 -5.7409 1.00000
216 -5.7408 1.00000
217 -5.7232 1.00000
218 -5.7225 1.00000
219 -5.6120 1.00000
220 -5.6119 1.00000
221 -5.4242 1.00000
222 -5.4230 1.00000
223 -5.3879 1.00000
224 -5.3868 1.00000
225 -5.2180 1.00000
226 -5.2179 1.00000
227 -5.0521 1.00000
228 -5.0520 1.00000
229 -4.9866 1.00000
230 -4.9863 1.00000
231 -4.8419 1.00000
232 -4.8419 1.00000
233 -4.7610 1.00000
234 -4.7607 1.00000
235 -4.7446 1.00000
236 -4.7441 1.00000
237 -4.6445 1.00000
238 -4.6439 1.00000
239 -4.5721 1.00000
240 -4.5719 1.00000
241 -4.4182 1.00000
242 -4.4180 1.00000
243 -4.4142 1.00000
244 -4.4139 1.00000
245 -4.2605 1.00000
246 -4.2604 1.00000
247 -4.2538 1.00000
248 -4.2535 1.00000
249 -4.0963 1.00000
250 -4.0957 1.00000
251 -4.0681 1.00000
252 -4.0681 1.00000
253 -4.0280 1.00000
254 -4.0277 1.00000
255 -3.9398 1.00000
256 -3.9398 1.00000
257 -3.8765 1.00000
258 -3.8762 1.00000
259 -3.7411 1.00000
260 -3.7408 1.00000
261 -3.6377 1.00000
262 -3.6376 1.00000
263 -3.5830 1.00000
264 -3.5830 1.00000
265 -3.5603 1.00000
266 -3.5601 1.00000
267 -3.5182 1.00000
268 -3.5181 1.00000
269 -3.4247 1.00000
270 -3.4242 1.00000
271 -3.3811 1.00000
272 -3.3810 1.00000
273 -3.3206 1.00000
274 -3.3204 1.00000
275 -3.2965 1.00000
276 -3.2960 1.00000
277 -3.1779 1.00000
278 -3.1777 1.00000
279 -3.1544 1.00000
280 -3.1542 1.00000
281 -3.1350 1.00000
282 -3.1346 1.00000
283 -3.0547 1.00000
284 -3.0545 1.00000
285 -3.0412 1.00000
286 -3.0409 1.00000
287 -2.9030 1.00000
288 -2.9027 1.00000
289 -2.8860 1.00000
290 -2.8858 1.00000
291 -2.8266 1.00000
292 -2.8264 1.00000
293 -2.8124 1.00000
294 -2.8122 1.00000
295 -2.7419 1.00000
296 -2.7416 1.00000
297 -2.6727 1.00000
298 -2.6726 1.00000
299 -2.6039 1.00000
300 -2.6036 1.00000
301 -2.5900 1.00000
302 -2.5898 1.00000
303 -2.5628 1.00000
304 -2.5625 1.00000
305 -2.5613 1.00000
306 -2.5611 1.00000
307 -2.4405 1.00000
308 -2.4404 1.00000
309 -2.3596 1.00000
310 -2.3595 1.00000
311 -2.2770 1.00000
312 -2.2767 1.00000
313 -2.2237 1.00000
314 -2.2234 1.00000
315 -2.1877 1.00000
316 -2.1876 1.00000
317 -2.1690 1.00000
318 -2.1688 1.00000
319 -2.0900 1.00000
320 -2.0897 1.00000
321 0.8678 0.00000
322 0.8679 0.00000
323 0.8791 0.00000
324 0.8791 0.00000
325 1.0359 0.00000
326 1.0361 0.00000
327 1.1210 0.00000
328 1.1210 0.00000
329 1.2545 0.00000
330 1.2546 0.00000
331 1.3537 0.00000
332 1.3538 0.00000
333 1.4458 0.00000
334 1.4459 0.00000
335 1.5530 0.00000
336 1.5530 0.00000
337 1.6335 0.00000
338 1.6335 0.00000
339 1.6480 0.00000
340 1.6483 0.00000
341 1.8016 0.00000
342 1.8017 0.00000
343 1.9535 0.00000
344 1.9536 0.00000
345 2.0082 0.00000
346 2.0085 0.00000
347 2.1082 0.00000
348 2.1084 0.00000
349 2.1220 0.00000
350 2.1221 0.00000
351 2.2873 0.00000
352 2.2876 0.00000
353 2.6323 0.00000
354 2.6323 0.00000
355 2.6485 0.00000
356 2.6486 0.00000
357 2.7357 0.00000
358 2.7362 0.00000
359 2.8171 0.00000
360 2.8171 0.00000
361 2.9531 0.00000
362 2.9534 0.00000
363 3.1342 0.00000
364 3.1346 0.00000
365 3.3200 0.00000
366 3.3203 0.00000
367 3.4077 0.00000
368 3.4080 0.00000
369 3.5809 0.00000
370 3.5811 0.00000
371 3.6524 0.00000
372 3.6532 0.00000
373 3.6976 0.00000
374 3.6980 0.00000
375 3.8506 0.00000
376 3.8509 0.00000
377 3.9297 0.00000
378 3.9300 0.00000
379 4.0011 0.00000
380 4.0015 0.00000
381 4.0304 0.00000
382 4.0308 0.00000
383 4.1825 0.00000
384 4.1829 0.00000
385 4.3986 0.00000
386 4.3988 0.00000
387 4.4312 0.00000
388 4.4314 0.00000
389 4.4656 0.00000
390 4.4659 0.00000
391 4.5246 0.00000
392 4.5248 0.00000
393 4.6403 0.00000
394 4.6405 0.00000
395 4.7499 0.00000
396 4.7499 0.00000
397 4.7611 0.00000
398 4.7616 0.00000
399 4.8597 0.00000
400 4.8601 0.00000
401 4.9207 0.00000
402 4.9210 0.00000
403 5.0399 0.00000
404 5.0401 0.00000
405 5.1437 0.00000
406 5.1437 0.00000
407 5.2377 0.00000
408 5.2381 0.00000
409 5.2752 0.00000
410 5.2753 0.00000
411 5.4076 0.00000
412 5.4078 0.00000
413 5.4333 0.00000
414 5.4337 0.00000
415 5.6746 0.00000
416 5.6747 0.00000
417 5.8096 0.00000
418 5.8097 0.00000
419 5.8182 0.00000
420 5.8182 0.00000
421 5.9040 0.00000
422 5.9042 0.00000
423 5.9935 0.00000
424 5.9936 0.00000
425 6.0551 0.00000
426 6.0553 0.00000
427 6.3725 0.00000
428 6.3726 0.00000
429 6.4361 0.00000
430 6.4362 0.00000
431 6.4874 0.00000
432 6.4874 0.00000
433 6.5497 0.00000
434 6.5497 0.00000
435 6.5907 0.00000
436 6.5908 0.00000
437 6.9034 0.00000
438 6.9035 0.00000
439 6.9823 0.00000
440 6.9825 0.00000
441 7.0924 0.00000
442 7.0925 0.00000
443 7.1302 0.00000
444 7.1302 0.00000
445 7.2291 0.00000
446 7.2291 0.00000
447 7.4103 0.00000
448 7.4104 0.00000
449 7.4619 0.00000
450 7.4619 0.00000
451 7.5757 0.00000
452 7.5758 0.00000
453 7.6038 0.00000
454 7.6038 0.00000
455 7.6632 0.00000
456 7.6634 0.00000
457 7.9333 0.00000
458 7.9377 0.00000
459 8.0062 0.00000
460 8.0064 0.00000
461 8.1164 0.00000
462 8.1165 0.00000
463 8.2129 0.00000
464 8.2162 0.00000
465 8.3336 0.00000
466 8.3399 0.00000
467 8.3404 0.00000
468 8.3434 0.00000
469 8.4965 0.00000
470 8.4992 0.00000
471 8.5714 0.00000
472 8.5798 0.00000
473 8.6218 0.00000
474 8.6727 0.00000
475 8.6872 0.00000
476 8.7011 0.00000
477 8.8870 0.00000
478 8.9268 0.00000
479 8.9541 0.00000
480 8.9839 0.00000
k-point 10 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 -76.3978 1.00000
2 -76.3978 1.00000
3 -76.3968 1.00000
4 -76.3968 1.00000
5 -76.3925 1.00000
6 -76.3925 1.00000
7 -76.3911 1.00000
8 -76.3911 1.00000
9 -40.7489 1.00000
10 -40.7489 1.00000
11 -40.7479 1.00000
12 -40.7479 1.00000
13 -40.7396 1.00000
14 -40.7396 1.00000
15 -40.7392 1.00000
16 -40.7392 1.00000
17 -40.7261 1.00000
18 -40.7261 1.00000
19 -40.7230 1.00000
20 -40.7230 1.00000
21 -40.7156 1.00000
22 -40.7156 1.00000
23 -40.7114 1.00000
24 -40.7114 1.00000
25 -40.6652 1.00000
26 -40.6652 1.00000
27 -40.6586 1.00000
28 -40.6586 1.00000
29 -40.6564 1.00000
30 -40.6564 1.00000
31 -40.6499 1.00000
32 -40.6499 1.00000
33 -24.0096 1.00000
34 -24.0096 1.00000
35 -24.0093 1.00000
36 -24.0093 1.00000
37 -23.9963 1.00000
38 -23.9963 1.00000
39 -23.9947 1.00000
40 -23.9947 1.00000
41 -23.9943 1.00000
42 -23.9943 1.00000
43 -23.9940 1.00000
44 -23.9940 1.00000
45 -23.9792 1.00000
46 -23.9792 1.00000
47 -23.9766 1.00000
48 -23.9766 1.00000
49 -23.8644 1.00000
50 -23.8644 1.00000
51 -23.8639 1.00000
52 -23.8639 1.00000
53 -23.8457 1.00000
54 -23.8457 1.00000
55 -23.8424 1.00000
56 -23.8424 1.00000
57 -23.7874 1.00000
58 -23.7874 1.00000
59 -23.7870 1.00000
60 -23.7870 1.00000
61 -23.7827 1.00000
62 -23.7827 1.00000
63 -23.7824 1.00000
64 -23.7824 1.00000
65 -23.7709 1.00000
66 -23.7709 1.00000
67 -23.7699 1.00000
68 -23.7699 1.00000
69 -23.7652 1.00000
70 -23.7652 1.00000
71 -23.7641 1.00000
72 -23.7641 1.00000
73 -23.7445 1.00000
74 -23.7445 1.00000
75 -23.7441 1.00000
76 -23.7441 1.00000
77 -23.7227 1.00000
78 -23.7227 1.00000
79 -23.7201 1.00000
80 -23.7201 1.00000
81 -23.7198 1.00000
82 -23.7198 1.00000
83 -23.7194 1.00000
84 -23.7194 1.00000
85 -23.7102 1.00000
86 -23.7102 1.00000
87 -23.7076 1.00000
88 -23.7076 1.00000
89 -23.7014 1.00000
90 -23.7014 1.00000
91 -23.6998 1.00000
92 -23.6998 1.00000
93 -23.6994 1.00000
94 -23.6994 1.00000
95 -23.6986 1.00000
96 -23.6986 1.00000
97 -23.6245 1.00000
98 -23.6245 1.00000
99 -23.6238 1.00000
100 -23.6238 1.00000
101 -23.6234 1.00000
102 -23.6234 1.00000
103 -23.6218 1.00000
104 -23.6218 1.00000
105 -23.5857 1.00000
106 -23.5857 1.00000
107 -23.5854 1.00000
108 -23.5854 1.00000
109 -23.5810 1.00000
110 -23.5810 1.00000
111 -23.5783 1.00000
112 -23.5783 1.00000
113 -20.0403 1.00000
114 -20.0403 1.00000
115 -20.0325 1.00000
116 -20.0325 1.00000
117 -19.5050 1.00000
118 -19.5050 1.00000
119 -19.5012 1.00000
120 -19.5012 1.00000
121 -19.2821 1.00000
122 -19.2821 1.00000
123 -19.2715 1.00000
124 -19.2715 1.00000
125 -19.2252 1.00000
126 -19.2252 1.00000
127 -19.2240 1.00000
128 -19.2240 1.00000
129 -18.8617 1.00000
130 -18.8617 1.00000
131 -18.8596 1.00000
132 -18.8596 1.00000
133 -18.7858 1.00000
134 -18.7858 1.00000
135 -18.7843 1.00000
136 -18.7843 1.00000
137 -18.5661 1.00000
138 -18.5661 1.00000
139 -18.5629 1.00000
140 -18.5629 1.00000
141 -18.5316 1.00000
142 -18.5316 1.00000
143 -18.5313 1.00000
144 -18.5313 1.00000
145 -18.2714 1.00000
146 -18.2714 1.00000
147 -18.2671 1.00000
148 -18.2671 1.00000
149 -18.2589 1.00000
150 -18.2589 1.00000
151 -18.2558 1.00000
152 -18.2558 1.00000
153 -17.7576 1.00000
154 -17.7576 1.00000
155 -17.7551 1.00000
156 -17.7551 1.00000
157 -17.7177 1.00000
158 -17.7177 1.00000
159 -17.7171 1.00000
160 -17.7171 1.00000
161 -11.4489 1.00000
162 -11.4489 1.00000
163 -11.4476 1.00000
164 -11.4476 1.00000
165 -11.4368 1.00000
166 -11.4368 1.00000
167 -11.4348 1.00000
168 -11.4348 1.00000
169 -10.3481 1.00000
170 -10.3481 1.00000
171 -10.3436 1.00000
172 -10.3436 1.00000
173 -10.2292 1.00000
174 -10.2292 1.00000
175 -10.2288 1.00000
176 -10.2288 1.00000
177 -7.3724 1.00000
178 -7.3724 1.00000
179 -7.3678 1.00000
180 -7.3678 1.00000
181 -7.0644 1.00000
182 -7.0644 1.00000
183 -7.0616 1.00000
184 -7.0616 1.00000
185 -6.9660 1.00000
186 -6.9660 1.00000
187 -6.9620 1.00000
188 -6.9620 1.00000
189 -6.7518 1.00000
190 -6.7518 1.00000
191 -6.7489 1.00000
192 -6.7489 1.00000
193 -6.6208 1.00000
194 -6.6208 1.00000
195 -6.6194 1.00000
196 -6.6194 1.00000
197 -6.4684 1.00000
198 -6.4684 1.00000
199 -6.4673 1.00000
200 -6.4673 1.00000
201 -6.1301 1.00000
202 -6.1301 1.00000
203 -6.1293 1.00000
204 -6.1293 1.00000
205 -6.1161 1.00000
206 -6.1161 1.00000
207 -6.1145 1.00000
208 -6.1145 1.00000
209 -5.8905 1.00000
210 -5.8905 1.00000
211 -5.8896 1.00000
212 -5.8896 1.00000
213 -5.7797 1.00000
214 -5.7797 1.00000
215 -5.7781 1.00000
216 -5.7781 1.00000
217 -5.5711 1.00000
218 -5.5711 1.00000
219 -5.5691 1.00000
220 -5.5691 1.00000
221 -5.4459 1.00000
222 -5.4459 1.00000
223 -5.4444 1.00000
224 -5.4444 1.00000
225 -5.0837 1.00000
226 -5.0837 1.00000
227 -5.0820 1.00000
228 -5.0820 1.00000
229 -4.9597 1.00000
230 -4.9597 1.00000
231 -4.9584 1.00000
232 -4.9584 1.00000
233 -4.7943 1.00000
234 -4.7943 1.00000
235 -4.7930 1.00000
236 -4.7930 1.00000
237 -4.5581 1.00000
238 -4.5581 1.00000
239 -4.5566 1.00000
240 -4.5566 1.00000
241 -4.3867 1.00000
242 -4.3867 1.00000
243 -4.3855 1.00000
244 -4.3855 1.00000
245 -4.2780 1.00000
246 -4.2780 1.00000
247 -4.2761 1.00000
248 -4.2761 1.00000
249 -4.0824 1.00000
250 -4.0824 1.00000
251 -4.0811 1.00000
252 -4.0811 1.00000
253 -3.9902 1.00000
254 -3.9902 1.00000
255 -3.9889 1.00000
256 -3.9889 1.00000
257 -3.8122 1.00000
258 -3.8122 1.00000
259 -3.8116 1.00000
260 -3.8116 1.00000
261 -3.5803 1.00000
262 -3.5803 1.00000
263 -3.5768 1.00000
264 -3.5768 1.00000
265 -3.5192 1.00000
266 -3.5192 1.00000
267 -3.5181 1.00000
268 -3.5181 1.00000
269 -3.3884 1.00000
270 -3.3884 1.00000
271 -3.3874 1.00000
272 -3.3874 1.00000
273 -3.2697 1.00000
274 -3.2697 1.00000
275 -3.2683 1.00000
276 -3.2683 1.00000
277 -3.1836 1.00000
278 -3.1836 1.00000
279 -3.1790 1.00000
280 -3.1790 1.00000
281 -3.0762 1.00000
282 -3.0762 1.00000
283 -3.0755 1.00000
284 -3.0755 1.00000
285 -3.0019 1.00000
286 -3.0019 1.00000
287 -3.0006 1.00000
288 -3.0006 1.00000
289 -2.8779 1.00000
290 -2.8779 1.00000
291 -2.8771 1.00000
292 -2.8771 1.00000
293 -2.7870 1.00000
294 -2.7870 1.00000
295 -2.7864 1.00000
296 -2.7864 1.00000
297 -2.6618 1.00000
298 -2.6618 1.00000
299 -2.6610 1.00000
300 -2.6610 1.00000
301 -2.6009 1.00000
302 -2.6009 1.00000
303 -2.5987 1.00000
304 -2.5987 1.00000
305 -2.4880 1.00000
306 -2.4880 1.00000
307 -2.4875 1.00000
308 -2.4875 1.00000
309 -2.3698 1.00000
310 -2.3698 1.00000
311 -2.3687 1.00000
312 -2.3687 1.00000
313 -2.1733 1.00000
314 -2.1733 1.00000
315 -2.1703 1.00000
316 -2.1703 1.00000
317 -2.1401 1.00000
318 -2.1401 1.00000
319 -2.1386 1.00000
320 -2.1386 1.00000
321 0.9077 0.00000
322 0.9077 0.00000
323 0.9095 0.00000
324 0.9095 0.00000
325 1.1228 0.00000
326 1.1228 0.00000
327 1.1241 0.00000
328 1.1241 0.00000
329 1.2213 0.00000
330 1.2213 0.00000
331 1.2233 0.00000
332 1.2233 0.00000
333 1.5835 0.00000
334 1.5835 0.00000
335 1.5838 0.00000
336 1.5838 0.00000
337 1.6501 0.00000
338 1.6501 0.00000
339 1.6519 0.00000
340 1.6519 0.00000
341 1.7779 0.00000
342 1.7779 0.00000
343 1.7783 0.00000
344 1.7783 0.00000
345 2.0771 0.00000
346 2.0771 0.00000
347 2.0782 0.00000
348 2.0782 0.00000
349 2.1514 0.00000
350 2.1514 0.00000
351 2.1526 0.00000
352 2.1526 0.00000
353 2.6029 0.00000
354 2.6029 0.00000
355 2.6037 0.00000
356 2.6037 0.00000
357 2.7819 0.00000
358 2.7819 0.00000
359 2.7833 0.00000
360 2.7833 0.00000
361 3.1762 0.00000
362 3.1762 0.00000
363 3.1767 0.00000
364 3.1767 0.00000
365 3.3770 0.00000
366 3.3770 0.00000
367 3.3777 0.00000
368 3.3777 0.00000
369 3.5971 0.00000
370 3.5971 0.00000
371 3.5989 0.00000
372 3.5989 0.00000
373 3.7963 0.00000
374 3.7963 0.00000
375 3.7966 0.00000
376 3.7966 0.00000
377 3.9496 0.00000
378 3.9496 0.00000
379 3.9502 0.00000
380 3.9502 0.00000
381 4.2132 0.00000
382 4.2132 0.00000
383 4.2140 0.00000
384 4.2140 0.00000
385 4.3136 0.00000
386 4.3136 0.00000
387 4.3137 0.00000
388 4.3137 0.00000
389 4.4744 0.00000
390 4.4744 0.00000
391 4.4753 0.00000
392 4.4753 0.00000
393 4.6377 0.00000
394 4.6377 0.00000
395 4.6382 0.00000
396 4.6382 0.00000
397 4.8261 0.00000
398 4.8261 0.00000
399 4.8264 0.00000
400 4.8264 0.00000
401 4.9069 0.00000
402 4.9069 0.00000
403 4.9085 0.00000
404 4.9085 0.00000
405 5.0610 0.00000
406 5.0610 0.00000
407 5.0616 0.00000
408 5.0616 0.00000
409 5.3974 0.00000
410 5.3974 0.00000
411 5.3981 0.00000
412 5.3981 0.00000
413 5.5558 0.00000
414 5.5558 0.00000
415 5.5562 0.00000
416 5.5562 0.00000
417 5.9543 0.00000
418 5.9543 0.00000
419 5.9574 0.00000
420 5.9574 0.00000
421 6.0267 0.00000
422 6.0267 0.00000
423 6.0268 0.00000
424 6.0268 0.00000
425 6.4914 0.00000
426 6.4914 0.00000
427 6.4915 0.00000
428 6.4915 0.00000
429 6.5277 0.00000
430 6.5277 0.00000
431 6.5280 0.00000
432 6.5280 0.00000
433 6.7410 0.00000
434 6.7410 0.00000
435 6.7429 0.00000
436 6.7429 0.00000
437 6.7887 0.00000
438 6.7887 0.00000
439 6.7889 0.00000
440 6.7889 0.00000
441 6.8693 0.00000
442 6.8694 0.00000
443 6.8694 0.00000
444 6.8694 0.00000
445 7.2649 0.00000
446 7.2649 0.00000
447 7.2651 0.00000
448 7.2651 0.00000
449 7.3539 0.00000
450 7.3539 0.00000
451 7.3545 0.00000
452 7.3545 0.00000
453 7.4763 0.00000
454 7.4763 0.00000
455 7.4763 0.00000
456 7.4763 0.00000
457 8.0257 0.00000
458 8.0257 0.00000
459 8.0259 0.00000
460 8.0260 0.00000
461 8.2290 0.00000
462 8.2291 0.00000
463 8.2303 0.00000
464 8.2305 0.00000
465 8.3150 0.00000
466 8.3158 0.00000
467 8.3170 0.00000
468 8.3179 0.00000
469 8.4417 0.00000
470 8.4440 0.00000
471 8.4450 0.00000
472 8.4793 0.00000
473 8.6432 0.00000
474 8.6464 0.00000
475 8.6509 0.00000
476 8.6761 0.00000
477 8.7800 0.00000
478 8.7913 0.00000
479 8.9491 0.00000
480 9.4999 0.00000
k-point 11 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3975 1.00000
3 -76.3971 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3923 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7505 1.00000
10 -40.7499 1.00000
11 -40.7479 1.00000
12 -40.7454 1.00000
13 -40.7407 1.00000
14 -40.7401 1.00000
15 -40.7387 1.00000
16 -40.7370 1.00000
17 -40.7291 1.00000
18 -40.7247 1.00000
19 -40.7222 1.00000
20 -40.7215 1.00000
21 -40.7190 1.00000
22 -40.7145 1.00000
23 -40.7140 1.00000
24 -40.7084 1.00000
25 -40.6672 1.00000
26 -40.6610 1.00000
27 -40.6608 1.00000
28 -40.6603 1.00000
29 -40.6557 1.00000
30 -40.6541 1.00000
31 -40.6532 1.00000
32 -40.6483 1.00000
33 -24.0268 1.00000
34 -24.0150 1.00000
35 -24.0065 1.00000
36 -24.0016 1.00000
37 -24.0011 1.00000
38 -24.0010 1.00000
39 -23.9941 1.00000
40 -23.9935 1.00000
41 -23.9931 1.00000
42 -23.9927 1.00000
43 -23.9856 1.00000
44 -23.9855 1.00000
45 -23.9853 1.00000
46 -23.9766 1.00000
47 -23.9765 1.00000
48 -23.9764 1.00000
49 -23.8852 1.00000
50 -23.8810 1.00000
51 -23.8641 1.00000
52 -23.8564 1.00000
53 -23.8135 1.00000
54 -23.8131 1.00000
55 -23.8097 1.00000
56 -23.8093 1.00000
57 -23.7996 1.00000
58 -23.7994 1.00000
59 -23.7925 1.00000
60 -23.7924 1.00000
61 -23.7904 1.00000
62 -23.7868 1.00000
63 -23.7799 1.00000
64 -23.7757 1.00000
65 -23.7755 1.00000
66 -23.7745 1.00000
67 -23.7739 1.00000
68 -23.7730 1.00000
69 -23.7727 1.00000
70 -23.7668 1.00000
71 -23.7649 1.00000
72 -23.7595 1.00000
73 -23.7548 1.00000
74 -23.7543 1.00000
75 -23.7511 1.00000
76 -23.7511 1.00000
77 -23.7417 1.00000
78 -23.7388 1.00000
79 -23.7257 1.00000
80 -23.7224 1.00000
81 -23.7203 1.00000
82 -23.7189 1.00000
83 -23.7180 1.00000
84 -23.7180 1.00000
85 -23.7178 1.00000
86 -23.7168 1.00000
87 -23.7147 1.00000
88 -23.7142 1.00000
89 -23.7137 1.00000
90 -23.7098 1.00000
91 -23.7098 1.00000
92 -23.7044 1.00000
93 -23.6844 1.00000
94 -23.6820 1.00000
95 -23.6696 1.00000
96 -23.6664 1.00000
97 -23.6384 1.00000
98 -23.6363 1.00000
99 -23.6228 1.00000
100 -23.6219 1.00000
101 -23.6071 1.00000
102 -23.6057 1.00000
103 -23.6051 1.00000
104 -23.6042 1.00000
105 -23.6040 1.00000
106 -23.6036 1.00000
107 -23.6006 1.00000
108 -23.6004 1.00000
109 -23.5868 1.00000
110 -23.5821 1.00000
111 -23.5670 1.00000
112 -23.5584 1.00000
113 -20.2979 1.00000
114 -19.9505 1.00000
115 -19.7481 1.00000
116 -19.7478 1.00000
117 -19.7187 1.00000
118 -19.6490 1.00000
119 -19.6472 1.00000
120 -19.5270 1.00000
121 -19.3182 1.00000
122 -19.3172 1.00000
123 -19.2718 1.00000
124 -19.2696 1.00000
125 -19.2538 1.00000
126 -19.2273 1.00000
127 -19.1736 1.00000
128 -19.0442 1.00000
129 -18.9066 1.00000
130 -18.8902 1.00000
131 -18.8777 1.00000
132 -18.8771 1.00000
133 -18.8695 1.00000
134 -18.7439 1.00000
135 -18.7121 1.00000
136 -18.7053 1.00000
137 -18.7048 1.00000
138 -18.6261 1.00000
139 -18.5920 1.00000
140 -18.5647 1.00000
141 -18.3932 1.00000
142 -18.3928 1.00000
143 -18.3845 1.00000
144 -18.3839 1.00000
145 -18.3231 1.00000
146 -18.2977 1.00000
147 -18.2309 1.00000
148 -18.2256 1.00000
149 -18.2033 1.00000
150 -18.2030 1.00000
151 -18.1985 1.00000
152 -18.1979 1.00000
153 -18.0939 1.00000
154 -18.0935 1.00000
155 -18.0787 1.00000
156 -18.0784 1.00000
157 -17.5663 1.00000
158 -17.5393 1.00000
159 -17.5074 1.00000
160 -17.5027 1.00000
161 -11.7988 1.00000
162 -11.7358 1.00000
163 -11.5524 1.00000
164 -11.5310 1.00000
165 -11.0048 1.00000
166 -11.0044 1.00000
167 -10.9367 1.00000
168 -10.9356 1.00000
169 -10.8515 1.00000
170 -10.8511 1.00000
171 -10.7856 1.00000
172 -10.7845 1.00000
173 -10.1291 1.00000
174 -10.0680 1.00000
175 -9.9835 1.00000
176 -9.8685 1.00000
177 -7.5265 1.00000
178 -7.3308 1.00000
179 -7.3291 1.00000
180 -7.3256 1.00000
181 -7.2772 1.00000
182 -7.2393 1.00000
183 -7.1083 1.00000
184 -7.1071 1.00000
185 -6.9300 1.00000
186 -6.9224 1.00000
187 -6.9224 1.00000
188 -6.9212 1.00000
189 -6.7781 1.00000
190 -6.7563 1.00000
191 -6.7549 1.00000
192 -6.6517 1.00000
193 -6.5562 1.00000
194 -6.5556 1.00000
195 -6.5480 1.00000
196 -6.4674 1.00000
197 -6.4335 1.00000
198 -6.3702 1.00000
199 -6.3209 1.00000
200 -6.3203 1.00000
201 -6.2951 1.00000
202 -6.2863 1.00000
203 -6.2189 1.00000
204 -6.2183 1.00000
205 -6.1316 1.00000
206 -6.1307 1.00000
207 -6.0278 1.00000
208 -6.0219 1.00000
209 -5.8507 1.00000
210 -5.8218 1.00000
211 -5.8212 1.00000
212 -5.8116 1.00000
213 -5.8085 1.00000
214 -5.8070 1.00000
215 -5.7870 1.00000
216 -5.7860 1.00000
217 -5.6429 1.00000
218 -5.6415 1.00000
219 -5.5997 1.00000
220 -5.5537 1.00000
221 -5.4381 1.00000
222 -5.3308 1.00000
223 -5.2518 1.00000
224 -5.2508 1.00000
225 -5.2287 1.00000
226 -5.2234 1.00000
227 -5.1382 1.00000
228 -5.0964 1.00000
229 -5.0192 1.00000
230 -5.0184 1.00000
231 -4.9661 1.00000
232 -4.8954 1.00000
233 -4.8691 1.00000
234 -4.8659 1.00000
235 -4.8210 1.00000
236 -4.8172 1.00000
237 -4.8166 1.00000
238 -4.7302 1.00000
239 -4.5483 1.00000
240 -4.5471 1.00000
241 -4.4902 1.00000
242 -4.4351 1.00000
243 -4.4348 1.00000
244 -4.4079 1.00000
245 -4.4072 1.00000
246 -4.3507 1.00000
247 -4.1443 1.00000
248 -4.1438 1.00000
249 -4.1390 1.00000
250 -4.1054 1.00000
251 -3.9906 1.00000
252 -3.9901 1.00000
253 -3.9492 1.00000
254 -3.9249 1.00000
255 -3.8750 1.00000
256 -3.8546 1.00000
257 -3.8543 1.00000
258 -3.8072 1.00000
259 -3.7471 1.00000
260 -3.7116 1.00000
261 -3.7009 1.00000
262 -3.7005 1.00000
263 -3.6471 1.00000
264 -3.5539 1.00000
265 -3.5536 1.00000
266 -3.5235 1.00000
267 -3.5232 1.00000
268 -3.4689 1.00000
269 -3.4544 1.00000
270 -3.4340 1.00000
271 -3.4336 1.00000
272 -3.3169 1.00000
273 -3.2709 1.00000
274 -3.2312 1.00000
275 -3.2277 1.00000
276 -3.2272 1.00000
277 -3.2043 1.00000
278 -3.2040 1.00000
279 -3.1622 1.00000
280 -3.1120 1.00000
281 -3.1103 1.00000
282 -3.1099 1.00000
283 -3.0725 1.00000
284 -3.0719 1.00000
285 -3.0591 1.00000
286 -3.0217 1.00000
287 -2.9188 1.00000
288 -2.9185 1.00000
289 -2.9018 1.00000
290 -2.8743 1.00000
291 -2.8001 1.00000
292 -2.7998 1.00000
293 -2.7679 1.00000
294 -2.7543 1.00000
295 -2.7443 1.00000
296 -2.7442 1.00000
297 -2.7303 1.00000
298 -2.7166 1.00000
299 -2.7079 1.00000
300 -2.7077 1.00000
301 -2.6846 1.00000
302 -2.6518 1.00000
303 -2.6066 1.00000
304 -2.6057 1.00000
305 -2.4979 1.00000
306 -2.4972 1.00000
307 -2.4635 1.00000
308 -2.4346 1.00000
309 -2.4135 1.00000
310 -2.4133 1.00000
311 -2.4077 1.00000
312 -2.2730 1.00000
313 -2.2564 1.00000
314 -2.2559 1.00000
315 -2.1506 1.00000
316 -2.1262 1.00000
317 -2.1084 1.00000
318 -2.1035 1.00000
319 -2.0536 1.00000
320 -1.9405 1.00000
321 0.5994 0.00000
322 0.8931 0.00000
323 0.9082 0.00000
324 0.9822 0.00000
325 0.9823 0.00000
326 1.0611 0.00000
327 1.0616 0.00000
328 1.1066 0.00000
329 1.3021 0.00000
330 1.3028 0.00000
331 1.4108 0.00000
332 1.4168 0.00000
333 1.4176 0.00000
334 1.4184 0.00000
335 1.4395 0.00000
336 1.4405 0.00000
337 1.5588 0.00000
338 1.6728 0.00000
339 1.7260 0.00000
340 1.7675 0.00000
341 1.9045 0.00000
342 1.9783 0.00000
343 1.9785 0.00000
344 1.9798 0.00000
345 1.9806 0.00000
346 2.0593 0.00000
347 2.0968 0.00000
348 2.0971 0.00000
349 2.2759 0.00000
350 2.3241 0.00000
351 2.3247 0.00000
352 2.3525 0.00000
353 2.4056 0.00000
354 2.5104 0.00000
355 2.6291 0.00000
356 2.7861 0.00000
357 2.7863 0.00000
358 2.8150 0.00000
359 2.9113 0.00000
360 2.9709 0.00000
361 2.9718 0.00000
362 3.0098 0.00000
363 3.1011 0.00000
364 3.1261 0.00000
365 3.2053 0.00000
366 3.2413 0.00000
367 3.2547 0.00000
368 3.2768 0.00000
369 3.2779 0.00000
370 3.3342 0.00000
371 3.4260 0.00000
372 3.5535 0.00000
373 3.5537 0.00000
374 3.7840 0.00000
375 3.8605 0.00000
376 3.8639 0.00000
377 3.8925 0.00000
378 3.8930 0.00000
379 3.9316 0.00000
380 4.0003 0.00000
381 4.1275 0.00000
382 4.1315 0.00000
383 4.1332 0.00000
384 4.2438 0.00000
385 4.2450 0.00000
386 4.3262 0.00000
387 4.4048 0.00000
388 4.4529 0.00000
389 4.4537 0.00000
390 4.5250 0.00000
391 4.5603 0.00000
392 4.7128 0.00000
393 4.7136 0.00000
394 4.7465 0.00000
395 4.7880 0.00000
396 4.8460 0.00000
397 4.9506 0.00000
398 4.9574 0.00000
399 4.9935 0.00000
400 4.9936 0.00000
401 5.0097 0.00000
402 5.0279 0.00000
403 5.0654 0.00000
404 5.1181 0.00000
405 5.1181 0.00000
406 5.1221 0.00000
407 5.1337 0.00000
408 5.1340 0.00000
409 5.2023 0.00000
410 5.4132 0.00000
411 5.4504 0.00000
412 5.4509 0.00000
413 5.5494 0.00000
414 5.5501 0.00000
415 5.6091 0.00000
416 5.6160 0.00000
417 5.7269 0.00000
418 5.7412 0.00000
419 5.7557 0.00000
420 5.7559 0.00000
421 5.7578 0.00000
422 5.7581 0.00000
423 5.8021 0.00000
424 6.0003 0.00000
425 6.0004 0.00000
426 6.0827 0.00000
427 6.0827 0.00000
428 6.2062 0.00000
429 6.2064 0.00000
430 6.2442 0.00000
431 6.3422 0.00000
432 6.3424 0.00000
433 6.3815 0.00000
434 6.5172 0.00000
435 6.5313 0.00000
436 6.5861 0.00000
437 6.6064 0.00000
438 6.6065 0.00000
439 6.7300 0.00000
440 6.7301 0.00000
441 6.8922 0.00000
442 6.8924 0.00000
443 7.2813 0.00000
444 7.5009 0.00000
445 7.5061 0.00000
446 7.5207 0.00000
447 7.5388 0.00000
448 7.5408 0.00000
449 7.6940 0.00000
450 7.6948 0.00000
451 7.6994 0.00000
452 7.7010 0.00000
453 7.7420 0.00000
454 7.7584 0.00000
455 7.8553 0.00000
456 7.8635 0.00000
457 7.8726 0.00000
458 7.9602 0.00000
459 8.0991 0.00000
460 8.3008 0.00000
461 8.3239 0.00000
462 8.4110 0.00000
463 8.4647 0.00000
464 8.4764 0.00000
465 8.4765 0.00000
466 8.5508 0.00000
467 8.5664 0.00000
468 8.7591 0.00000
469 8.8219 0.00000
470 8.9075 0.00000
471 8.9486 0.00000
472 9.0375 0.00000
473 9.0492 0.00000
474 9.0689 0.00000
475 9.1915 0.00000
476 9.5548 0.00000
477 9.6577 0.00000
478 9.8434 0.00000
479 10.2527 0.00000
480 10.2558 0.00000
k-point 12 : 0.2500 0.0000 0.5000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3975 1.00000
3 -76.3971 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3923 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7497 1.00000
10 -40.7490 1.00000
11 -40.7471 1.00000
12 -40.7449 1.00000
13 -40.7421 1.00000
14 -40.7415 1.00000
15 -40.7395 1.00000
16 -40.7385 1.00000
17 -40.7286 1.00000
18 -40.7248 1.00000
19 -40.7212 1.00000
20 -40.7205 1.00000
21 -40.7174 1.00000
22 -40.7149 1.00000
23 -40.7145 1.00000
24 -40.7092 1.00000
25 -40.6672 1.00000
26 -40.6609 1.00000
27 -40.6607 1.00000
28 -40.6603 1.00000
29 -40.6556 1.00000
30 -40.6542 1.00000
31 -40.6533 1.00000
32 -40.6485 1.00000
33 -24.0240 1.00000
34 -24.0120 1.00000
35 -24.0096 1.00000
36 -24.0006 1.00000
37 -24.0000 1.00000
38 -23.9999 1.00000
39 -23.9963 1.00000
40 -23.9953 1.00000
41 -23.9947 1.00000
42 -23.9941 1.00000
43 -23.9845 1.00000
44 -23.9844 1.00000
45 -23.9842 1.00000
46 -23.9777 1.00000
47 -23.9777 1.00000
48 -23.9775 1.00000
49 -23.8845 1.00000
50 -23.8815 1.00000
51 -23.8632 1.00000
52 -23.8572 1.00000
53 -23.8129 1.00000
54 -23.8125 1.00000
55 -23.8101 1.00000
56 -23.8097 1.00000
57 -23.7987 1.00000
58 -23.7985 1.00000
59 -23.7932 1.00000
60 -23.7931 1.00000
61 -23.7900 1.00000
62 -23.7875 1.00000
63 -23.7791 1.00000
64 -23.7760 1.00000
65 -23.7755 1.00000
66 -23.7744 1.00000
67 -23.7743 1.00000
68 -23.7733 1.00000
69 -23.7721 1.00000
70 -23.7677 1.00000
71 -23.7639 1.00000
72 -23.7600 1.00000
73 -23.7548 1.00000
74 -23.7543 1.00000
75 -23.7513 1.00000
76 -23.7513 1.00000
77 -23.7414 1.00000
78 -23.7394 1.00000
79 -23.7253 1.00000
80 -23.7215 1.00000
81 -23.7201 1.00000
82 -23.7199 1.00000
83 -23.7186 1.00000
84 -23.7184 1.00000
85 -23.7183 1.00000
86 -23.7171 1.00000
87 -23.7144 1.00000
88 -23.7138 1.00000
89 -23.7111 1.00000
90 -23.7102 1.00000
91 -23.7101 1.00000
92 -23.7050 1.00000
93 -23.6821 1.00000
94 -23.6796 1.00000
95 -23.6716 1.00000
96 -23.6684 1.00000
97 -23.6367 1.00000
98 -23.6348 1.00000
99 -23.6256 1.00000
100 -23.6252 1.00000
101 -23.6069 1.00000
102 -23.6055 1.00000
103 -23.6054 1.00000
104 -23.6042 1.00000
105 -23.6041 1.00000
106 -23.6034 1.00000
107 -23.6007 1.00000
108 -23.6005 1.00000
109 -23.5831 1.00000
110 -23.5778 1.00000
111 -23.5694 1.00000
112 -23.5612 1.00000
113 -20.2654 1.00000
114 -20.0412 1.00000
115 -19.7346 1.00000
116 -19.7341 1.00000
117 -19.6643 1.00000
118 -19.6628 1.00000
119 -19.6429 1.00000
120 -19.5321 1.00000
121 -19.3141 1.00000
122 -19.3130 1.00000
123 -19.2823 1.00000
124 -19.2804 1.00000
125 -19.2534 1.00000
126 -19.2414 1.00000
127 -19.1461 1.00000
128 -19.0620 1.00000
129 -18.9046 1.00000
130 -18.8870 1.00000
131 -18.8642 1.00000
132 -18.8481 1.00000
133 -18.8475 1.00000
134 -18.7922 1.00000
135 -18.7275 1.00000
136 -18.7270 1.00000
137 -18.6832 1.00000
138 -18.6336 1.00000
139 -18.5854 1.00000
140 -18.5658 1.00000
141 -18.3920 1.00000
142 -18.3915 1.00000
143 -18.3847 1.00000
144 -18.3841 1.00000
145 -18.3169 1.00000
146 -18.2987 1.00000
147 -18.2321 1.00000
148 -18.2279 1.00000
149 -18.2030 1.00000
150 -18.2028 1.00000
151 -18.1993 1.00000
152 -18.1986 1.00000
153 -18.0917 1.00000
154 -18.0915 1.00000
155 -18.0809 1.00000
156 -18.0806 1.00000
157 -17.5621 1.00000
158 -17.5429 1.00000
159 -17.5068 1.00000
160 -17.5037 1.00000
161 -11.7647 1.00000
162 -11.7102 1.00000
163 -11.5858 1.00000
164 -11.5712 1.00000
165 -10.9832 1.00000
166 -10.9828 1.00000
167 -10.9154 1.00000
168 -10.9143 1.00000
169 -10.8748 1.00000
170 -10.8744 1.00000
171 -10.8086 1.00000
172 -10.8075 1.00000
173 -10.1120 1.00000
174 -10.0708 1.00000
175 -9.9671 1.00000
176 -9.8847 1.00000
177 -7.4914 1.00000
178 -7.3190 1.00000
179 -7.3118 1.00000
180 -7.2931 1.00000
181 -7.2914 1.00000
182 -7.1085 1.00000
183 -7.0720 1.00000
184 -7.0709 1.00000
185 -7.0520 1.00000
186 -7.0337 1.00000
187 -7.0322 1.00000
188 -6.9187 1.00000
189 -6.8240 1.00000
190 -6.8228 1.00000
191 -6.8208 1.00000
192 -6.6159 1.00000
193 -6.5216 1.00000
194 -6.4982 1.00000
195 -6.4484 1.00000
196 -6.4476 1.00000
197 -6.4474 1.00000
198 -6.3627 1.00000
199 -6.3219 1.00000
200 -6.2843 1.00000
201 -6.2838 1.00000
202 -6.2222 1.00000
203 -6.1732 1.00000
204 -6.1723 1.00000
205 -6.0855 1.00000
206 -6.0850 1.00000
207 -6.0639 1.00000
208 -6.0086 1.00000
209 -5.9278 1.00000
210 -5.9273 1.00000
211 -5.8874 1.00000
212 -5.8337 1.00000
213 -5.7933 1.00000
214 -5.7828 1.00000
215 -5.7325 1.00000
216 -5.7316 1.00000
217 -5.6811 1.00000
218 -5.6627 1.00000
219 -5.6617 1.00000
220 -5.5655 1.00000
221 -5.5242 1.00000
222 -5.4298 1.00000
223 -5.4007 1.00000
224 -5.3999 1.00000
225 -5.2531 1.00000
226 -5.1586 1.00000
227 -5.1062 1.00000
228 -5.0189 1.00000
229 -4.9878 1.00000
230 -4.9871 1.00000
231 -4.9511 1.00000
232 -4.9364 1.00000
233 -4.8990 1.00000
234 -4.8371 1.00000
235 -4.8367 1.00000
236 -4.8254 1.00000
237 -4.6544 1.00000
238 -4.6189 1.00000
239 -4.5716 1.00000
240 -4.5707 1.00000
241 -4.4279 1.00000
242 -4.4271 1.00000
243 -4.4149 1.00000
244 -4.3346 1.00000
245 -4.3302 1.00000
246 -4.3299 1.00000
247 -4.2241 1.00000
248 -4.1727 1.00000
249 -4.0673 1.00000
250 -4.0669 1.00000
251 -4.0453 1.00000
252 -4.0062 1.00000
253 -4.0057 1.00000
254 -3.8937 1.00000
255 -3.8738 1.00000
256 -3.8405 1.00000
257 -3.8404 1.00000
258 -3.7723 1.00000
259 -3.7699 1.00000
260 -3.6897 1.00000
261 -3.6891 1.00000
262 -3.6589 1.00000
263 -3.6318 1.00000
264 -3.5250 1.00000
265 -3.5248 1.00000
266 -3.5080 1.00000
267 -3.5077 1.00000
268 -3.4881 1.00000
269 -3.4671 1.00000
270 -3.4667 1.00000
271 -3.4233 1.00000
272 -3.3373 1.00000
273 -3.2787 1.00000
274 -3.2622 1.00000
275 -3.2358 1.00000
276 -3.2351 1.00000
277 -3.2138 1.00000
278 -3.2136 1.00000
279 -3.1696 1.00000
280 -3.0968 1.00000
281 -3.0962 1.00000
282 -3.0875 1.00000
283 -3.0869 1.00000
284 -3.0688 1.00000
285 -3.0331 1.00000
286 -2.9500 1.00000
287 -2.9298 1.00000
288 -2.9204 1.00000
289 -2.9202 1.00000
290 -2.8623 1.00000
291 -2.8027 1.00000
292 -2.8025 1.00000
293 -2.7954 1.00000
294 -2.7682 1.00000
295 -2.7458 1.00000
296 -2.7456 1.00000
297 -2.7411 1.00000
298 -2.7409 1.00000
299 -2.7401 1.00000
300 -2.7297 1.00000
301 -2.6993 1.00000
302 -2.6679 1.00000
303 -2.6220 1.00000
304 -2.6214 1.00000
305 -2.5306 1.00000
306 -2.5300 1.00000
307 -2.4786 1.00000
308 -2.4429 1.00000
309 -2.4340 1.00000
310 -2.3849 1.00000
311 -2.3848 1.00000
312 -2.2964 1.00000
313 -2.2843 1.00000
314 -2.2838 1.00000
315 -2.2039 1.00000
316 -2.1648 1.00000
317 -2.1558 1.00000
318 -2.0408 1.00000
319 -2.0306 1.00000
320 -1.9188 1.00000
321 0.6750 0.00000
322 0.9050 0.00000
323 0.9599 0.00000
324 1.0075 0.00000
325 1.0075 0.00000
326 1.1045 0.00000
327 1.1077 0.00000
328 1.1081 0.00000
329 1.2882 0.00000
330 1.2891 0.00000
331 1.3466 0.00000
332 1.3827 0.00000
333 1.4173 0.00000
334 1.4182 0.00000
335 1.4733 0.00000
336 1.4737 0.00000
337 1.5689 0.00000
338 1.6399 0.00000
339 1.7384 0.00000
340 1.8324 0.00000
341 1.8541 0.00000
342 1.9222 0.00000
343 1.9227 0.00000
344 2.0338 0.00000
345 2.0339 0.00000
346 2.0489 0.00000
347 2.0494 0.00000
348 2.1043 0.00000
349 2.2425 0.00000
350 2.2460 0.00000
351 2.3444 0.00000
352 2.3449 0.00000
353 2.3963 0.00000
354 2.4912 0.00000
355 2.5488 0.00000
356 2.6534 0.00000
357 2.7303 0.00000
358 2.8317 0.00000
359 2.8323 0.00000
360 2.8767 0.00000
361 2.8769 0.00000
362 2.9919 0.00000
363 3.1171 0.00000
364 3.1210 0.00000
365 3.1821 0.00000
366 3.1826 0.00000
367 3.3642 0.00000
368 3.4513 0.00000
369 3.4530 0.00000
370 3.5145 0.00000
371 3.5566 0.00000
372 3.6072 0.00000
373 3.6079 0.00000
374 3.7493 0.00000
375 3.7958 0.00000
376 3.7965 0.00000
377 3.8717 0.00000
378 3.8791 0.00000
379 3.9853 0.00000
380 4.0559 0.00000
381 4.1710 0.00000
382 4.2168 0.00000
383 4.2182 0.00000
384 4.2696 0.00000
385 4.2852 0.00000
386 4.2867 0.00000
387 4.2959 0.00000
388 4.4193 0.00000
389 4.5829 0.00000
390 4.5832 0.00000
391 4.5974 0.00000
392 4.6226 0.00000
393 4.7411 0.00000
394 4.7699 0.00000
395 4.7741 0.00000
396 4.7747 0.00000
397 4.8080 0.00000
398 4.8931 0.00000
399 4.9165 0.00000
400 5.0277 0.00000
401 5.0406 0.00000
402 5.0407 0.00000
403 5.0638 0.00000
404 5.0639 0.00000
405 5.1452 0.00000
406 5.1915 0.00000
407 5.1917 0.00000
408 5.2622 0.00000
409 5.2942 0.00000
410 5.3577 0.00000
411 5.3581 0.00000
412 5.4426 0.00000
413 5.5344 0.00000
414 5.5348 0.00000
415 5.5549 0.00000
416 5.5555 0.00000
417 5.5557 0.00000
418 5.6273 0.00000
419 5.6628 0.00000
420 5.6630 0.00000
421 5.7159 0.00000
422 5.8218 0.00000
423 5.8219 0.00000
424 5.9171 0.00000
425 5.9173 0.00000
426 5.9346 0.00000
427 6.0079 0.00000
428 6.1633 0.00000
429 6.3063 0.00000
430 6.3064 0.00000
431 6.3541 0.00000
432 6.5027 0.00000
433 6.5943 0.00000
434 6.6675 0.00000
435 6.6676 0.00000
436 6.6988 0.00000
437 6.6989 0.00000
438 6.7868 0.00000
439 6.7869 0.00000
440 7.0587 0.00000
441 7.1229 0.00000
442 7.1232 0.00000
443 7.1815 0.00000
444 7.1816 0.00000
445 7.2219 0.00000
446 7.3032 0.00000
447 7.4385 0.00000
448 7.4389 0.00000
449 7.4649 0.00000
450 7.4741 0.00000
451 7.6350 0.00000
452 7.7359 0.00000
453 7.8050 0.00000
454 7.8249 0.00000
455 7.8288 0.00000
456 7.8705 0.00000
457 7.9135 0.00000
458 8.0533 0.00000
459 8.0720 0.00000
460 8.2086 0.00000
461 8.2629 0.00000
462 8.2648 0.00000
463 8.3125 0.00000
464 8.3721 0.00000
465 8.3836 0.00000
466 8.4949 0.00000
467 8.5763 0.00000
468 8.5828 0.00000
469 8.6007 0.00000
470 8.6359 0.00000
471 8.7575 0.00000
472 8.9035 0.00000
473 8.9389 0.00000
474 9.0071 0.00000
475 9.1423 0.00000
476 9.2586 0.00000
477 9.2817 0.00000
478 9.4504 0.00000
479 9.4529 0.00000
480 9.8369 0.00000
k-point 13 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3975 1.00000
3 -76.3971 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3923 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7485 1.00000
10 -40.7478 1.00000
11 -40.7460 1.00000
12 -40.7443 1.00000
13 -40.7438 1.00000
14 -40.7432 1.00000
15 -40.7406 1.00000
16 -40.7401 1.00000
17 -40.7282 1.00000
18 -40.7249 1.00000
19 -40.7202 1.00000
20 -40.7194 1.00000
21 -40.7156 1.00000
22 -40.7155 1.00000
23 -40.7151 1.00000
24 -40.7104 1.00000
25 -40.6672 1.00000
26 -40.6608 1.00000
27 -40.6606 1.00000
28 -40.6603 1.00000
29 -40.6554 1.00000
30 -40.6543 1.00000
31 -40.6534 1.00000
32 -40.6486 1.00000
33 -24.0172 1.00000
34 -24.0167 1.00000
35 -24.0056 1.00000
36 -24.0030 1.00000
37 -23.9981 1.00000
38 -23.9978 1.00000
39 -23.9977 1.00000
40 -23.9973 1.00000
41 -23.9970 1.00000
42 -23.9968 1.00000
43 -23.9829 1.00000
44 -23.9827 1.00000
45 -23.9824 1.00000
46 -23.9795 1.00000
47 -23.9795 1.00000
48 -23.9794 1.00000
49 -23.8832 1.00000
50 -23.8827 1.00000
51 -23.8619 1.00000
52 -23.8584 1.00000
53 -23.8117 1.00000
54 -23.8112 1.00000
55 -23.8111 1.00000
56 -23.8108 1.00000
57 -23.7974 1.00000
58 -23.7971 1.00000
59 -23.7943 1.00000
60 -23.7942 1.00000
61 -23.7891 1.00000
62 -23.7887 1.00000
63 -23.7775 1.00000
64 -23.7772 1.00000
65 -23.7752 1.00000
66 -23.7748 1.00000
67 -23.7741 1.00000
68 -23.7737 1.00000
69 -23.7712 1.00000
70 -23.7688 1.00000
71 -23.7628 1.00000
72 -23.7606 1.00000
73 -23.7549 1.00000
74 -23.7543 1.00000
75 -23.7515 1.00000
76 -23.7515 1.00000
77 -23.7407 1.00000
78 -23.7403 1.00000
79 -23.7246 1.00000
80 -23.7219 1.00000
81 -23.7199 1.00000
82 -23.7195 1.00000
83 -23.7193 1.00000
84 -23.7190 1.00000
85 -23.7181 1.00000
86 -23.7176 1.00000
87 -23.7139 1.00000
88 -23.7132 1.00000
89 -23.7106 1.00000
90 -23.7105 1.00000
91 -23.7088 1.00000
92 -23.7062 1.00000
93 -23.6770 1.00000
94 -23.6766 1.00000
95 -23.6752 1.00000
96 -23.6725 1.00000
97 -23.6330 1.00000
98 -23.6310 1.00000
99 -23.6306 1.00000
100 -23.6303 1.00000
101 -23.6065 1.00000
102 -23.6058 1.00000
103 -23.6049 1.00000
104 -23.6048 1.00000
105 -23.6039 1.00000
106 -23.6033 1.00000
107 -23.6009 1.00000
108 -23.6007 1.00000
109 -23.5759 1.00000
110 -23.5756 1.00000
111 -23.5702 1.00000
112 -23.5675 1.00000
113 -20.1765 1.00000
114 -20.1687 1.00000
115 -19.7043 1.00000
116 -19.7040 1.00000
117 -19.6962 1.00000
118 -19.6952 1.00000
119 -19.5640 1.00000
120 -19.5594 1.00000
121 -19.3032 1.00000
122 -19.3025 1.00000
123 -19.2984 1.00000
124 -19.2976 1.00000
125 -19.2543 1.00000
126 -19.2478 1.00000
127 -19.1043 1.00000
128 -19.0998 1.00000
129 -18.8918 1.00000
130 -18.8873 1.00000
131 -18.8477 1.00000
132 -18.8456 1.00000
133 -18.7872 1.00000
134 -18.7856 1.00000
135 -18.7820 1.00000
136 -18.7813 1.00000
137 -18.6562 1.00000
138 -18.6525 1.00000
139 -18.5729 1.00000
140 -18.5727 1.00000
141 -18.3908 1.00000
142 -18.3904 1.00000
143 -18.3852 1.00000
144 -18.3847 1.00000
145 -18.3054 1.00000
146 -18.3042 1.00000
147 -18.2329 1.00000
148 -18.2306 1.00000
149 -18.2023 1.00000
150 -18.2023 1.00000
151 -18.2004 1.00000
152 -18.1996 1.00000
153 -18.0880 1.00000
154 -18.0878 1.00000
155 -18.0847 1.00000
156 -18.0841 1.00000
157 -17.5532 1.00000
158 -17.5509 1.00000
159 -17.5055 1.00000
160 -17.5048 1.00000
161 -11.6776 1.00000
162 -11.6771 1.00000
163 -11.6470 1.00000
164 -11.6438 1.00000
165 -10.9318 1.00000
166 -10.9309 1.00000
167 -10.9279 1.00000
168 -10.9278 1.00000
169 -10.8634 1.00000
170 -10.8623 1.00000
171 -10.8618 1.00000
172 -10.8614 1.00000
173 -10.0870 1.00000
174 -10.0819 1.00000
175 -9.9259 1.00000
176 -9.9252 1.00000
177 -7.4058 1.00000
178 -7.3974 1.00000
179 -7.2201 1.00000
180 -7.2194 1.00000
181 -7.1899 1.00000
182 -7.1879 1.00000
183 -7.1830 1.00000
184 -7.1817 1.00000
185 -6.9704 1.00000
186 -6.9696 1.00000
187 -6.9651 1.00000
188 -6.9637 1.00000
189 -6.9205 1.00000
190 -6.9169 1.00000
191 -6.7894 1.00000
192 -6.7891 1.00000
193 -6.5297 1.00000
194 -6.5269 1.00000
195 -6.4452 1.00000
196 -6.4418 1.00000
197 -6.2850 1.00000
198 -6.2838 1.00000
199 -6.2775 1.00000
200 -6.2765 1.00000
201 -6.1793 1.00000
202 -6.1763 1.00000
203 -6.1275 1.00000
204 -6.1269 1.00000
205 -6.1255 1.00000
206 -6.1247 1.00000
207 -6.0195 1.00000
208 -6.0155 1.00000
209 -5.9226 1.00000
210 -5.9209 1.00000
211 -5.8487 1.00000
212 -5.8484 1.00000
213 -5.8458 1.00000
214 -5.8449 1.00000
215 -5.7694 1.00000
216 -5.7666 1.00000
217 -5.6700 1.00000
218 -5.6677 1.00000
219 -5.5984 1.00000
220 -5.5975 1.00000
221 -5.5971 1.00000
222 -5.5964 1.00000
223 -5.5494 1.00000
224 -5.5487 1.00000
225 -5.1348 1.00000
226 -5.1339 1.00000
227 -5.0719 1.00000
228 -5.0703 1.00000
229 -5.0424 1.00000
230 -5.0415 1.00000
231 -4.9137 1.00000
232 -4.9132 1.00000
233 -4.9088 1.00000
234 -4.9082 1.00000
235 -4.7499 1.00000
236 -4.7490 1.00000
237 -4.4962 1.00000
238 -4.4953 1.00000
239 -4.4946 1.00000
240 -4.4939 1.00000
241 -4.4789 1.00000
242 -4.4770 1.00000
243 -4.3965 1.00000
244 -4.3927 1.00000
245 -4.2098 1.00000
246 -4.2096 1.00000
247 -4.2087 1.00000
248 -4.2080 1.00000
249 -4.2056 1.00000
250 -4.2054 1.00000
251 -4.0655 1.00000
252 -4.0633 1.00000
253 -3.8423 1.00000
254 -3.8419 1.00000
255 -3.8404 1.00000
256 -3.8403 1.00000
257 -3.7906 1.00000
258 -3.7873 1.00000
259 -3.7409 1.00000
260 -3.7398 1.00000
261 -3.6211 1.00000
262 -3.6209 1.00000
263 -3.6197 1.00000
264 -3.6190 1.00000
265 -3.5469 1.00000
266 -3.5456 1.00000
267 -3.4718 1.00000
268 -3.4714 1.00000
269 -3.4703 1.00000
270 -3.4699 1.00000
271 -3.3513 1.00000
272 -3.3487 1.00000
273 -3.3105 1.00000
274 -3.3075 1.00000
275 -3.2353 1.00000
276 -3.2353 1.00000
277 -3.2329 1.00000
278 -3.2326 1.00000
279 -3.1018 1.00000
280 -3.1013 1.00000
281 -3.0995 1.00000
282 -3.0989 1.00000
283 -3.0883 1.00000
284 -3.0811 1.00000
285 -2.9288 1.00000
286 -2.9270 1.00000
287 -2.8925 1.00000
288 -2.8920 1.00000
289 -2.8600 1.00000
290 -2.8598 1.00000
291 -2.8593 1.00000
292 -2.8591 1.00000
293 -2.8159 1.00000
294 -2.8154 1.00000
295 -2.7714 1.00000
296 -2.7710 1.00000
297 -2.7666 1.00000
298 -2.7658 1.00000
299 -2.7652 1.00000
300 -2.7645 1.00000
301 -2.6923 1.00000
302 -2.6894 1.00000
303 -2.5953 1.00000
304 -2.5950 1.00000
305 -2.5934 1.00000
306 -2.5927 1.00000
307 -2.4704 1.00000
308 -2.4679 1.00000
309 -2.4384 1.00000
310 -2.4381 1.00000
311 -2.3387 1.00000
312 -2.3380 1.00000
313 -2.3331 1.00000
314 -2.3320 1.00000
315 -2.1871 1.00000
316 -2.1864 1.00000
317 -2.0608 1.00000
318 -2.0604 1.00000
319 -1.9808 1.00000
320 -1.9803 1.00000
321 0.8254 0.00000
322 0.8273 0.00000
323 1.0787 0.00000
324 1.0791 0.00000
325 1.0831 0.00000
326 1.0834 0.00000
327 1.0879 0.00000
328 1.0937 0.00000
329 1.2916 0.00000
330 1.2929 0.00000
331 1.3326 0.00000
332 1.3327 0.00000
333 1.3344 0.00000
334 1.3345 0.00000
335 1.5687 0.00000
336 1.5703 0.00000
337 1.7055 0.00000
338 1.7058 0.00000
339 1.7065 0.00000
340 1.7068 0.00000
341 1.8142 0.00000
342 1.8151 0.00000
343 1.9873 0.00000
344 1.9899 0.00000
345 2.0326 0.00000
346 2.0330 0.00000
347 2.0353 0.00000
348 2.0358 0.00000
349 2.1950 0.00000
350 2.1954 0.00000
351 2.3506 0.00000
352 2.3521 0.00000
353 2.5454 0.00000
354 2.5458 0.00000
355 2.5471 0.00000
356 2.5472 0.00000
357 2.6271 0.00000
358 2.6273 0.00000
359 2.7940 0.00000
360 2.7946 0.00000
361 3.0430 0.00000
362 3.0432 0.00000
363 3.0442 0.00000
364 3.0446 0.00000
365 3.1197 0.00000
366 3.1219 0.00000
367 3.4108 0.00000
368 3.4112 0.00000
369 3.6734 0.00000
370 3.6736 0.00000
371 3.6753 0.00000
372 3.6763 0.00000
373 3.7059 0.00000
374 3.7063 0.00000
375 3.8080 0.00000
376 3.8101 0.00000
377 3.9510 0.00000
378 3.9520 0.00000
379 4.0237 0.00000
380 4.0239 0.00000
381 4.1108 0.00000
382 4.1113 0.00000
383 4.3033 0.00000
384 4.3034 0.00000
385 4.3045 0.00000
386 4.3051 0.00000
387 4.3699 0.00000
388 4.3702 0.00000
389 4.4701 0.00000
390 4.4719 0.00000
391 4.7047 0.00000
392 4.7051 0.00000
393 4.8270 0.00000
394 4.8273 0.00000
395 4.8282 0.00000
396 4.8285 0.00000
397 4.8852 0.00000
398 4.8853 0.00000
399 5.0066 0.00000
400 5.0077 0.00000
401 5.0120 0.00000
402 5.0124 0.00000
403 5.0132 0.00000
404 5.0136 0.00000
405 5.0632 0.00000
406 5.0640 0.00000
407 5.2625 0.00000
408 5.2626 0.00000
409 5.2631 0.00000
410 5.2633 0.00000
411 5.3172 0.00000
412 5.3174 0.00000
413 5.3767 0.00000
414 5.3769 0.00000
415 5.3780 0.00000
416 5.3781 0.00000
417 5.6129 0.00000
418 5.6130 0.00000
419 5.7193 0.00000
420 5.7195 0.00000
421 5.7214 0.00000
422 5.7218 0.00000
423 5.9839 0.00000
424 5.9883 0.00000
425 6.0104 0.00000
426 6.0105 0.00000
427 6.0106 0.00000
428 6.0107 0.00000
429 6.3767 0.00000
430 6.3768 0.00000
431 6.4753 0.00000
432 6.4756 0.00000
433 6.7638 0.00000
434 6.7660 0.00000
435 6.8348 0.00000
436 6.8349 0.00000
437 6.8351 0.00000
438 6.8352 0.00000
439 6.8887 0.00000
440 6.8888 0.00000
441 7.0493 0.00000
442 7.0494 0.00000
443 7.2604 0.00000
444 7.2615 0.00000
445 7.2626 0.00000
446 7.2645 0.00000
447 7.4039 0.00000
448 7.4042 0.00000
449 7.4044 0.00000
450 7.4285 0.00000
451 7.6113 0.00000
452 7.6135 0.00000
453 7.8382 0.00000
454 7.8396 0.00000
455 7.9326 0.00000
456 7.9590 0.00000
457 7.9614 0.00000
458 8.0323 0.00000
459 8.0553 0.00000
460 8.0804 0.00000
461 8.1320 0.00000
462 8.2009 0.00000
463 8.2251 0.00000
464 8.2383 0.00000
465 8.2791 0.00000
466 8.3292 0.00000
467 8.3879 0.00000
468 8.3901 0.00000
469 8.7131 0.00000
470 8.7726 0.00000
471 8.8102 0.00000
472 8.9691 0.00000
473 8.9842 0.00000
474 9.0422 0.00000
475 9.0525 0.00000
476 9.1321 0.00000
477 9.2698 0.00000
478 9.4226 0.00000
479 9.6267 0.00000
480 9.6451 0.00000
k-point 14 : 0.0000 0.2500 0.5000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3977 1.00000
3 -76.3970 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3924 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7495 1.00000
10 -40.7488 1.00000
11 -40.7474 1.00000
12 -40.7452 1.00000
13 -40.7414 1.00000
14 -40.7408 1.00000
15 -40.7403 1.00000
16 -40.7395 1.00000
17 -40.7272 1.00000
18 -40.7245 1.00000
19 -40.7237 1.00000
20 -40.7185 1.00000
21 -40.7179 1.00000
22 -40.7168 1.00000
23 -40.7128 1.00000
24 -40.7093 1.00000
25 -40.6667 1.00000
26 -40.6632 1.00000
27 -40.6597 1.00000
28 -40.6586 1.00000
29 -40.6560 1.00000
30 -40.6560 1.00000
31 -40.6516 1.00000
32 -40.6488 1.00000
33 -24.0220 1.00000
34 -24.0097 1.00000
35 -24.0062 1.00000
36 -24.0037 1.00000
37 -23.9998 1.00000
38 -23.9993 1.00000
39 -23.9985 1.00000
40 -23.9940 1.00000
41 -23.9938 1.00000
42 -23.9921 1.00000
43 -23.9884 1.00000
44 -23.9843 1.00000
45 -23.9829 1.00000
46 -23.9826 1.00000
47 -23.9772 1.00000
48 -23.9764 1.00000
49 -23.8789 1.00000
50 -23.8777 1.00000
51 -23.8586 1.00000
52 -23.8538 1.00000
53 -23.8440 1.00000
54 -23.8354 1.00000
55 -23.8272 1.00000
56 -23.8168 1.00000
57 -23.7937 1.00000
58 -23.7902 1.00000
59 -23.7897 1.00000
60 -23.7865 1.00000
61 -23.7830 1.00000
62 -23.7820 1.00000
63 -23.7815 1.00000
64 -23.7792 1.00000
65 -23.7768 1.00000
66 -23.7754 1.00000
67 -23.7717 1.00000
68 -23.7682 1.00000
69 -23.7649 1.00000
70 -23.7640 1.00000
71 -23.7608 1.00000
72 -23.7608 1.00000
73 -23.7587 1.00000
74 -23.7568 1.00000
75 -23.7422 1.00000
76 -23.7394 1.00000
77 -23.7345 1.00000
78 -23.7311 1.00000
79 -23.7252 1.00000
80 -23.7220 1.00000
81 -23.7197 1.00000
82 -23.7193 1.00000
83 -23.7182 1.00000
84 -23.7173 1.00000
85 -23.7163 1.00000
86 -23.7146 1.00000
87 -23.7132 1.00000
88 -23.7128 1.00000
89 -23.7120 1.00000
90 -23.7099 1.00000
91 -23.7090 1.00000
92 -23.7050 1.00000
93 -23.6896 1.00000
94 -23.6880 1.00000
95 -23.6773 1.00000
96 -23.6745 1.00000
97 -23.6359 1.00000
98 -23.6342 1.00000
99 -23.6213 1.00000
100 -23.6202 1.00000
101 -23.6186 1.00000
102 -23.6175 1.00000
103 -23.6113 1.00000
104 -23.6086 1.00000
105 -23.5980 1.00000
106 -23.5943 1.00000
107 -23.5931 1.00000
108 -23.5883 1.00000
109 -23.5875 1.00000
110 -23.5837 1.00000
111 -23.5708 1.00000
112 -23.5625 1.00000
113 -20.2588 1.00000
114 -19.9679 1.00000
115 -19.9232 1.00000
116 -19.7440 1.00000
117 -19.6990 1.00000
118 -19.6152 1.00000
119 -19.5104 1.00000
120 -19.5042 1.00000
121 -19.3751 1.00000
122 -19.2857 1.00000
123 -19.2784 1.00000
124 -19.2562 1.00000
125 -19.2323 1.00000
126 -19.2239 1.00000
127 -19.1738 1.00000
128 -19.1149 1.00000
129 -18.9068 1.00000
130 -18.8885 1.00000
131 -18.8709 1.00000
132 -18.8704 1.00000
133 -18.8658 1.00000
134 -18.7544 1.00000
135 -18.7155 1.00000
136 -18.6951 1.00000
137 -18.6766 1.00000
138 -18.6110 1.00000
139 -18.5781 1.00000
140 -18.5543 1.00000
141 -18.4877 1.00000
142 -18.4733 1.00000
143 -18.4255 1.00000
144 -18.4124 1.00000
145 -18.3207 1.00000
146 -18.3114 1.00000
147 -18.2913 1.00000
148 -18.2577 1.00000
149 -18.2409 1.00000
150 -18.2294 1.00000
151 -18.2199 1.00000
152 -18.2099 1.00000
153 -17.9660 1.00000
154 -17.9628 1.00000
155 -17.9164 1.00000
156 -17.9155 1.00000
157 -17.6207 1.00000
158 -17.5952 1.00000
159 -17.5646 1.00000
160 -17.5612 1.00000
161 -11.7364 1.00000
162 -11.6829 1.00000
163 -11.4985 1.00000
164 -11.4730 1.00000
165 -11.2932 1.00000
166 -11.2855 1.00000
167 -11.1212 1.00000
168 -11.0686 1.00000
169 -10.6695 1.00000
170 -10.5770 1.00000
171 -10.5755 1.00000
172 -10.4943 1.00000
173 -10.1832 1.00000
174 -10.1487 1.00000
175 -10.0506 1.00000
176 -9.9675 1.00000
177 -7.4611 1.00000
178 -7.3606 1.00000
179 -7.2874 1.00000
180 -7.2804 1.00000
181 -7.2263 1.00000
182 -7.1924 1.00000
183 -7.0992 1.00000
184 -7.0659 1.00000
185 -7.0493 1.00000
186 -7.0258 1.00000
187 -6.9992 1.00000
188 -6.9061 1.00000
189 -6.8804 1.00000
190 -6.8647 1.00000
191 -6.7687 1.00000
192 -6.6601 1.00000
193 -6.5884 1.00000
194 -6.5595 1.00000
195 -6.5441 1.00000
196 -6.4041 1.00000
197 -6.3563 1.00000
198 -6.2909 1.00000
199 -6.2865 1.00000
200 -6.2779 1.00000
201 -6.2678 1.00000
202 -6.2614 1.00000
203 -6.2201 1.00000
204 -6.1280 1.00000
205 -6.1191 1.00000
206 -6.1056 1.00000
207 -6.0986 1.00000
208 -5.9496 1.00000
209 -5.9429 1.00000
210 -5.9154 1.00000
211 -5.8795 1.00000
212 -5.8691 1.00000
213 -5.8618 1.00000
214 -5.8572 1.00000
215 -5.6526 1.00000
216 -5.6445 1.00000
217 -5.6194 1.00000
218 -5.6166 1.00000
219 -5.5684 1.00000
220 -5.5424 1.00000
221 -5.5142 1.00000
222 -5.4630 1.00000
223 -5.3832 1.00000
224 -5.3549 1.00000
225 -5.2986 1.00000
226 -5.1893 1.00000
227 -5.1455 1.00000
228 -5.0733 1.00000
229 -5.0353 1.00000
230 -4.9344 1.00000
231 -4.8755 1.00000
232 -4.8669 1.00000
233 -4.8360 1.00000
234 -4.7628 1.00000
235 -4.7541 1.00000
236 -4.7453 1.00000
237 -4.7227 1.00000
238 -4.6481 1.00000
239 -4.6154 1.00000
240 -4.5290 1.00000
241 -4.5251 1.00000
242 -4.5056 1.00000
243 -4.5043 1.00000
244 -4.3818 1.00000
245 -4.3590 1.00000
246 -4.2821 1.00000
247 -4.1942 1.00000
248 -4.1798 1.00000
249 -4.0909 1.00000
250 -4.0625 1.00000
251 -4.0250 1.00000
252 -3.9919 1.00000
253 -3.9456 1.00000
254 -3.9362 1.00000
255 -3.9285 1.00000
256 -3.8610 1.00000
257 -3.8556 1.00000
258 -3.8272 1.00000
259 -3.7809 1.00000
260 -3.7624 1.00000
261 -3.7358 1.00000
262 -3.6788 1.00000
263 -3.6440 1.00000
264 -3.6100 1.00000
265 -3.5670 1.00000
266 -3.5332 1.00000
267 -3.5264 1.00000
268 -3.5185 1.00000
269 -3.5166 1.00000
270 -3.4552 1.00000
271 -3.3988 1.00000
272 -3.3586 1.00000
273 -3.3220 1.00000
274 -3.3067 1.00000
275 -3.2638 1.00000
276 -3.2496 1.00000
277 -3.1889 1.00000
278 -3.1777 1.00000
279 -3.1726 1.00000
280 -3.1407 1.00000
281 -3.1367 1.00000
282 -3.0750 1.00000
283 -3.0698 1.00000
284 -3.0381 1.00000
285 -3.0375 1.00000
286 -2.9460 1.00000
287 -2.9104 1.00000
288 -2.8832 1.00000
289 -2.8787 1.00000
290 -2.8561 1.00000
291 -2.8369 1.00000
292 -2.7985 1.00000
293 -2.7841 1.00000
294 -2.7824 1.00000
295 -2.7645 1.00000
296 -2.7605 1.00000
297 -2.7458 1.00000
298 -2.6991 1.00000
299 -2.6767 1.00000
300 -2.6767 1.00000
301 -2.6003 1.00000
302 -2.5993 1.00000
303 -2.5981 1.00000
304 -2.5596 1.00000
305 -2.4850 1.00000
306 -2.4719 1.00000
307 -2.4363 1.00000
308 -2.4350 1.00000
309 -2.3639 1.00000
310 -2.3592 1.00000
311 -2.3339 1.00000
312 -2.3273 1.00000
313 -2.2502 1.00000
314 -2.2138 1.00000
315 -2.1751 1.00000
316 -2.1467 1.00000
317 -2.1426 1.00000
318 -2.1378 1.00000
319 -2.0863 1.00000
320 -1.9935 1.00000
321 0.6597 0.00000
322 0.8841 0.00000
323 0.8935 0.00000
324 0.9214 0.00000
325 1.0398 0.00000
326 1.0701 0.00000
327 1.0738 0.00000
328 1.1158 0.00000
329 1.1352 0.00000
330 1.3260 0.00000
331 1.3792 0.00000
332 1.4140 0.00000
333 1.4354 0.00000
334 1.4359 0.00000
335 1.4982 0.00000
336 1.5170 0.00000
337 1.5320 0.00000
338 1.6116 0.00000
339 1.7039 0.00000
340 1.7336 0.00000
341 1.8970 0.00000
342 1.9039 0.00000
343 1.9668 0.00000
344 1.9702 0.00000
345 2.0462 0.00000
346 2.1081 0.00000
347 2.1255 0.00000
348 2.1396 0.00000
349 2.2321 0.00000
350 2.2562 0.00000
351 2.3276 0.00000
352 2.3464 0.00000
353 2.3478 0.00000
354 2.4984 0.00000
355 2.6378 0.00000
356 2.6759 0.00000
357 2.7675 0.00000
358 2.8356 0.00000
359 2.8977 0.00000
360 2.9131 0.00000
361 2.9873 0.00000
362 3.0298 0.00000
363 3.0339 0.00000
364 3.0776 0.00000
365 3.1348 0.00000
366 3.2267 0.00000
367 3.2309 0.00000
368 3.3768 0.00000
369 3.4563 0.00000
370 3.5191 0.00000
371 3.5247 0.00000
372 3.5406 0.00000
373 3.6731 0.00000
374 3.8103 0.00000
375 3.8251 0.00000
376 3.8351 0.00000
377 3.8554 0.00000
378 3.9756 0.00000
379 4.0171 0.00000
380 4.0220 0.00000
381 4.0941 0.00000
382 4.0972 0.00000
383 4.1038 0.00000
384 4.2555 0.00000
385 4.2584 0.00000
386 4.3434 0.00000
387 4.3715 0.00000
388 4.4011 0.00000
389 4.4084 0.00000
390 4.5037 0.00000
391 4.5795 0.00000
392 4.6263 0.00000
393 4.7312 0.00000
394 4.7457 0.00000
395 4.8255 0.00000
396 4.8636 0.00000
397 4.9072 0.00000
398 4.9101 0.00000
399 4.9506 0.00000
400 4.9726 0.00000
401 4.9962 0.00000
402 5.0303 0.00000
403 5.0377 0.00000
404 5.1066 0.00000
405 5.1513 0.00000
406 5.1553 0.00000
407 5.1803 0.00000
408 5.2453 0.00000
409 5.3275 0.00000
410 5.3543 0.00000
411 5.4221 0.00000
412 5.4457 0.00000
413 5.4996 0.00000
414 5.5194 0.00000
415 5.5319 0.00000
416 5.6127 0.00000
417 5.6283 0.00000
418 5.6579 0.00000
419 5.6713 0.00000
420 5.6974 0.00000
421 5.7970 0.00000
422 5.7977 0.00000
423 5.8346 0.00000
424 5.8820 0.00000
425 5.9313 0.00000
426 5.9830 0.00000
427 6.0724 0.00000
428 6.1322 0.00000
429 6.3043 0.00000
430 6.3137 0.00000
431 6.3485 0.00000
432 6.5229 0.00000
433 6.6074 0.00000
434 6.6097 0.00000
435 6.6551 0.00000
436 6.6662 0.00000
437 6.6853 0.00000
438 6.7865 0.00000
439 6.8057 0.00000
440 7.1091 0.00000
441 7.1388 0.00000
442 7.1766 0.00000
443 7.1906 0.00000
444 7.2074 0.00000
445 7.2102 0.00000
446 7.2369 0.00000
447 7.2607 0.00000
448 7.4000 0.00000
449 7.4359 0.00000
450 7.5932 0.00000
451 7.7496 0.00000
452 7.8424 0.00000
453 7.8433 0.00000
454 7.8545 0.00000
455 7.8925 0.00000
456 7.9324 0.00000
457 7.9837 0.00000
458 8.0462 0.00000
459 8.1651 0.00000
460 8.1774 0.00000
461 8.2299 0.00000
462 8.2513 0.00000
463 8.2670 0.00000
464 8.3391 0.00000
465 8.3601 0.00000
466 8.4368 0.00000
467 8.4709 0.00000
468 8.4719 0.00000
469 8.5374 0.00000
470 8.5747 0.00000
471 8.6017 0.00000
472 8.8317 0.00000
473 8.9670 0.00000
474 8.9696 0.00000
475 9.1268 0.00000
476 9.1404 0.00000
477 9.3350 0.00000
478 9.4911 0.00000
479 9.5381 0.00000
480 9.7702 0.00000
k-point 15 : 0.2500 0.2500 0.5000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3977 1.00000
3 -76.3970 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3924 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7497 1.00000
10 -40.7477 1.00000
11 -40.7475 1.00000
12 -40.7453 1.00000
13 -40.7432 1.00000
14 -40.7410 1.00000
15 -40.7400 1.00000
16 -40.7383 1.00000
17 -40.7276 1.00000
18 -40.7243 1.00000
19 -40.7238 1.00000
20 -40.7189 1.00000
21 -40.7168 1.00000
22 -40.7168 1.00000
23 -40.7128 1.00000
24 -40.7099 1.00000
25 -40.6667 1.00000
26 -40.6631 1.00000
27 -40.6598 1.00000
28 -40.6586 1.00000
29 -40.6561 1.00000
30 -40.6558 1.00000
31 -40.6516 1.00000
32 -40.6489 1.00000
33 -24.0200 1.00000
34 -24.0090 1.00000
35 -24.0075 1.00000
36 -24.0039 1.00000
37 -24.0009 1.00000
38 -23.9987 1.00000
39 -23.9970 1.00000
40 -23.9953 1.00000
41 -23.9941 1.00000
42 -23.9936 1.00000
43 -23.9887 1.00000
44 -23.9850 1.00000
45 -23.9832 1.00000
46 -23.9805 1.00000
47 -23.9775 1.00000
48 -23.9761 1.00000
49 -23.8789 1.00000
50 -23.8779 1.00000
51 -23.8584 1.00000
52 -23.8542 1.00000
53 -23.8428 1.00000
54 -23.8367 1.00000
55 -23.8260 1.00000
56 -23.8183 1.00000
57 -23.7933 1.00000
58 -23.7907 1.00000
59 -23.7894 1.00000
60 -23.7872 1.00000
61 -23.7830 1.00000
62 -23.7820 1.00000
63 -23.7805 1.00000
64 -23.7790 1.00000
65 -23.7773 1.00000
66 -23.7756 1.00000
67 -23.7714 1.00000
68 -23.7684 1.00000
69 -23.7644 1.00000
70 -23.7640 1.00000
71 -23.7612 1.00000
72 -23.7609 1.00000
73 -23.7583 1.00000
74 -23.7570 1.00000
75 -23.7418 1.00000
76 -23.7399 1.00000
77 -23.7344 1.00000
78 -23.7312 1.00000
79 -23.7247 1.00000
80 -23.7213 1.00000
81 -23.7199 1.00000
82 -23.7194 1.00000
83 -23.7194 1.00000
84 -23.7185 1.00000
85 -23.7159 1.00000
86 -23.7142 1.00000
87 -23.7131 1.00000
88 -23.7127 1.00000
89 -23.7110 1.00000
90 -23.7099 1.00000
91 -23.7086 1.00000
92 -23.7055 1.00000
93 -23.6877 1.00000
94 -23.6860 1.00000
95 -23.6790 1.00000
96 -23.6763 1.00000
97 -23.6343 1.00000
98 -23.6328 1.00000
99 -23.6239 1.00000
100 -23.6233 1.00000
101 -23.6177 1.00000
102 -23.6166 1.00000
103 -23.6127 1.00000
104 -23.6101 1.00000
105 -23.5970 1.00000
106 -23.5936 1.00000
107 -23.5931 1.00000
108 -23.5881 1.00000
109 -23.5850 1.00000
110 -23.5798 1.00000
111 -23.5729 1.00000
112 -23.5650 1.00000
113 -20.2269 1.00000
114 -20.0110 1.00000
115 -19.9454 1.00000
116 -19.7980 1.00000
117 -19.6249 1.00000
118 -19.5792 1.00000
119 -19.5151 1.00000
120 -19.5102 1.00000
121 -19.3623 1.00000
122 -19.2957 1.00000
123 -19.2777 1.00000
124 -19.2558 1.00000
125 -19.2442 1.00000
126 -19.2395 1.00000
127 -19.1571 1.00000
128 -19.1226 1.00000
129 -18.9080 1.00000
130 -18.8712 1.00000
131 -18.8711 1.00000
132 -18.8548 1.00000
133 -18.8348 1.00000
134 -18.7712 1.00000
135 -18.7660 1.00000
136 -18.7063 1.00000
137 -18.6625 1.00000
138 -18.6155 1.00000
139 -18.5752 1.00000
140 -18.5562 1.00000
141 -18.4787 1.00000
142 -18.4710 1.00000
143 -18.4257 1.00000
144 -18.4178 1.00000
145 -18.3144 1.00000
146 -18.3051 1.00000
147 -18.2911 1.00000
148 -18.2724 1.00000
149 -18.2413 1.00000
150 -18.2332 1.00000
151 -18.2132 1.00000
152 -18.2084 1.00000
153 -17.9652 1.00000
154 -17.9624 1.00000
155 -17.9168 1.00000
156 -17.9161 1.00000
157 -17.6166 1.00000
158 -17.5983 1.00000
159 -17.5641 1.00000
160 -17.5617 1.00000
161 -11.7026 1.00000
162 -11.6572 1.00000
163 -11.5302 1.00000
164 -11.5142 1.00000
165 -11.2704 1.00000
166 -11.2555 1.00000
167 -11.1483 1.00000
168 -11.1032 1.00000
169 -10.6547 1.00000
170 -10.5878 1.00000
171 -10.5642 1.00000
172 -10.5056 1.00000
173 -10.1709 1.00000
174 -10.1484 1.00000
175 -10.0382 1.00000
176 -9.9787 1.00000
177 -7.4525 1.00000
178 -7.3487 1.00000
179 -7.3184 1.00000
180 -7.2521 1.00000
181 -7.2015 1.00000
182 -7.1793 1.00000
183 -7.0826 1.00000
184 -7.0812 1.00000
185 -7.0527 1.00000
186 -6.9923 1.00000
187 -6.9641 1.00000
188 -6.9017 1.00000
189 -6.8918 1.00000
190 -6.8845 1.00000
191 -6.7687 1.00000
192 -6.6596 1.00000
193 -6.6079 1.00000
194 -6.5867 1.00000
195 -6.5431 1.00000
196 -6.4606 1.00000
197 -6.3711 1.00000
198 -6.3619 1.00000
199 -6.3287 1.00000
200 -6.2702 1.00000
201 -6.2700 1.00000
202 -6.1726 1.00000
203 -6.1581 1.00000
204 -6.1491 1.00000
205 -6.0913 1.00000
206 -6.0347 1.00000
207 -6.0089 1.00000
208 -6.0054 1.00000
209 -5.9909 1.00000
210 -5.9696 1.00000
211 -5.9152 1.00000
212 -5.8693 1.00000
213 -5.8500 1.00000
214 -5.8446 1.00000
215 -5.7301 1.00000
216 -5.6795 1.00000
217 -5.6691 1.00000
218 -5.6379 1.00000
219 -5.5609 1.00000
220 -5.5527 1.00000
221 -5.4970 1.00000
222 -5.4387 1.00000
223 -5.4301 1.00000
224 -5.3527 1.00000
225 -5.2839 1.00000
226 -5.2006 1.00000
227 -5.1408 1.00000
228 -5.1317 1.00000
229 -4.9538 1.00000
230 -4.9069 1.00000
231 -4.8866 1.00000
232 -4.8725 1.00000
233 -4.8603 1.00000
234 -4.7802 1.00000
235 -4.7665 1.00000
236 -4.6827 1.00000
237 -4.6803 1.00000
238 -4.6175 1.00000
239 -4.5926 1.00000
240 -4.5881 1.00000
241 -4.4942 1.00000
242 -4.4750 1.00000
243 -4.3729 1.00000
244 -4.3710 1.00000
245 -4.3231 1.00000
246 -4.2420 1.00000
247 -4.2402 1.00000
248 -4.2310 1.00000
249 -4.1084 1.00000
250 -4.1065 1.00000
251 -4.0485 1.00000
252 -4.0455 1.00000
253 -3.9527 1.00000
254 -3.9390 1.00000
255 -3.9073 1.00000
256 -3.8359 1.00000
257 -3.8252 1.00000
258 -3.8241 1.00000
259 -3.8207 1.00000
260 -3.7336 1.00000
261 -3.6557 1.00000
262 -3.6433 1.00000
263 -3.6350 1.00000
264 -3.5877 1.00000
265 -3.5350 1.00000
266 -3.5311 1.00000
267 -3.4868 1.00000
268 -3.4823 1.00000
269 -3.4642 1.00000
270 -3.4420 1.00000
271 -3.4257 1.00000
272 -3.3511 1.00000
273 -3.3497 1.00000
274 -3.2855 1.00000
275 -3.2784 1.00000
276 -3.2413 1.00000
277 -3.2076 1.00000
278 -3.1986 1.00000
279 -3.1896 1.00000
280 -3.1225 1.00000
281 -3.1035 1.00000
282 -3.0935 1.00000
283 -3.0821 1.00000
284 -3.0324 1.00000
285 -2.9866 1.00000
286 -2.9648 1.00000
287 -2.9578 1.00000
288 -2.9080 1.00000
289 -2.8863 1.00000
290 -2.8735 1.00000
291 -2.8326 1.00000
292 -2.8200 1.00000
293 -2.7902 1.00000
294 -2.7881 1.00000
295 -2.7546 1.00000
296 -2.7466 1.00000
297 -2.7325 1.00000
298 -2.7096 1.00000
299 -2.6826 1.00000
300 -2.6818 1.00000
301 -2.6496 1.00000
302 -2.6422 1.00000
303 -2.6361 1.00000
304 -2.5541 1.00000
305 -2.5044 1.00000
306 -2.4720 1.00000
307 -2.4667 1.00000
308 -2.4484 1.00000
309 -2.4054 1.00000
310 -2.3317 1.00000
311 -2.3145 1.00000
312 -2.3102 1.00000
313 -2.3056 1.00000
314 -2.2980 1.00000
315 -2.1962 1.00000
316 -2.1860 1.00000
317 -2.1606 1.00000
318 -2.0802 1.00000
319 -2.0666 1.00000
320 -1.9706 1.00000
321 0.7251 0.00000
322 0.8916 0.00000
323 0.9183 0.00000
324 0.9806 0.00000
325 1.0362 0.00000
326 1.0907 0.00000
327 1.1103 0.00000
328 1.1160 0.00000
329 1.2082 0.00000
330 1.3179 0.00000
331 1.3443 0.00000
332 1.3658 0.00000
333 1.3760 0.00000
334 1.4162 0.00000
335 1.5125 0.00000
336 1.5629 0.00000
337 1.5795 0.00000
338 1.6633 0.00000
339 1.6719 0.00000
340 1.7805 0.00000
341 1.8165 0.00000
342 1.8263 0.00000
343 1.9509 0.00000
344 1.9734 0.00000
345 2.0508 0.00000
346 2.0669 0.00000
347 2.1290 0.00000
348 2.1461 0.00000
349 2.1591 0.00000
350 2.1741 0.00000
351 2.2726 0.00000
352 2.3553 0.00000
353 2.3722 0.00000
354 2.5384 0.00000
355 2.5756 0.00000
356 2.6782 0.00000
357 2.7465 0.00000
358 2.7727 0.00000
359 2.8630 0.00000
360 2.9065 0.00000
361 2.9348 0.00000
362 3.0032 0.00000
363 3.0391 0.00000
364 3.1835 0.00000
365 3.1892 0.00000
366 3.2568 0.00000
367 3.3802 0.00000
368 3.3838 0.00000
369 3.5134 0.00000
370 3.5539 0.00000
371 3.5729 0.00000
372 3.6570 0.00000
373 3.7064 0.00000
374 3.7734 0.00000
375 3.7775 0.00000
376 3.8688 0.00000
377 3.8741 0.00000
378 3.8917 0.00000
379 4.0822 0.00000
380 4.0900 0.00000
381 4.0909 0.00000
382 4.1223 0.00000
383 4.1522 0.00000
384 4.2274 0.00000
385 4.2563 0.00000
386 4.3343 0.00000
387 4.3592 0.00000
388 4.3815 0.00000
389 4.4956 0.00000
390 4.5186 0.00000
391 4.5449 0.00000
392 4.6434 0.00000
393 4.6786 0.00000
394 4.7457 0.00000
395 4.7767 0.00000
396 4.7893 0.00000
397 4.8199 0.00000
398 4.8269 0.00000
399 4.8852 0.00000
400 4.8958 0.00000
401 4.9440 0.00000
402 5.0167 0.00000
403 5.0273 0.00000
404 5.0636 0.00000
405 5.0924 0.00000
406 5.1518 0.00000
407 5.1626 0.00000
408 5.2788 0.00000
409 5.3050 0.00000
410 5.3382 0.00000
411 5.4127 0.00000
412 5.4231 0.00000
413 5.4834 0.00000
414 5.5012 0.00000
415 5.5415 0.00000
416 5.5863 0.00000
417 5.6879 0.00000
418 5.6945 0.00000
419 5.7500 0.00000
420 5.7650 0.00000
421 5.8224 0.00000
422 5.9000 0.00000
423 5.9391 0.00000
424 5.9835 0.00000
425 6.0908 0.00000
426 6.1069 0.00000
427 6.1312 0.00000
428 6.1448 0.00000
429 6.2134 0.00000
430 6.3468 0.00000
431 6.4113 0.00000
432 6.4147 0.00000
433 6.4803 0.00000
434 6.5896 0.00000
435 6.6678 0.00000
436 6.6866 0.00000
437 6.8700 0.00000
438 7.0155 0.00000
439 7.0577 0.00000
440 7.0589 0.00000
441 7.0978 0.00000
442 7.1084 0.00000
443 7.1374 0.00000
444 7.1547 0.00000
445 7.2437 0.00000
446 7.2779 0.00000
447 7.2912 0.00000
448 7.3633 0.00000
449 7.4262 0.00000
450 7.5189 0.00000
451 7.5943 0.00000
452 7.6618 0.00000
453 7.7112 0.00000
454 7.7293 0.00000
455 7.7613 0.00000
456 7.7878 0.00000
457 7.8516 0.00000
458 7.9298 0.00000
459 7.9356 0.00000
460 8.0954 0.00000
461 8.1593 0.00000
462 8.2631 0.00000
463 8.2966 0.00000
464 8.3092 0.00000
465 8.3173 0.00000
466 8.3705 0.00000
467 8.3821 0.00000
468 8.3910 0.00000
469 8.4970 0.00000
470 8.5790 0.00000
471 8.5796 0.00000
472 8.6316 0.00000
473 8.6484 0.00000
474 8.7619 0.00000
475 8.8136 0.00000
476 8.9355 0.00000
477 9.0073 0.00000
478 9.0085 0.00000
479 9.0739 0.00000
480 9.1594 0.00000
k-point 16 : -0.2500 0.2500 0.5000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3977 1.00000
3 -76.3970 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3924 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7498 1.00000
10 -40.7477 1.00000
11 -40.7476 1.00000
12 -40.7453 1.00000
13 -40.7428 1.00000
14 -40.7406 1.00000
15 -40.7403 1.00000
16 -40.7385 1.00000
17 -40.7277 1.00000
18 -40.7243 1.00000
19 -40.7240 1.00000
20 -40.7187 1.00000
21 -40.7167 1.00000
22 -40.7167 1.00000
23 -40.7129 1.00000
24 -40.7099 1.00000
25 -40.6667 1.00000
26 -40.6631 1.00000
27 -40.6598 1.00000
28 -40.6586 1.00000
29 -40.6560 1.00000
30 -40.6558 1.00000
31 -40.6516 1.00000
32 -40.6489 1.00000
33 -24.0200 1.00000
34 -24.0090 1.00000
35 -24.0075 1.00000
36 -24.0040 1.00000
37 -24.0008 1.00000
38 -23.9987 1.00000
39 -23.9969 1.00000
40 -23.9952 1.00000
41 -23.9941 1.00000
42 -23.9937 1.00000
43 -23.9887 1.00000
44 -23.9849 1.00000
45 -23.9832 1.00000
46 -23.9805 1.00000
47 -23.9776 1.00000
48 -23.9762 1.00000
49 -23.8789 1.00000
50 -23.8779 1.00000
51 -23.8584 1.00000
52 -23.8542 1.00000
53 -23.8428 1.00000
54 -23.8367 1.00000
55 -23.8259 1.00000
56 -23.8183 1.00000
57 -23.7932 1.00000
58 -23.7909 1.00000
59 -23.7894 1.00000
60 -23.7873 1.00000
61 -23.7827 1.00000
62 -23.7822 1.00000
63 -23.7805 1.00000
64 -23.7790 1.00000
65 -23.7773 1.00000
66 -23.7756 1.00000
67 -23.7713 1.00000
68 -23.7685 1.00000
69 -23.7644 1.00000
70 -23.7640 1.00000
71 -23.7612 1.00000
72 -23.7609 1.00000
73 -23.7584 1.00000
74 -23.7569 1.00000
75 -23.7418 1.00000
76 -23.7399 1.00000
77 -23.7344 1.00000
78 -23.7312 1.00000
79 -23.7247 1.00000
80 -23.7212 1.00000
81 -23.7198 1.00000
82 -23.7194 1.00000
83 -23.7194 1.00000
84 -23.7185 1.00000
85 -23.7159 1.00000
86 -23.7144 1.00000
87 -23.7130 1.00000
88 -23.7127 1.00000
89 -23.7110 1.00000
90 -23.7099 1.00000
91 -23.7086 1.00000
92 -23.7055 1.00000
93 -23.6878 1.00000
94 -23.6860 1.00000
95 -23.6790 1.00000
96 -23.6763 1.00000
97 -23.6343 1.00000
98 -23.6328 1.00000
99 -23.6240 1.00000
100 -23.6233 1.00000
101 -23.6177 1.00000
102 -23.6166 1.00000
103 -23.6127 1.00000
104 -23.6101 1.00000
105 -23.5970 1.00000
106 -23.5936 1.00000
107 -23.5931 1.00000
108 -23.5881 1.00000
109 -23.5850 1.00000
110 -23.5798 1.00000
111 -23.5729 1.00000
112 -23.5650 1.00000
113 -20.2270 1.00000
114 -20.0107 1.00000
115 -19.9451 1.00000
116 -19.7988 1.00000
117 -19.6253 1.00000
118 -19.5777 1.00000
119 -19.5162 1.00000
120 -19.5100 1.00000
121 -19.3615 1.00000
122 -19.2963 1.00000
123 -19.2779 1.00000
124 -19.2558 1.00000
125 -19.2441 1.00000
126 -19.2395 1.00000
127 -19.1572 1.00000
128 -19.1225 1.00000
129 -18.9076 1.00000
130 -18.8717 1.00000
131 -18.8715 1.00000
132 -18.8547 1.00000
133 -18.8345 1.00000
134 -18.7711 1.00000
135 -18.7662 1.00000
136 -18.7062 1.00000
137 -18.6623 1.00000
138 -18.6156 1.00000
139 -18.5752 1.00000
140 -18.5561 1.00000
141 -18.4787 1.00000
142 -18.4710 1.00000
143 -18.4256 1.00000
144 -18.4179 1.00000
145 -18.3143 1.00000
146 -18.3051 1.00000
147 -18.2910 1.00000
148 -18.2724 1.00000
149 -18.2412 1.00000
150 -18.2332 1.00000
151 -18.2132 1.00000
152 -18.2084 1.00000
153 -17.9652 1.00000
154 -17.9624 1.00000
155 -17.9169 1.00000
156 -17.9160 1.00000
157 -17.6166 1.00000
158 -17.5983 1.00000
159 -17.5641 1.00000
160 -17.5617 1.00000
161 -11.7027 1.00000
162 -11.6572 1.00000
163 -11.5301 1.00000
164 -11.5142 1.00000
165 -11.2703 1.00000
166 -11.2555 1.00000
167 -11.1483 1.00000
168 -11.1032 1.00000
169 -10.6548 1.00000
170 -10.5878 1.00000
171 -10.5642 1.00000
172 -10.5056 1.00000
173 -10.1709 1.00000
174 -10.1483 1.00000
175 -10.0382 1.00000
176 -9.9786 1.00000
177 -7.4533 1.00000
178 -7.3499 1.00000
179 -7.3178 1.00000
180 -7.2515 1.00000
181 -7.2000 1.00000
182 -7.1785 1.00000
183 -7.0834 1.00000
184 -7.0812 1.00000
185 -7.0527 1.00000
186 -6.9912 1.00000
187 -6.9639 1.00000
188 -6.9018 1.00000
189 -6.8924 1.00000
190 -6.8841 1.00000
191 -6.7694 1.00000
192 -6.6599 1.00000
193 -6.6090 1.00000
194 -6.5876 1.00000
195 -6.5425 1.00000
196 -6.4608 1.00000
197 -6.3715 1.00000
198 -6.3614 1.00000
199 -6.3288 1.00000
200 -6.2705 1.00000
201 -6.2705 1.00000
202 -6.1729 1.00000
203 -6.1584 1.00000
204 -6.1484 1.00000
205 -6.0913 1.00000
206 -6.0345 1.00000
207 -6.0078 1.00000
208 -6.0050 1.00000
209 -5.9907 1.00000
210 -5.9687 1.00000
211 -5.9143 1.00000
212 -5.8697 1.00000
213 -5.8499 1.00000
214 -5.8440 1.00000
215 -5.7299 1.00000
216 -5.6799 1.00000
217 -5.6695 1.00000
218 -5.6382 1.00000
219 -5.5618 1.00000
220 -5.5519 1.00000
221 -5.4976 1.00000
222 -5.4393 1.00000
223 -5.4292 1.00000
224 -5.3531 1.00000
225 -5.2839 1.00000
226 -5.2005 1.00000
227 -5.1413 1.00000
228 -5.1316 1.00000
229 -4.9539 1.00000
230 -4.9063 1.00000
231 -4.8867 1.00000
232 -4.8725 1.00000
233 -4.8602 1.00000
234 -4.7806 1.00000
235 -4.7665 1.00000
236 -4.6825 1.00000
237 -4.6800 1.00000
238 -4.6176 1.00000
239 -4.5923 1.00000
240 -4.5887 1.00000
241 -4.4941 1.00000
242 -4.4744 1.00000
243 -4.3736 1.00000
244 -4.3710 1.00000
245 -4.3234 1.00000
246 -4.2418 1.00000
247 -4.2400 1.00000
248 -4.2310 1.00000
249 -4.1084 1.00000
250 -4.1065 1.00000
251 -4.0489 1.00000
252 -4.0452 1.00000
253 -3.9525 1.00000
254 -3.9392 1.00000
255 -3.9071 1.00000
256 -3.8352 1.00000
257 -3.8253 1.00000
258 -3.8239 1.00000
259 -3.8205 1.00000
260 -3.7337 1.00000
261 -3.6559 1.00000
262 -3.6436 1.00000
263 -3.6351 1.00000
264 -3.5881 1.00000
265 -3.5348 1.00000
266 -3.5310 1.00000
267 -3.4868 1.00000
268 -3.4823 1.00000
269 -3.4644 1.00000
270 -3.4418 1.00000
271 -3.4258 1.00000
272 -3.3509 1.00000
273 -3.3501 1.00000
274 -3.2857 1.00000
275 -3.2784 1.00000
276 -3.2414 1.00000
277 -3.2075 1.00000
278 -3.1985 1.00000
279 -3.1899 1.00000
280 -3.1225 1.00000
281 -3.1038 1.00000
282 -3.0936 1.00000
283 -3.0818 1.00000
284 -3.0322 1.00000
285 -2.9864 1.00000
286 -2.9645 1.00000
287 -2.9579 1.00000
288 -2.9081 1.00000
289 -2.8864 1.00000
290 -2.8738 1.00000
291 -2.8325 1.00000
292 -2.8199 1.00000
293 -2.7902 1.00000
294 -2.7880 1.00000
295 -2.7548 1.00000
296 -2.7467 1.00000
297 -2.7323 1.00000
298 -2.7095 1.00000
299 -2.6825 1.00000
300 -2.6819 1.00000
301 -2.6493 1.00000
302 -2.6421 1.00000
303 -2.6364 1.00000
304 -2.5542 1.00000
305 -2.5042 1.00000
306 -2.4720 1.00000
307 -2.4664 1.00000
308 -2.4487 1.00000
309 -2.4056 1.00000
310 -2.3316 1.00000
311 -2.3145 1.00000
312 -2.3102 1.00000
313 -2.3053 1.00000
314 -2.2976 1.00000
315 -2.1965 1.00000
316 -2.1862 1.00000
317 -2.1609 1.00000
318 -2.0803 1.00000
319 -2.0666 1.00000
320 -1.9704 1.00000
321 0.7252 0.00000
322 0.8916 0.00000
323 0.9183 0.00000
324 0.9805 0.00000
325 1.0362 0.00000
326 1.0907 0.00000
327 1.1102 0.00000
328 1.1163 0.00000
329 1.2076 0.00000
330 1.3178 0.00000
331 1.3444 0.00000
332 1.3658 0.00000
333 1.3759 0.00000
334 1.4165 0.00000
335 1.5127 0.00000
336 1.5630 0.00000
337 1.5792 0.00000
338 1.6633 0.00000
339 1.6721 0.00000
340 1.7805 0.00000
341 1.8165 0.00000
342 1.8265 0.00000
343 1.9510 0.00000
344 1.9737 0.00000
345 2.0506 0.00000
346 2.0671 0.00000
347 2.1288 0.00000
348 2.1459 0.00000
349 2.1587 0.00000
350 2.1741 0.00000
351 2.2727 0.00000
352 2.3553 0.00000
353 2.3723 0.00000
354 2.5387 0.00000
355 2.5755 0.00000
356 2.6785 0.00000
357 2.7465 0.00000
358 2.7728 0.00000
359 2.8629 0.00000
360 2.9061 0.00000
361 2.9346 0.00000
362 3.0033 0.00000
363 3.0395 0.00000
364 3.1836 0.00000
365 3.1895 0.00000
366 3.2561 0.00000
367 3.3802 0.00000
368 3.3839 0.00000
369 3.5141 0.00000
370 3.5539 0.00000
371 3.5729 0.00000
372 3.6566 0.00000
373 3.7056 0.00000
374 3.7731 0.00000
375 3.7778 0.00000
376 3.8688 0.00000
377 3.8746 0.00000
378 3.8919 0.00000
379 4.0815 0.00000
380 4.0899 0.00000
381 4.0914 0.00000
382 4.1225 0.00000
383 4.1523 0.00000
384 4.2285 0.00000
385 4.2556 0.00000
386 4.3345 0.00000
387 4.3588 0.00000
388 4.3815 0.00000
389 4.4957 0.00000
390 4.5184 0.00000
391 4.5448 0.00000
392 4.6433 0.00000
393 4.6785 0.00000
394 4.7458 0.00000
395 4.7768 0.00000
396 4.7891 0.00000
397 4.8197 0.00000
398 4.8272 0.00000
399 4.8851 0.00000
400 4.8960 0.00000
401 4.9439 0.00000
402 5.0167 0.00000
403 5.0275 0.00000
404 5.0634 0.00000
405 5.0926 0.00000
406 5.1518 0.00000
407 5.1625 0.00000
408 5.2788 0.00000
409 5.3050 0.00000
410 5.3382 0.00000
411 5.4128 0.00000
412 5.4233 0.00000
413 5.4833 0.00000
414 5.5016 0.00000
415 5.5413 0.00000
416 5.5861 0.00000
417 5.6880 0.00000
418 5.6945 0.00000
419 5.7501 0.00000
420 5.7650 0.00000
421 5.8224 0.00000
422 5.9001 0.00000
423 5.9391 0.00000
424 5.9832 0.00000
425 6.0908 0.00000
426 6.1071 0.00000
427 6.1313 0.00000
428 6.1448 0.00000
429 6.2134 0.00000
430 6.3466 0.00000
431 6.4113 0.00000
432 6.4147 0.00000
433 6.4803 0.00000
434 6.5895 0.00000
435 6.6678 0.00000
436 6.6867 0.00000
437 6.8701 0.00000
438 7.0154 0.00000
439 7.0589 0.00000
440 7.0615 0.00000
441 7.0979 0.00000
442 7.1086 0.00000
443 7.1533 0.00000
444 7.1536 0.00000
445 7.2439 0.00000
446 7.2792 0.00000
447 7.2912 0.00000
448 7.3634 0.00000
449 7.5550 0.00000
450 7.6273 0.00000
451 7.6384 0.00000
452 7.6703 0.00000
453 7.7260 0.00000
454 7.7751 0.00000
455 7.8048 0.00000
456 7.8626 0.00000
457 7.9332 0.00000
458 8.0368 0.00000
459 8.0772 0.00000
460 8.2173 0.00000
461 8.3091 0.00000
462 8.3305 0.00000
463 8.3784 0.00000
464 8.4099 0.00000
465 8.4215 0.00000
466 8.5097 0.00000
467 8.5362 0.00000
468 8.6884 0.00000
469 8.8034 0.00000
470 8.8187 0.00000
471 8.8454 0.00000
472 9.0329 0.00000
473 9.1063 0.00000
474 9.2185 0.00000
475 9.4936 0.00000
476 9.5459 0.00000
477 9.5624 0.00000
478 9.9102 0.00000
479 10.1820 0.00000
480 10.7491 0.00000
k-point 17 : 0.5000 0.2500 0.5000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3977 1.00000
3 -76.3970 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3924 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7490 1.00000
10 -40.7483 1.00000
11 -40.7474 1.00000
12 -40.7461 1.00000
13 -40.7421 1.00000
14 -40.7417 1.00000
15 -40.7394 1.00000
16 -40.7389 1.00000
17 -40.7280 1.00000
18 -40.7248 1.00000
19 -40.7228 1.00000
20 -40.7199 1.00000
21 -40.7163 1.00000
22 -40.7155 1.00000
23 -40.7130 1.00000
24 -40.7106 1.00000
25 -40.6667 1.00000
26 -40.6631 1.00000
27 -40.6599 1.00000
28 -40.6586 1.00000
29 -40.6561 1.00000
30 -40.6557 1.00000
31 -40.6516 1.00000
32 -40.6489 1.00000
33 -24.0150 1.00000
34 -24.0146 1.00000
35 -24.0033 1.00000
36 -24.0030 1.00000
37 -24.0029 1.00000
38 -24.0005 1.00000
39 -23.9963 1.00000
40 -23.9959 1.00000
41 -23.9947 1.00000
42 -23.9944 1.00000
43 -23.9884 1.00000
44 -23.9868 1.00000
45 -23.9816 1.00000
46 -23.9785 1.00000
47 -23.9785 1.00000
48 -23.9765 1.00000
49 -23.8787 1.00000
50 -23.8783 1.00000
51 -23.8581 1.00000
52 -23.8547 1.00000
53 -23.8400 1.00000
54 -23.8396 1.00000
55 -23.8238 1.00000
56 -23.8207 1.00000
57 -23.7923 1.00000
58 -23.7919 1.00000
59 -23.7887 1.00000
60 -23.7883 1.00000
61 -23.7827 1.00000
62 -23.7822 1.00000
63 -23.7789 1.00000
64 -23.7787 1.00000
65 -23.7786 1.00000
66 -23.7758 1.00000
67 -23.7709 1.00000
68 -23.7689 1.00000
69 -23.7639 1.00000
70 -23.7635 1.00000
71 -23.7619 1.00000
72 -23.7609 1.00000
73 -23.7578 1.00000
74 -23.7573 1.00000
75 -23.7411 1.00000
76 -23.7408 1.00000
77 -23.7342 1.00000
78 -23.7313 1.00000
79 -23.7239 1.00000
80 -23.7213 1.00000
81 -23.7199 1.00000
82 -23.7199 1.00000
83 -23.7195 1.00000
84 -23.7194 1.00000
85 -23.7152 1.00000
86 -23.7139 1.00000
87 -23.7137 1.00000
88 -23.7134 1.00000
89 -23.7098 1.00000
90 -23.7090 1.00000
91 -23.7084 1.00000
92 -23.7064 1.00000
93 -23.6835 1.00000
94 -23.6831 1.00000
95 -23.6824 1.00000
96 -23.6796 1.00000
97 -23.6308 1.00000
98 -23.6291 1.00000
99 -23.6287 1.00000
100 -23.6281 1.00000
101 -23.6156 1.00000
102 -23.6152 1.00000
103 -23.6150 1.00000
104 -23.6123 1.00000
105 -23.5952 1.00000
106 -23.5949 1.00000
107 -23.5917 1.00000
108 -23.5890 1.00000
109 -23.5786 1.00000
110 -23.5783 1.00000
111 -23.5732 1.00000
112 -23.5704 1.00000
113 -20.1413 1.00000
114 -20.1335 1.00000
115 -19.8864 1.00000
116 -19.8787 1.00000
117 -19.5449 1.00000
118 -19.5403 1.00000
119 -19.5382 1.00000
120 -19.5342 1.00000
121 -19.3293 1.00000
122 -19.3278 1.00000
123 -19.2664 1.00000
124 -19.2633 1.00000
125 -19.2573 1.00000
126 -19.2501 1.00000
127 -19.1400 1.00000
128 -19.1354 1.00000
129 -18.8906 1.00000
130 -18.8881 1.00000
131 -18.8229 1.00000
132 -18.8218 1.00000
133 -18.8196 1.00000
134 -18.8172 1.00000
135 -18.7707 1.00000
136 -18.7685 1.00000
137 -18.6353 1.00000
138 -18.6319 1.00000
139 -18.5649 1.00000
140 -18.5648 1.00000
141 -18.4698 1.00000
142 -18.4687 1.00000
143 -18.4252 1.00000
144 -18.4244 1.00000
145 -18.2969 1.00000
146 -18.2960 1.00000
147 -18.2953 1.00000
148 -18.2942 1.00000
149 -18.2403 1.00000
150 -18.2385 1.00000
151 -18.2084 1.00000
152 -18.2070 1.00000
153 -17.9644 1.00000
154 -17.9619 1.00000
155 -17.9173 1.00000
156 -17.9166 1.00000
157 -17.6081 1.00000
158 -17.6058 1.00000
159 -17.5632 1.00000
160 -17.5626 1.00000
161 -11.6169 1.00000
162 -11.6165 1.00000
163 -11.5936 1.00000
164 -11.5904 1.00000
165 -11.2128 1.00000
166 -11.2095 1.00000
167 -11.1820 1.00000
168 -11.1816 1.00000
169 -10.6221 1.00000
170 -10.6180 1.00000
171 -10.5343 1.00000
172 -10.5340 1.00000
173 -10.1560 1.00000
174 -10.1511 1.00000
175 -10.0080 1.00000
176 -10.0074 1.00000
177 -7.4007 1.00000
178 -7.3943 1.00000
179 -7.3013 1.00000
180 -7.2973 1.00000
181 -7.1579 1.00000
182 -7.1557 1.00000
183 -7.0784 1.00000
184 -7.0781 1.00000
185 -6.9970 1.00000
186 -6.9934 1.00000
187 -6.9372 1.00000
188 -6.9326 1.00000
189 -6.8635 1.00000
190 -6.8615 1.00000
191 -6.7716 1.00000
192 -6.7700 1.00000
193 -6.5843 1.00000
194 -6.5829 1.00000
195 -6.4803 1.00000
196 -6.4746 1.00000
197 -6.4443 1.00000
198 -6.4420 1.00000
199 -6.3259 1.00000
200 -6.3230 1.00000
201 -6.1653 1.00000
202 -6.1642 1.00000
203 -6.1486 1.00000
204 -6.1452 1.00000
205 -6.1010 1.00000
206 -6.0993 1.00000
207 -6.0759 1.00000
208 -6.0751 1.00000
209 -5.9083 1.00000
210 -5.9074 1.00000
211 -5.8725 1.00000
212 -5.8703 1.00000
213 -5.7698 1.00000
214 -5.7690 1.00000
215 -5.7684 1.00000
216 -5.7679 1.00000
217 -5.6861 1.00000
218 -5.6847 1.00000
219 -5.6168 1.00000
220 -5.6162 1.00000
221 -5.4639 1.00000
222 -5.4628 1.00000
223 -5.3745 1.00000
224 -5.3734 1.00000
225 -5.3301 1.00000
226 -5.3274 1.00000
227 -4.9945 1.00000
228 -4.9928 1.00000
229 -4.9921 1.00000
230 -4.9918 1.00000
231 -4.9022 1.00000
232 -4.9007 1.00000
233 -4.8511 1.00000
234 -4.8507 1.00000
235 -4.6925 1.00000
236 -4.6918 1.00000
237 -4.6730 1.00000
238 -4.6719 1.00000
239 -4.4697 1.00000
240 -4.4648 1.00000
241 -4.4609 1.00000
242 -4.4600 1.00000
243 -4.3639 1.00000
244 -4.3614 1.00000
245 -4.3054 1.00000
246 -4.3041 1.00000
247 -4.1926 1.00000
248 -4.1922 1.00000
249 -4.1691 1.00000
250 -4.1668 1.00000
251 -4.0504 1.00000
252 -4.0485 1.00000
253 -3.9788 1.00000
254 -3.9776 1.00000
255 -3.8339 1.00000
256 -3.8332 1.00000
257 -3.8033 1.00000
258 -3.8024 1.00000
259 -3.7348 1.00000
260 -3.7344 1.00000
261 -3.6787 1.00000
262 -3.6771 1.00000
263 -3.5852 1.00000
264 -3.5830 1.00000
265 -3.5369 1.00000
266 -3.5364 1.00000
267 -3.4928 1.00000
268 -3.4916 1.00000
269 -3.3929 1.00000
270 -3.3924 1.00000
271 -3.3723 1.00000
272 -3.3710 1.00000
273 -3.3109 1.00000
274 -3.3108 1.00000
275 -3.2790 1.00000
276 -3.2765 1.00000
277 -3.2311 1.00000
278 -3.2302 1.00000
279 -3.1289 1.00000
280 -3.1225 1.00000
281 -3.0783 1.00000
282 -3.0764 1.00000
283 -3.0367 1.00000
284 -3.0357 1.00000
285 -2.9904 1.00000
286 -2.9888 1.00000
287 -2.9186 1.00000
288 -2.9170 1.00000
289 -2.9163 1.00000
290 -2.9147 1.00000
291 -2.8398 1.00000
292 -2.8392 1.00000
293 -2.8016 1.00000
294 -2.8002 1.00000
295 -2.7699 1.00000
296 -2.7687 1.00000
297 -2.7380 1.00000
298 -2.7374 1.00000
299 -2.7058 1.00000
300 -2.7052 1.00000
301 -2.6825 1.00000
302 -2.6813 1.00000
303 -2.5581 1.00000
304 -2.5576 1.00000
305 -2.5118 1.00000
306 -2.5109 1.00000
307 -2.4982 1.00000
308 -2.4957 1.00000
309 -2.4453 1.00000
310 -2.4446 1.00000
311 -2.3095 1.00000
312 -2.3067 1.00000
313 -2.2502 1.00000
314 -2.2492 1.00000
315 -2.2353 1.00000
316 -2.2345 1.00000
317 -2.0943 1.00000
318 -2.0929 1.00000
319 -2.0242 1.00000
320 -2.0235 1.00000
321 0.8486 0.00000
322 0.8496 0.00000
323 0.9876 0.00000
324 0.9916 0.00000
325 1.0921 0.00000
326 1.0963 0.00000
327 1.1368 0.00000
328 1.1406 0.00000
329 1.2535 0.00000
330 1.2542 0.00000
331 1.2625 0.00000
332 1.2629 0.00000
333 1.4661 0.00000
334 1.4675 0.00000
335 1.5729 0.00000
336 1.5734 0.00000
337 1.5985 0.00000
338 1.5999 0.00000
339 1.7488 0.00000
340 1.7503 0.00000
341 1.7745 0.00000
342 1.7763 0.00000
343 1.9297 0.00000
344 1.9319 0.00000
345 2.0229 0.00000
346 2.0235 0.00000
347 2.1332 0.00000
348 2.1340 0.00000
349 2.1516 0.00000
350 2.1526 0.00000
351 2.2210 0.00000
352 2.2226 0.00000
353 2.4553 0.00000
354 2.4569 0.00000
355 2.7028 0.00000
356 2.7031 0.00000
357 2.7320 0.00000
358 2.7328 0.00000
359 2.7662 0.00000
360 2.7678 0.00000
361 3.0289 0.00000
362 3.0306 0.00000
363 3.1933 0.00000
364 3.1946 0.00000
365 3.2029 0.00000
366 3.2038 0.00000
367 3.4170 0.00000
368 3.4176 0.00000
369 3.5995 0.00000
370 3.6007 0.00000
371 3.6692 0.00000
372 3.6703 0.00000
373 3.7645 0.00000
374 3.7654 0.00000
375 3.7663 0.00000
376 3.7671 0.00000
377 3.9187 0.00000
378 3.9189 0.00000
379 4.1009 0.00000
380 4.1014 0.00000
381 4.1228 0.00000
382 4.1236 0.00000
383 4.2126 0.00000
384 4.2129 0.00000
385 4.3427 0.00000
386 4.3432 0.00000
387 4.4187 0.00000
388 4.4197 0.00000
389 4.4432 0.00000
390 4.4441 0.00000
391 4.5287 0.00000
392 4.5289 0.00000
393 4.6718 0.00000
394 4.6726 0.00000
395 4.7370 0.00000
396 4.7376 0.00000
397 4.8268 0.00000
398 4.8278 0.00000
399 4.8821 0.00000
400 4.8830 0.00000
401 4.9637 0.00000
402 4.9641 0.00000
403 5.0010 0.00000
404 5.0026 0.00000
405 5.0515 0.00000
406 5.0520 0.00000
407 5.1693 0.00000
408 5.1697 0.00000
409 5.3095 0.00000
410 5.3108 0.00000
411 5.4163 0.00000
412 5.4169 0.00000
413 5.5241 0.00000
414 5.5243 0.00000
415 5.6024 0.00000
416 5.6038 0.00000
417 5.6870 0.00000
418 5.6872 0.00000
419 5.7383 0.00000
420 5.7402 0.00000
421 5.8950 0.00000
422 5.8952 0.00000
423 5.9922 0.00000
424 5.9961 0.00000
425 6.0790 0.00000
426 6.0799 0.00000
427 6.3473 0.00000
428 6.3478 0.00000
429 6.4297 0.00000
430 6.4298 0.00000
431 6.5160 0.00000
432 6.5162 0.00000
433 6.5823 0.00000
434 6.5823 0.00000
435 6.7885 0.00000
436 6.7908 0.00000
437 6.9456 0.00000
438 6.9459 0.00000
439 6.9542 0.00000
440 6.9542 0.00000
441 7.0282 0.00000
442 7.0284 0.00000
443 7.0976 0.00000
444 7.0976 0.00000
445 7.1622 0.00000
446 7.1647 0.00000
447 7.3974 0.00000
448 7.3979 0.00000
449 7.4520 0.00000
450 7.4521 0.00000
451 7.5118 0.00000
452 7.5119 0.00000
453 7.5256 0.00000
454 7.5259 0.00000
455 7.7033 0.00000
456 7.7040 0.00000
457 7.9707 0.00000
458 8.0072 0.00000
459 8.0079 0.00000
460 8.0148 0.00000
461 8.1539 0.00000
462 8.1663 0.00000
463 8.1954 0.00000
464 8.1961 0.00000
465 8.2560 0.00000
466 8.3251 0.00000
467 8.3568 0.00000
468 8.3593 0.00000
469 8.5826 0.00000
470 8.5963 0.00000
471 8.6008 0.00000
472 8.6946 0.00000
473 8.7133 0.00000
474 8.7615 0.00000
475 8.8262 0.00000
476 8.8319 0.00000
477 8.9531 0.00000
478 8.9661 0.00000
479 9.0867 0.00000
480 9.1756 0.00000
k-point 18 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 -76.3978 1.00000
2 -76.3978 1.00000
3 -76.3968 1.00000
4 -76.3968 1.00000
5 -76.3925 1.00000
6 -76.3925 1.00000
7 -76.3911 1.00000
8 -76.3911 1.00000
9 -40.7474 1.00000
10 -40.7474 1.00000
11 -40.7463 1.00000
12 -40.7463 1.00000
13 -40.7422 1.00000
14 -40.7422 1.00000
15 -40.7416 1.00000
16 -40.7416 1.00000
17 -40.7258 1.00000
18 -40.7258 1.00000
19 -40.7204 1.00000
20 -40.7204 1.00000
21 -40.7167 1.00000
22 -40.7167 1.00000
23 -40.7114 1.00000
24 -40.7114 1.00000
25 -40.6652 1.00000
26 -40.6652 1.00000
27 -40.6582 1.00000
28 -40.6582 1.00000
29 -40.6569 1.00000
30 -40.6569 1.00000
31 -40.6500 1.00000
32 -40.6500 1.00000
33 -24.0104 1.00000
34 -24.0104 1.00000
35 -24.0053 1.00000
36 -24.0053 1.00000
37 -23.9970 1.00000
38 -23.9970 1.00000
39 -23.9968 1.00000
40 -23.9968 1.00000
41 -23.9957 1.00000
42 -23.9957 1.00000
43 -23.9902 1.00000
44 -23.9902 1.00000
45 -23.9816 1.00000
46 -23.9816 1.00000
47 -23.9782 1.00000
48 -23.9782 1.00000
49 -23.8664 1.00000
50 -23.8664 1.00000
51 -23.8611 1.00000
52 -23.8611 1.00000
53 -23.8463 1.00000
54 -23.8463 1.00000
55 -23.8407 1.00000
56 -23.8407 1.00000
57 -23.7874 1.00000
58 -23.7874 1.00000
59 -23.7863 1.00000
60 -23.7863 1.00000
61 -23.7849 1.00000
62 -23.7849 1.00000
63 -23.7808 1.00000
64 -23.7808 1.00000
65 -23.7722 1.00000
66 -23.7722 1.00000
67 -23.7687 1.00000
68 -23.7687 1.00000
69 -23.7652 1.00000
70 -23.7652 1.00000
71 -23.7643 1.00000
72 -23.7643 1.00000
73 -23.7454 1.00000
74 -23.7454 1.00000
75 -23.7436 1.00000
76 -23.7436 1.00000
77 -23.7241 1.00000
78 -23.7241 1.00000
79 -23.7210 1.00000
80 -23.7210 1.00000
81 -23.7187 1.00000
82 -23.7187 1.00000
83 -23.7177 1.00000
84 -23.7177 1.00000
85 -23.7123 1.00000
86 -23.7123 1.00000
87 -23.7067 1.00000
88 -23.7067 1.00000
89 -23.7035 1.00000
90 -23.7035 1.00000
91 -23.7022 1.00000
92 -23.7022 1.00000
93 -23.6971 1.00000
94 -23.6971 1.00000
95 -23.6966 1.00000
96 -23.6966 1.00000
97 -23.6287 1.00000
98 -23.6287 1.00000
99 -23.6282 1.00000
100 -23.6282 1.00000
101 -23.6172 1.00000
102 -23.6172 1.00000
103 -23.6154 1.00000
104 -23.6154 1.00000
105 -23.5923 1.00000
106 -23.5923 1.00000
107 -23.5880 1.00000
108 -23.5880 1.00000
109 -23.5804 1.00000
110 -23.5804 1.00000
111 -23.5734 1.00000
112 -23.5734 1.00000
113 -20.1443 1.00000
114 -20.1443 1.00000
115 -19.8479 1.00000
116 -19.8479 1.00000
117 -19.6515 1.00000
118 -19.6515 1.00000
119 -19.4451 1.00000
120 -19.4451 1.00000
121 -19.2890 1.00000
122 -19.2890 1.00000
123 -19.2635 1.00000
124 -19.2635 1.00000
125 -19.2523 1.00000
126 -19.2523 1.00000
127 -19.1860 1.00000
128 -19.1860 1.00000
129 -18.9009 1.00000
130 -18.9009 1.00000
131 -18.8695 1.00000
132 -18.8695 1.00000
133 -18.8127 1.00000
134 -18.8127 1.00000
135 -18.6745 1.00000
136 -18.6745 1.00000
137 -18.6214 1.00000
138 -18.6214 1.00000
139 -18.5620 1.00000
140 -18.5620 1.00000
141 -18.5264 1.00000
142 -18.5264 1.00000
143 -18.5154 1.00000
144 -18.5154 1.00000
145 -18.2756 1.00000
146 -18.2756 1.00000
147 -18.2733 1.00000
148 -18.2733 1.00000
149 -18.2654 1.00000
150 -18.2654 1.00000
151 -18.2414 1.00000
152 -18.2414 1.00000
153 -17.7677 1.00000
154 -17.7677 1.00000
155 -17.7471 1.00000
156 -17.7471 1.00000
157 -17.7172 1.00000
158 -17.7172 1.00000
159 -17.7166 1.00000
160 -17.7166 1.00000
161 -11.5578 1.00000
162 -11.5578 1.00000
163 -11.5301 1.00000
164 -11.5301 1.00000
165 -11.3470 1.00000
166 -11.3470 1.00000
167 -11.3094 1.00000
168 -11.3094 1.00000
169 -10.3681 1.00000
170 -10.3681 1.00000
171 -10.3391 1.00000
172 -10.3391 1.00000
173 -10.2345 1.00000
174 -10.2345 1.00000
175 -10.2285 1.00000
176 -10.2285 1.00000
177 -7.3244 1.00000
178 -7.3244 1.00000
179 -7.2881 1.00000
180 -7.2881 1.00000
181 -7.1791 1.00000
182 -7.1791 1.00000
183 -7.1145 1.00000
184 -7.1145 1.00000
185 -7.0512 1.00000
186 -7.0512 1.00000
187 -6.9699 1.00000
188 -6.9699 1.00000
189 -6.9383 1.00000
190 -6.9383 1.00000
191 -6.8491 1.00000
192 -6.8491 1.00000
193 -6.5739 1.00000
194 -6.5739 1.00000
195 -6.4193 1.00000
196 -6.4193 1.00000
197 -6.2733 1.00000
198 -6.2733 1.00000
199 -6.2222 1.00000
200 -6.2222 1.00000
201 -6.2000 1.00000
202 -6.2000 1.00000
203 -6.1552 1.00000
204 -6.1552 1.00000
205 -6.1215 1.00000
206 -6.1215 1.00000
207 -6.0283 1.00000
208 -6.0283 1.00000
209 -6.0040 1.00000
210 -6.0040 1.00000
211 -5.8240 1.00000
212 -5.8240 1.00000
213 -5.7804 1.00000
214 -5.7804 1.00000
215 -5.7387 1.00000
216 -5.7387 1.00000
217 -5.7245 1.00000
218 -5.7245 1.00000
219 -5.5627 1.00000
220 -5.5627 1.00000
221 -5.4696 1.00000
222 -5.4696 1.00000
223 -5.4190 1.00000
224 -5.4190 1.00000
225 -5.3217 1.00000
226 -5.3217 1.00000
227 -4.9691 1.00000
228 -4.9691 1.00000
229 -4.8948 1.00000
230 -4.8948 1.00000
231 -4.8605 1.00000
232 -4.8605 1.00000
233 -4.7890 1.00000
234 -4.7890 1.00000
235 -4.7594 1.00000
236 -4.7594 1.00000
237 -4.6600 1.00000
238 -4.6600 1.00000
239 -4.6447 1.00000
240 -4.6447 1.00000
241 -4.4807 1.00000
242 -4.4807 1.00000
243 -4.3746 1.00000
244 -4.3746 1.00000
245 -4.2988 1.00000
246 -4.2988 1.00000
247 -4.1787 1.00000
248 -4.1787 1.00000
249 -4.1132 1.00000
250 -4.1132 1.00000
251 -4.0500 1.00000
252 -4.0500 1.00000
253 -3.9248 1.00000
254 -3.9248 1.00000
255 -3.9200 1.00000
256 -3.9200 1.00000
257 -3.8482 1.00000
258 -3.8482 1.00000
259 -3.7797 1.00000
260 -3.7797 1.00000
261 -3.7107 1.00000
262 -3.7107 1.00000
263 -3.6567 1.00000
264 -3.6567 1.00000
265 -3.6297 1.00000
266 -3.6297 1.00000
267 -3.5450 1.00000
268 -3.5450 1.00000
269 -3.4804 1.00000
270 -3.4804 1.00000
271 -3.3756 1.00000
272 -3.3756 1.00000
273 -3.3364 1.00000
274 -3.3364 1.00000
275 -3.2699 1.00000
276 -3.2699 1.00000
277 -3.1903 1.00000
278 -3.1903 1.00000
279 -3.1297 1.00000
280 -3.1297 1.00000
281 -3.1080 1.00000
282 -3.1080 1.00000
283 -3.0487 1.00000
284 -3.0487 1.00000
285 -3.0455 1.00000
286 -3.0455 1.00000
287 -2.8667 1.00000
288 -2.8667 1.00000
289 -2.8322 1.00000
290 -2.8322 1.00000
291 -2.8278 1.00000
292 -2.8278 1.00000
293 -2.8239 1.00000
294 -2.8239 1.00000
295 -2.7624 1.00000
296 -2.7624 1.00000
297 -2.6744 1.00000
298 -2.6744 1.00000
299 -2.6349 1.00000
300 -2.6349 1.00000
301 -2.5617 1.00000
302 -2.5617 1.00000
303 -2.5423 1.00000
304 -2.5423 1.00000
305 -2.5012 1.00000
306 -2.5012 1.00000
307 -2.4516 1.00000
308 -2.4516 1.00000
309 -2.2675 1.00000
310 -2.2675 1.00000
311 -2.2488 1.00000
312 -2.2488 1.00000
313 -2.2187 1.00000
314 -2.2187 1.00000
315 -2.2120 1.00000
316 -2.2120 1.00000
317 -2.1532 1.00000
318 -2.1532 1.00000
319 -2.1348 1.00000
320 -2.1348 1.00000
321 0.8335 0.00000
322 0.8335 0.00000
323 0.8602 0.00000
324 0.8602 0.00000
325 0.9855 0.00000
326 0.9855 0.00000
327 1.1171 0.00000
328 1.1171 0.00000
329 1.2587 0.00000
330 1.2587 0.00000
331 1.4248 0.00000
332 1.4248 0.00000
333 1.4343 0.00000
334 1.4343 0.00000
335 1.5035 0.00000
336 1.5035 0.00000
337 1.6062 0.00000
338 1.6062 0.00000
339 1.6158 0.00000
340 1.6158 0.00000
341 1.9176 0.00000
342 1.9176 0.00000
343 2.0048 0.00000
344 2.0048 0.00000
345 2.0145 0.00000
346 2.0145 0.00000
347 2.1220 0.00000
348 2.1220 0.00000
349 2.1669 0.00000
350 2.1669 0.00000
351 2.2472 0.00000
352 2.2472 0.00000
353 2.5354 0.00000
354 2.5354 0.00000
355 2.7426 0.00000
356 2.7426 0.00000
357 2.8824 0.00000
358 2.8824 0.00000
359 2.8883 0.00000
360 2.8883 0.00000
361 2.8921 0.00000
362 2.8921 0.00000
363 3.0279 0.00000
364 3.0279 0.00000
365 3.1493 0.00000
366 3.1493 0.00000
367 3.3324 0.00000
368 3.3324 0.00000
369 3.5374 0.00000
370 3.5374 0.00000
371 3.6691 0.00000
372 3.6691 0.00000
373 3.7423 0.00000
374 3.7423 0.00000
375 3.7519 0.00000
376 3.7519 0.00000
377 3.8588 0.00000
378 3.8588 0.00000
379 4.0746 0.00000
380 4.0746 0.00000
381 4.1302 0.00000
382 4.1302 0.00000
383 4.2108 0.00000
384 4.2108 0.00000
385 4.3224 0.00000
386 4.3224 0.00000
387 4.3428 0.00000
388 4.3428 0.00000
389 4.4053 0.00000
390 4.4053 0.00000
391 4.6943 0.00000
392 4.6943 0.00000
393 4.6985 0.00000
394 4.6985 0.00000
395 4.8055 0.00000
396 4.8055 0.00000
397 4.9590 0.00000
398 4.9590 0.00000
399 4.9992 0.00000
400 4.9992 0.00000
401 5.0660 0.00000
402 5.0660 0.00000
403 5.0684 0.00000
404 5.0684 0.00000
405 5.1505 0.00000
406 5.1505 0.00000
407 5.2497 0.00000
408 5.2498 0.00000
409 5.2855 0.00000
410 5.2855 0.00000
411 5.3181 0.00000
412 5.3182 0.00000
413 5.3904 0.00000
414 5.3904 0.00000
415 5.4139 0.00000
416 5.4139 0.00000
417 5.6608 0.00000
418 5.6608 0.00000
419 5.7847 0.00000
420 5.7847 0.00000
421 5.8400 0.00000
422 5.8400 0.00000
423 5.8860 0.00000
424 5.8860 0.00000
425 6.0012 0.00000
426 6.0012 0.00000
427 6.0206 0.00000
428 6.0206 0.00000
429 6.3770 0.00000
430 6.3770 0.00000
431 6.5008 0.00000
432 6.5008 0.00000
433 6.7875 0.00000
434 6.7875 0.00000
435 6.8237 0.00000
436 6.8237 0.00000
437 6.8406 0.00000
438 6.8406 0.00000
439 6.8667 0.00000
440 6.8667 0.00000
441 7.0861 0.00000
442 7.0861 0.00000
443 7.1184 0.00000
444 7.1184 0.00000
445 7.2159 0.00000
446 7.2164 0.00000
447 7.4182 0.00000
448 7.4206 0.00000
449 7.4712 0.00000
450 7.4713 0.00000
451 7.8403 0.00000
452 7.8411 0.00000
453 7.8519 0.00000
454 7.9064 0.00000
455 7.9331 0.00000
456 7.9453 0.00000
457 8.0117 0.00000
458 8.0167 0.00000
459 8.0715 0.00000
460 8.1307 0.00000
461 8.1350 0.00000
462 8.1464 0.00000
463 8.1652 0.00000
464 8.1660 0.00000
465 8.3094 0.00000
466 8.4085 0.00000
467 8.4335 0.00000
468 8.4691 0.00000
469 8.5001 0.00000
470 8.6194 0.00000
471 8.6708 0.00000
472 8.8043 0.00000
473 8.9326 0.00000
474 9.0079 0.00000
475 9.0382 0.00000
476 9.1779 0.00000
477 9.1939 0.00000
478 9.2958 0.00000
479 9.4262 0.00000
480 9.4532 0.00000
k-point 19 : 0.2500 0.5000 0.5000
band No. band energies occupation
1 -76.3978 1.00000
2 -76.3978 1.00000
3 -76.3968 1.00000
4 -76.3968 1.00000
5 -76.3925 1.00000
6 -76.3925 1.00000
7 -76.3911 1.00000
8 -76.3911 1.00000
9 -40.7484 1.00000
10 -40.7483 1.00000
11 -40.7472 1.00000
12 -40.7471 1.00000
13 -40.7413 1.00000
14 -40.7410 1.00000
15 -40.7401 1.00000
16 -40.7399 1.00000
17 -40.7260 1.00000
18 -40.7259 1.00000
19 -40.7218 1.00000
20 -40.7216 1.00000
21 -40.7161 1.00000
22 -40.7160 1.00000
23 -40.7114 1.00000
24 -40.7114 1.00000
25 -40.6652 1.00000
26 -40.6652 1.00000
27 -40.6585 1.00000
28 -40.6584 1.00000
29 -40.6566 1.00000
30 -40.6566 1.00000
31 -40.6500 1.00000
32 -40.6500 1.00000
33 -24.0105 1.00000
34 -24.0104 1.00000
35 -24.0070 1.00000
36 -24.0070 1.00000
37 -23.9968 1.00000
38 -23.9968 1.00000
39 -23.9959 1.00000
40 -23.9958 1.00000
41 -23.9948 1.00000
42 -23.9948 1.00000
43 -23.9921 1.00000
44 -23.9921 1.00000
45 -23.9803 1.00000
46 -23.9803 1.00000
47 -23.9773 1.00000
48 -23.9773 1.00000
49 -23.8658 1.00000
50 -23.8658 1.00000
51 -23.8621 1.00000
52 -23.8621 1.00000
53 -23.8461 1.00000
54 -23.8461 1.00000
55 -23.8415 1.00000
56 -23.8415 1.00000
57 -23.7874 1.00000
58 -23.7874 1.00000
59 -23.7869 1.00000
60 -23.7866 1.00000
61 -23.7842 1.00000
62 -23.7839 1.00000
63 -23.7814 1.00000
64 -23.7812 1.00000
65 -23.7717 1.00000
66 -23.7716 1.00000
67 -23.7693 1.00000
68 -23.7691 1.00000
69 -23.7653 1.00000
70 -23.7651 1.00000
71 -23.7642 1.00000
72 -23.7642 1.00000
73 -23.7451 1.00000
74 -23.7451 1.00000
75 -23.7438 1.00000
76 -23.7437 1.00000
77 -23.7236 1.00000
78 -23.7236 1.00000
79 -23.7206 1.00000
80 -23.7205 1.00000
81 -23.7190 1.00000
82 -23.7189 1.00000
83 -23.7188 1.00000
84 -23.7187 1.00000
85 -23.7113 1.00000
86 -23.7113 1.00000
87 -23.7071 1.00000
88 -23.7071 1.00000
89 -23.7026 1.00000
90 -23.7026 1.00000
91 -23.7015 1.00000
92 -23.7014 1.00000
93 -23.6978 1.00000
94 -23.6978 1.00000
95 -23.6974 1.00000
96 -23.6974 1.00000
97 -23.6273 1.00000
98 -23.6273 1.00000
99 -23.6269 1.00000
100 -23.6269 1.00000
101 -23.6194 1.00000
102 -23.6194 1.00000
103 -23.6180 1.00000
104 -23.6180 1.00000
105 -23.5900 1.00000
106 -23.5900 1.00000
107 -23.5852 1.00000
108 -23.5852 1.00000
109 -23.5818 1.00000
110 -23.5818 1.00000
111 -23.5750 1.00000
112 -23.5750 1.00000
113 -20.1162 1.00000
114 -20.1161 1.00000
115 -19.9246 1.00000
116 -19.9242 1.00000
117 -19.5860 1.00000
118 -19.5852 1.00000
119 -19.4583 1.00000
120 -19.4577 1.00000
121 -19.2842 1.00000
122 -19.2840 1.00000
123 -19.2628 1.00000
124 -19.2628 1.00000
125 -19.2547 1.00000
126 -19.2547 1.00000
127 -19.1946 1.00000
128 -19.1945 1.00000
129 -18.8972 1.00000
130 -18.8966 1.00000
131 -18.8393 1.00000
132 -18.8390 1.00000
133 -18.8246 1.00000
134 -18.8245 1.00000
135 -18.7196 1.00000
136 -18.7195 1.00000
137 -18.5938 1.00000
138 -18.5937 1.00000
139 -18.5578 1.00000
140 -18.5578 1.00000
141 -18.5318 1.00000
142 -18.5316 1.00000
143 -18.5202 1.00000
144 -18.5200 1.00000
145 -18.2728 1.00000
146 -18.2728 1.00000
147 -18.2711 1.00000
148 -18.2709 1.00000
149 -18.2647 1.00000
150 -18.2643 1.00000
151 -18.2460 1.00000
152 -18.2459 1.00000
153 -17.7643 1.00000
154 -17.7643 1.00000
155 -17.7494 1.00000
156 -17.7494 1.00000
157 -17.7175 1.00000
158 -17.7175 1.00000
159 -17.7169 1.00000
160 -17.7169 1.00000
161 -11.5260 1.00000
162 -11.5260 1.00000
163 -11.5042 1.00000
164 -11.5042 1.00000
165 -11.3766 1.00000
166 -11.3765 1.00000
167 -11.3495 1.00000
168 -11.3495 1.00000
169 -10.3607 1.00000
170 -10.3606 1.00000
171 -10.3386 1.00000
172 -10.3386 1.00000
173 -10.2326 1.00000
174 -10.2326 1.00000
175 -10.2280 1.00000
176 -10.2279 1.00000
177 -7.3520 1.00000
178 -7.3511 1.00000
179 -7.3453 1.00000
180 -7.3446 1.00000
181 -7.0743 1.00000
182 -7.0739 1.00000
183 -7.0713 1.00000
184 -7.0709 1.00000
185 -7.0190 1.00000
186 -7.0181 1.00000
187 -7.0121 1.00000
188 -7.0120 1.00000
189 -6.8416 1.00000
190 -6.8414 1.00000
191 -6.8341 1.00000
192 -6.8329 1.00000
193 -6.6116 1.00000
194 -6.6107 1.00000
195 -6.5225 1.00000
196 -6.5222 1.00000
197 -6.3840 1.00000
198 -6.3831 1.00000
199 -6.2667 1.00000
200 -6.2661 1.00000
201 -6.1739 1.00000
202 -6.1734 1.00000
203 -6.1408 1.00000
204 -6.1407 1.00000
205 -6.1209 1.00000
206 -6.1205 1.00000
207 -6.0575 1.00000
208 -6.0566 1.00000
209 -5.9585 1.00000
210 -5.9585 1.00000
211 -5.8203 1.00000
212 -5.8199 1.00000
213 -5.7897 1.00000
214 -5.7896 1.00000
215 -5.7409 1.00000
216 -5.7409 1.00000
217 -5.7231 1.00000
218 -5.7224 1.00000
219 -5.6121 1.00000
220 -5.6120 1.00000
221 -5.4240 1.00000
222 -5.4228 1.00000
223 -5.3879 1.00000
224 -5.3868 1.00000
225 -5.2179 1.00000
226 -5.2177 1.00000
227 -5.0520 1.00000
228 -5.0519 1.00000
229 -4.9865 1.00000
230 -4.9862 1.00000
231 -4.8419 1.00000
232 -4.8419 1.00000
233 -4.7609 1.00000
234 -4.7606 1.00000
235 -4.7446 1.00000
236 -4.7441 1.00000
237 -4.6443 1.00000
238 -4.6436 1.00000
239 -4.5720 1.00000
240 -4.5718 1.00000
241 -4.4182 1.00000
242 -4.4181 1.00000
243 -4.4140 1.00000
244 -4.4138 1.00000
245 -4.2607 1.00000
246 -4.2605 1.00000
247 -4.2534 1.00000
248 -4.2531 1.00000
249 -4.0963 1.00000
250 -4.0958 1.00000
251 -4.0680 1.00000
252 -4.0679 1.00000
253 -4.0278 1.00000
254 -4.0275 1.00000
255 -3.9396 1.00000
256 -3.9396 1.00000
257 -3.8766 1.00000
258 -3.8762 1.00000
259 -3.7410 1.00000
260 -3.7407 1.00000
261 -3.6376 1.00000
262 -3.6375 1.00000
263 -3.5830 1.00000
264 -3.5830 1.00000
265 -3.5600 1.00000
266 -3.5599 1.00000
267 -3.5183 1.00000
268 -3.5182 1.00000
269 -3.4247 1.00000
270 -3.4242 1.00000
271 -3.3807 1.00000
272 -3.3807 1.00000
273 -3.3205 1.00000
274 -3.3203 1.00000
275 -3.2965 1.00000
276 -3.2960 1.00000
277 -3.1777 1.00000
278 -3.1775 1.00000
279 -3.1542 1.00000
280 -3.1540 1.00000
281 -3.1350 1.00000
282 -3.1346 1.00000
283 -3.0542 1.00000
284 -3.0540 1.00000
285 -3.0414 1.00000
286 -3.0411 1.00000
287 -2.9026 1.00000
288 -2.9023 1.00000
289 -2.8862 1.00000
290 -2.8860 1.00000
291 -2.8262 1.00000
292 -2.8260 1.00000
293 -2.8125 1.00000
294 -2.8122 1.00000
295 -2.7415 1.00000
296 -2.7412 1.00000
297 -2.6725 1.00000
298 -2.6724 1.00000
299 -2.6040 1.00000
300 -2.6036 1.00000
301 -2.5896 1.00000
302 -2.5895 1.00000
303 -2.5626 1.00000
304 -2.5624 1.00000
305 -2.5613 1.00000
306 -2.5610 1.00000
307 -2.4402 1.00000
308 -2.4402 1.00000
309 -2.3596 1.00000
310 -2.3595 1.00000
311 -2.2770 1.00000
312 -2.2766 1.00000
313 -2.2235 1.00000
314 -2.2233 1.00000
315 -2.1873 1.00000
316 -2.1873 1.00000
317 -2.1692 1.00000
318 -2.1690 1.00000
319 -2.0899 1.00000
320 -2.0897 1.00000
321 0.8678 0.00000
322 0.8679 0.00000
323 0.8791 0.00000
324 0.8792 0.00000
325 1.0359 0.00000
326 1.0361 0.00000
327 1.1211 0.00000
328 1.1212 0.00000
329 1.2545 0.00000
330 1.2546 0.00000
331 1.3540 0.00000
332 1.3540 0.00000
333 1.4458 0.00000
334 1.4459 0.00000
335 1.5530 0.00000
336 1.5530 0.00000
337 1.6335 0.00000
338 1.6336 0.00000
339 1.6481 0.00000
340 1.6484 0.00000
341 1.8017 0.00000
342 1.8018 0.00000
343 1.9537 0.00000
344 1.9537 0.00000
345 2.0081 0.00000
346 2.0085 0.00000
347 2.1083 0.00000
348 2.1086 0.00000
349 2.1220 0.00000
350 2.1221 0.00000
351 2.2876 0.00000
352 2.2879 0.00000
353 2.6323 0.00000
354 2.6323 0.00000
355 2.6485 0.00000
356 2.6486 0.00000
357 2.7356 0.00000
358 2.7361 0.00000
359 2.8173 0.00000
360 2.8174 0.00000
361 2.9532 0.00000
362 2.9536 0.00000
363 3.1341 0.00000
364 3.1345 0.00000
365 3.3217 0.00000
366 3.3220 0.00000
367 3.4060 0.00000
368 3.4063 0.00000
369 3.5825 0.00000
370 3.5826 0.00000
371 3.6525 0.00000
372 3.6533 0.00000
373 3.6998 0.00000
374 3.7001 0.00000
375 3.8503 0.00000
376 3.8506 0.00000
377 3.8968 0.00000
378 3.8970 0.00000
379 3.9995 0.00000
380 3.9999 0.00000
381 4.0848 0.00000
382 4.0856 0.00000
383 4.2121 0.00000
384 4.2126 0.00000
385 4.3120 0.00000
386 4.3123 0.00000
387 4.4336 0.00000
388 4.4337 0.00000
389 4.4512 0.00000
390 4.4512 0.00000
391 4.5353 0.00000
392 4.5356 0.00000
393 4.6301 0.00000
394 4.6307 0.00000
395 4.7848 0.00000
396 4.7851 0.00000
397 4.7974 0.00000
398 4.7974 0.00000
399 4.8571 0.00000
400 4.8572 0.00000
401 4.9629 0.00000
402 4.9634 0.00000
403 5.0323 0.00000
404 5.0324 0.00000
405 5.0596 0.00000
406 5.0597 0.00000
407 5.2102 0.00000
408 5.2104 0.00000
409 5.3514 0.00000
410 5.3515 0.00000
411 5.3913 0.00000
412 5.3915 0.00000
413 5.5360 0.00000
414 5.5361 0.00000
415 5.6053 0.00000
416 5.6054 0.00000
417 5.7251 0.00000
418 5.7253 0.00000
419 5.8384 0.00000
420 5.8384 0.00000
421 5.9084 0.00000
422 5.9084 0.00000
423 5.9101 0.00000
424 5.9104 0.00000
425 6.1047 0.00000
426 6.1048 0.00000
427 6.3237 0.00000
428 6.3237 0.00000
429 6.4312 0.00000
430 6.4312 0.00000
431 6.5271 0.00000
432 6.5271 0.00000
433 6.5869 0.00000
434 6.5869 0.00000
435 6.8227 0.00000
436 6.8228 0.00000
437 6.9160 0.00000
438 6.9160 0.00000
439 6.9296 0.00000
440 6.9296 0.00000
441 6.9934 0.00000
442 6.9935 0.00000
443 7.1326 0.00000
444 7.1326 0.00000
445 7.1657 0.00000
446 7.1658 0.00000
447 7.3981 0.00000
448 7.3981 0.00000
449 7.4576 0.00000
450 7.4577 0.00000
451 7.5272 0.00000
452 7.5272 0.00000
453 7.5620 0.00000
454 7.5623 0.00000
455 7.7264 0.00000
456 7.7289 0.00000
457 7.9507 0.00000
458 7.9573 0.00000
459 7.9882 0.00000
460 7.9889 0.00000
461 8.1529 0.00000
462 8.1595 0.00000
463 8.1686 0.00000
464 8.1690 0.00000
465 8.2529 0.00000
466 8.2556 0.00000
467 8.4635 0.00000
468 8.4768 0.00000
469 8.4868 0.00000
470 8.5598 0.00000
471 8.5906 0.00000
472 8.7178 0.00000
473 8.7218 0.00000
474 8.8080 0.00000
475 8.8367 0.00000
476 8.8493 0.00000
477 8.8749 0.00000
478 8.9601 0.00000
479 9.0088 0.00000
480 9.0731 0.00000
k-point 20 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 -76.3978 1.00000
2 -76.3978 1.00000
3 -76.3968 1.00000
4 -76.3968 1.00000
5 -76.3925 1.00000
6 -76.3925 1.00000
7 -76.3911 1.00000
8 -76.3911 1.00000
9 -40.7489 1.00000
10 -40.7489 1.00000
11 -40.7479 1.00000
12 -40.7479 1.00000
13 -40.7396 1.00000
14 -40.7396 1.00000
15 -40.7392 1.00000
16 -40.7392 1.00000
17 -40.7261 1.00000
18 -40.7261 1.00000
19 -40.7230 1.00000
20 -40.7230 1.00000
21 -40.7156 1.00000
22 -40.7156 1.00000
23 -40.7114 1.00000
24 -40.7114 1.00000
25 -40.6652 1.00000
26 -40.6652 1.00000
27 -40.6586 1.00000
28 -40.6586 1.00000
29 -40.6564 1.00000
30 -40.6564 1.00000
31 -40.6499 1.00000
32 -40.6499 1.00000
33 -24.0096 1.00000
34 -24.0096 1.00000
35 -24.0093 1.00000
36 -24.0093 1.00000
37 -23.9963 1.00000
38 -23.9963 1.00000
39 -23.9947 1.00000
40 -23.9947 1.00000
41 -23.9943 1.00000
42 -23.9943 1.00000
43 -23.9940 1.00000
44 -23.9940 1.00000
45 -23.9792 1.00000
46 -23.9792 1.00000
47 -23.9766 1.00000
48 -23.9766 1.00000
49 -23.8644 1.00000
50 -23.8644 1.00000
51 -23.8639 1.00000
52 -23.8639 1.00000
53 -23.8457 1.00000
54 -23.8457 1.00000
55 -23.8424 1.00000
56 -23.8424 1.00000
57 -23.7874 1.00000
58 -23.7874 1.00000
59 -23.7870 1.00000
60 -23.7870 1.00000
61 -23.7827 1.00000
62 -23.7827 1.00000
63 -23.7824 1.00000
64 -23.7824 1.00000
65 -23.7709 1.00000
66 -23.7709 1.00000
67 -23.7699 1.00000
68 -23.7699 1.00000
69 -23.7653 1.00000
70 -23.7653 1.00000
71 -23.7641 1.00000
72 -23.7641 1.00000
73 -23.7445 1.00000
74 -23.7445 1.00000
75 -23.7441 1.00000
76 -23.7441 1.00000
77 -23.7227 1.00000
78 -23.7227 1.00000
79 -23.7201 1.00000
80 -23.7201 1.00000
81 -23.7198 1.00000
82 -23.7198 1.00000
83 -23.7194 1.00000
84 -23.7194 1.00000
85 -23.7102 1.00000
86 -23.7102 1.00000
87 -23.7076 1.00000
88 -23.7076 1.00000
89 -23.7014 1.00000
90 -23.7014 1.00000
91 -23.6998 1.00000
92 -23.6998 1.00000
93 -23.6994 1.00000
94 -23.6994 1.00000
95 -23.6986 1.00000
96 -23.6986 1.00000
97 -23.6245 1.00000
98 -23.6245 1.00000
99 -23.6238 1.00000
100 -23.6238 1.00000
101 -23.6234 1.00000
102 -23.6234 1.00000
103 -23.6218 1.00000
104 -23.6218 1.00000
105 -23.5857 1.00000
106 -23.5857 1.00000
107 -23.5854 1.00000
108 -23.5854 1.00000
109 -23.5810 1.00000
110 -23.5810 1.00000
111 -23.5783 1.00000
112 -23.5783 1.00000
113 -20.0403 1.00000
114 -20.0403 1.00000
115 -20.0325 1.00000
116 -20.0325 1.00000
117 -19.5050 1.00000
118 -19.5050 1.00000
119 -19.5012 1.00000
120 -19.5012 1.00000
121 -19.2821 1.00000
122 -19.2821 1.00000
123 -19.2716 1.00000
124 -19.2716 1.00000
125 -19.2252 1.00000
126 -19.2252 1.00000
127 -19.2241 1.00000
128 -19.2241 1.00000
129 -18.8617 1.00000
130 -18.8617 1.00000
131 -18.8596 1.00000
132 -18.8596 1.00000
133 -18.7858 1.00000
134 -18.7858 1.00000
135 -18.7844 1.00000
136 -18.7844 1.00000
137 -18.5661 1.00000
138 -18.5661 1.00000
139 -18.5629 1.00000
140 -18.5629 1.00000
141 -18.5316 1.00000
142 -18.5316 1.00000
143 -18.5313 1.00000
144 -18.5313 1.00000
145 -18.2715 1.00000
146 -18.2715 1.00000
147 -18.2671 1.00000
148 -18.2671 1.00000
149 -18.2589 1.00000
150 -18.2589 1.00000
151 -18.2558 1.00000
152 -18.2558 1.00000
153 -17.7576 1.00000
154 -17.7576 1.00000
155 -17.7551 1.00000
156 -17.7551 1.00000
157 -17.7178 1.00000
158 -17.7178 1.00000
159 -17.7172 1.00000
160 -17.7172 1.00000
161 -11.4489 1.00000
162 -11.4489 1.00000
163 -11.4476 1.00000
164 -11.4476 1.00000
165 -11.4368 1.00000
166 -11.4368 1.00000
167 -11.4348 1.00000
168 -11.4348 1.00000
169 -10.3481 1.00000
170 -10.3481 1.00000
171 -10.3436 1.00000
172 -10.3436 1.00000
173 -10.2292 1.00000
174 -10.2292 1.00000
175 -10.2287 1.00000
176 -10.2287 1.00000
177 -7.3725 1.00000
178 -7.3725 1.00000
179 -7.3678 1.00000
180 -7.3678 1.00000
181 -7.0645 1.00000
182 -7.0645 1.00000
183 -7.0617 1.00000
184 -7.0617 1.00000
185 -6.9660 1.00000
186 -6.9660 1.00000
187 -6.9620 1.00000
188 -6.9620 1.00000
189 -6.7518 1.00000
190 -6.7518 1.00000
191 -6.7490 1.00000
192 -6.7490 1.00000
193 -6.6208 1.00000
194 -6.6208 1.00000
195 -6.6194 1.00000
196 -6.6194 1.00000
197 -6.4685 1.00000
198 -6.4685 1.00000
199 -6.4674 1.00000
200 -6.4674 1.00000
201 -6.1301 1.00000
202 -6.1301 1.00000
203 -6.1293 1.00000
204 -6.1293 1.00000
205 -6.1158 1.00000
206 -6.1158 1.00000
207 -6.1143 1.00000
208 -6.1143 1.00000
209 -5.8904 1.00000
210 -5.8904 1.00000
211 -5.8895 1.00000
212 -5.8895 1.00000
213 -5.7798 1.00000
214 -5.7798 1.00000
215 -5.7782 1.00000
216 -5.7782 1.00000
217 -5.5711 1.00000
218 -5.5711 1.00000
219 -5.5691 1.00000
220 -5.5691 1.00000
221 -5.4459 1.00000
222 -5.4459 1.00000
223 -5.4444 1.00000
224 -5.4444 1.00000
225 -5.0838 1.00000
226 -5.0838 1.00000
227 -5.0821 1.00000
228 -5.0821 1.00000
229 -4.9598 1.00000
230 -4.9598 1.00000
231 -4.9584 1.00000
232 -4.9584 1.00000
233 -4.7944 1.00000
234 -4.7944 1.00000
235 -4.7931 1.00000
236 -4.7931 1.00000
237 -4.5582 1.00000
238 -4.5582 1.00000
239 -4.5567 1.00000
240 -4.5567 1.00000
241 -4.3867 1.00000
242 -4.3867 1.00000
243 -4.3855 1.00000
244 -4.3855 1.00000
245 -4.2780 1.00000
246 -4.2780 1.00000
247 -4.2761 1.00000
248 -4.2761 1.00000
249 -4.0823 1.00000
250 -4.0823 1.00000
251 -4.0811 1.00000
252 -4.0811 1.00000
253 -3.9903 1.00000
254 -3.9903 1.00000
255 -3.9890 1.00000
256 -3.9890 1.00000
257 -3.8123 1.00000
258 -3.8123 1.00000
259 -3.8118 1.00000
260 -3.8118 1.00000
261 -3.5801 1.00000
262 -3.5801 1.00000
263 -3.5766 1.00000
264 -3.5766 1.00000
265 -3.5192 1.00000
266 -3.5192 1.00000
267 -3.5181 1.00000
268 -3.5181 1.00000
269 -3.3885 1.00000
270 -3.3885 1.00000
271 -3.3876 1.00000
272 -3.3876 1.00000
273 -3.2696 1.00000
274 -3.2696 1.00000
275 -3.2682 1.00000
276 -3.2682 1.00000
277 -3.1837 1.00000
278 -3.1837 1.00000
279 -3.1791 1.00000
280 -3.1791 1.00000
281 -3.0764 1.00000
282 -3.0764 1.00000
283 -3.0757 1.00000
284 -3.0757 1.00000
285 -3.0020 1.00000
286 -3.0020 1.00000
287 -3.0008 1.00000
288 -3.0008 1.00000
289 -2.8778 1.00000
290 -2.8778 1.00000
291 -2.8771 1.00000
292 -2.8771 1.00000
293 -2.7867 1.00000
294 -2.7867 1.00000
295 -2.7862 1.00000
296 -2.7862 1.00000
297 -2.6619 1.00000
298 -2.6619 1.00000
299 -2.6611 1.00000
300 -2.6611 1.00000
301 -2.6008 1.00000
302 -2.6008 1.00000
303 -2.5986 1.00000
304 -2.5986 1.00000
305 -2.4881 1.00000
306 -2.4881 1.00000
307 -2.4877 1.00000
308 -2.4877 1.00000
309 -2.3698 1.00000
310 -2.3698 1.00000
311 -2.3687 1.00000
312 -2.3687 1.00000
313 -2.1732 1.00000
314 -2.1732 1.00000
315 -2.1703 1.00000
316 -2.1703 1.00000
317 -2.1401 1.00000
318 -2.1401 1.00000
319 -2.1385 1.00000
320 -2.1385 1.00000
321 0.9077 0.00000
322 0.9077 0.00000
323 0.9095 0.00000
324 0.9095 0.00000
325 1.1228 0.00000
326 1.1228 0.00000
327 1.1241 0.00000
328 1.1241 0.00000
329 1.2213 0.00000
330 1.2213 0.00000
331 1.2233 0.00000
332 1.2233 0.00000
333 1.5834 0.00000
334 1.5834 0.00000
335 1.5837 0.00000
336 1.5837 0.00000
337 1.6501 0.00000
338 1.6501 0.00000
339 1.6519 0.00000
340 1.6519 0.00000
341 1.7778 0.00000
342 1.7778 0.00000
343 1.7783 0.00000
344 1.7783 0.00000
345 2.0772 0.00000
346 2.0772 0.00000
347 2.0783 0.00000
348 2.0783 0.00000
349 2.1514 0.00000
350 2.1514 0.00000
351 2.1526 0.00000
352 2.1526 0.00000
353 2.6030 0.00000
354 2.6030 0.00000
355 2.6039 0.00000
356 2.6039 0.00000
357 2.7818 0.00000
358 2.7818 0.00000
359 2.7833 0.00000
360 2.7833 0.00000
361 3.1763 0.00000
362 3.1763 0.00000
363 3.1767 0.00000
364 3.1767 0.00000
365 3.3771 0.00000
366 3.3771 0.00000
367 3.3778 0.00000
368 3.3778 0.00000
369 3.5973 0.00000
370 3.5973 0.00000
371 3.5990 0.00000
372 3.5990 0.00000
373 3.7967 0.00000
374 3.7967 0.00000
375 3.7970 0.00000
376 3.7970 0.00000
377 3.9408 0.00000
378 3.9408 0.00000
379 3.9414 0.00000
380 3.9414 0.00000
381 4.2335 0.00000
382 4.2335 0.00000
383 4.2343 0.00000
384 4.2343 0.00000
385 4.3331 0.00000
386 4.3331 0.00000
387 4.3334 0.00000
388 4.3334 0.00000
389 4.4819 0.00000
390 4.4819 0.00000
391 4.4822 0.00000
392 4.4822 0.00000
393 4.5607 0.00000
394 4.5607 0.00000
395 4.5619 0.00000
396 4.5619 0.00000
397 4.7982 0.00000
398 4.7982 0.00000
399 4.7996 0.00000
400 4.7996 0.00000
401 4.9148 0.00000
402 4.9148 0.00000
403 4.9154 0.00000
404 4.9154 0.00000
405 5.2048 0.00000
406 5.2048 0.00000
407 5.2051 0.00000
408 5.2051 0.00000
409 5.3459 0.00000
410 5.3459 0.00000
411 5.3464 0.00000
412 5.3464 0.00000
413 5.5401 0.00000
414 5.5401 0.00000
415 5.5404 0.00000
416 5.5404 0.00000
417 5.9128 0.00000
418 5.9128 0.00000
419 5.9147 0.00000
420 5.9147 0.00000
421 5.9870 0.00000
422 5.9870 0.00000
423 5.9879 0.00000
424 5.9879 0.00000
425 6.4934 0.00000
426 6.4934 0.00000
427 6.4935 0.00000
428 6.4935 0.00000
429 6.5423 0.00000
430 6.5423 0.00000
431 6.5424 0.00000
432 6.5424 0.00000
433 6.7658 0.00000
434 6.7658 0.00000
435 6.7659 0.00000
436 6.7659 0.00000
437 6.8786 0.00000
438 6.8786 0.00000
439 6.8790 0.00000
440 6.8790 0.00000
441 6.9479 0.00000
442 6.9479 0.00000
443 6.9506 0.00000
444 6.9506 0.00000
445 7.1626 0.00000
446 7.1626 0.00000
447 7.1626 0.00000
448 7.1626 0.00000
449 7.2972 0.00000
450 7.2973 0.00000
451 7.2973 0.00000
452 7.2973 0.00000
453 7.4714 0.00000
454 7.4714 0.00000
455 7.4716 0.00000
456 7.4716 0.00000
457 7.9594 0.00000
458 7.9594 0.00000
459 7.9599 0.00000
460 7.9601 0.00000
461 8.2387 0.00000
462 8.2511 0.00000
463 8.2516 0.00000
464 8.2590 0.00000
465 8.3079 0.00000
466 8.3096 0.00000
467 8.3207 0.00000
468 8.3216 0.00000
469 8.5444 0.00000
470 8.5564 0.00000
471 8.5688 0.00000
472 8.6656 0.00000
473 8.6922 0.00000
474 8.7179 0.00000
475 8.7421 0.00000
476 8.8033 0.00000
477 8.8503 0.00000
478 8.9487 0.00000
479 9.0300 0.00000
480 9.5289 0.00000
Fermi energy: -1.6649919832
spin component 2
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3975 1.00000
3 -76.3971 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3923 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7505 1.00000
10 -40.7499 1.00000
11 -40.7479 1.00000
12 -40.7454 1.00000
13 -40.7407 1.00000
14 -40.7401 1.00000
15 -40.7387 1.00000
16 -40.7370 1.00000
17 -40.7291 1.00000
18 -40.7247 1.00000
19 -40.7222 1.00000
20 -40.7215 1.00000
21 -40.7190 1.00000
22 -40.7145 1.00000
23 -40.7140 1.00000
24 -40.7084 1.00000
25 -40.6672 1.00000
26 -40.6610 1.00000
27 -40.6608 1.00000
28 -40.6603 1.00000
29 -40.6557 1.00000
30 -40.6541 1.00000
31 -40.6532 1.00000
32 -40.6483 1.00000
33 -24.0268 1.00000
34 -24.0150 1.00000
35 -24.0065 1.00000
36 -24.0016 1.00000
37 -24.0011 1.00000
38 -24.0010 1.00000
39 -23.9941 1.00000
40 -23.9935 1.00000
41 -23.9931 1.00000
42 -23.9927 1.00000
43 -23.9855 1.00000
44 -23.9855 1.00000
45 -23.9853 1.00000
46 -23.9766 1.00000
47 -23.9765 1.00000
48 -23.9764 1.00000
49 -23.8852 1.00000
50 -23.8810 1.00000
51 -23.8641 1.00000
52 -23.8564 1.00000
53 -23.8135 1.00000
54 -23.8131 1.00000
55 -23.8097 1.00000
56 -23.8093 1.00000
57 -23.7996 1.00000
58 -23.7994 1.00000
59 -23.7925 1.00000
60 -23.7925 1.00000
61 -23.7904 1.00000
62 -23.7868 1.00000
63 -23.7799 1.00000
64 -23.7757 1.00000
65 -23.7755 1.00000
66 -23.7745 1.00000
67 -23.7739 1.00000
68 -23.7730 1.00000
69 -23.7727 1.00000
70 -23.7668 1.00000
71 -23.7649 1.00000
72 -23.7595 1.00000
73 -23.7548 1.00000
74 -23.7543 1.00000
75 -23.7511 1.00000
76 -23.7511 1.00000
77 -23.7417 1.00000
78 -23.7388 1.00000
79 -23.7257 1.00000
80 -23.7224 1.00000
81 -23.7203 1.00000
82 -23.7189 1.00000
83 -23.7180 1.00000
84 -23.7180 1.00000
85 -23.7178 1.00000
86 -23.7168 1.00000
87 -23.7147 1.00000
88 -23.7142 1.00000
89 -23.7137 1.00000
90 -23.7098 1.00000
91 -23.7098 1.00000
92 -23.7043 1.00000
93 -23.6844 1.00000
94 -23.6820 1.00000
95 -23.6696 1.00000
96 -23.6664 1.00000
97 -23.6384 1.00000
98 -23.6363 1.00000
99 -23.6228 1.00000
100 -23.6219 1.00000
101 -23.6071 1.00000
102 -23.6057 1.00000
103 -23.6052 1.00000
104 -23.6042 1.00000
105 -23.6040 1.00000
106 -23.6036 1.00000
107 -23.6006 1.00000
108 -23.6004 1.00000
109 -23.5868 1.00000
110 -23.5821 1.00000
111 -23.5670 1.00000
112 -23.5584 1.00000
113 -20.2979 1.00000
114 -19.9505 1.00000
115 -19.7479 1.00000
116 -19.7476 1.00000
117 -19.7187 1.00000
118 -19.6490 1.00000
119 -19.6473 1.00000
120 -19.5269 1.00000
121 -19.3182 1.00000
122 -19.3172 1.00000
123 -19.2719 1.00000
124 -19.2697 1.00000
125 -19.2539 1.00000
126 -19.2273 1.00000
127 -19.1736 1.00000
128 -19.0442 1.00000
129 -18.9065 1.00000
130 -18.8902 1.00000
131 -18.8779 1.00000
132 -18.8773 1.00000
133 -18.8696 1.00000
134 -18.7439 1.00000
135 -18.7122 1.00000
136 -18.7053 1.00000
137 -18.7048 1.00000
138 -18.6261 1.00000
139 -18.5920 1.00000
140 -18.5644 1.00000
141 -18.3932 1.00000
142 -18.3927 1.00000
143 -18.3844 1.00000
144 -18.3838 1.00000
145 -18.3230 1.00000
146 -18.2977 1.00000
147 -18.2310 1.00000
148 -18.2254 1.00000
149 -18.2032 1.00000
150 -18.2030 1.00000
151 -18.1987 1.00000
152 -18.1981 1.00000
153 -18.0939 1.00000
154 -18.0935 1.00000
155 -18.0789 1.00000
156 -18.0786 1.00000
157 -17.5663 1.00000
158 -17.5395 1.00000
159 -17.5075 1.00000
160 -17.5028 1.00000
161 -11.7988 1.00000
162 -11.7358 1.00000
163 -11.5524 1.00000
164 -11.5311 1.00000
165 -11.0048 1.00000
166 -11.0044 1.00000
167 -10.9367 1.00000
168 -10.9356 1.00000
169 -10.8515 1.00000
170 -10.8511 1.00000
171 -10.7856 1.00000
172 -10.7845 1.00000
173 -10.1291 1.00000
174 -10.0679 1.00000
175 -9.9835 1.00000
176 -9.8685 1.00000
177 -7.5265 1.00000
178 -7.3309 1.00000
179 -7.3292 1.00000
180 -7.3256 1.00000
181 -7.2771 1.00000
182 -7.2394 1.00000
183 -7.1084 1.00000
184 -7.1072 1.00000
185 -6.9300 1.00000
186 -6.9224 1.00000
187 -6.9223 1.00000
188 -6.9211 1.00000
189 -6.7782 1.00000
190 -6.7563 1.00000
191 -6.7549 1.00000
192 -6.6517 1.00000
193 -6.5562 1.00000
194 -6.5556 1.00000
195 -6.5481 1.00000
196 -6.4672 1.00000
197 -6.4335 1.00000
198 -6.3702 1.00000
199 -6.3209 1.00000
200 -6.3204 1.00000
201 -6.2952 1.00000
202 -6.2862 1.00000
203 -6.2189 1.00000
204 -6.2183 1.00000
205 -6.1317 1.00000
206 -6.1309 1.00000
207 -6.0278 1.00000
208 -6.0220 1.00000
209 -5.8507 1.00000
210 -5.8219 1.00000
211 -5.8213 1.00000
212 -5.8115 1.00000
213 -5.8084 1.00000
214 -5.8071 1.00000
215 -5.7869 1.00000
216 -5.7860 1.00000
217 -5.6430 1.00000
218 -5.6416 1.00000
219 -5.5998 1.00000
220 -5.5535 1.00000
221 -5.4379 1.00000
222 -5.3305 1.00000
223 -5.2520 1.00000
224 -5.2511 1.00000
225 -5.2286 1.00000
226 -5.2235 1.00000
227 -5.1382 1.00000
228 -5.0965 1.00000
229 -5.0191 1.00000
230 -5.0184 1.00000
231 -4.9662 1.00000
232 -4.8955 1.00000
233 -4.8694 1.00000
234 -4.8658 1.00000
235 -4.8211 1.00000
236 -4.8173 1.00000
237 -4.8166 1.00000
238 -4.7301 1.00000
239 -4.5485 1.00000
240 -4.5473 1.00000
241 -4.4903 1.00000
242 -4.4353 1.00000
243 -4.4350 1.00000
244 -4.4078 1.00000
245 -4.4071 1.00000
246 -4.3505 1.00000
247 -4.1444 1.00000
248 -4.1439 1.00000
249 -4.1390 1.00000
250 -4.1054 1.00000
251 -3.9906 1.00000
252 -3.9901 1.00000
253 -3.9492 1.00000
254 -3.9252 1.00000
255 -3.8750 1.00000
256 -3.8542 1.00000
257 -3.8539 1.00000
258 -3.8075 1.00000
259 -3.7470 1.00000
260 -3.7110 1.00000
261 -3.7010 1.00000
262 -3.7006 1.00000
263 -3.6470 1.00000
264 -3.5538 1.00000
265 -3.5535 1.00000
266 -3.5239 1.00000
267 -3.5235 1.00000
268 -3.4689 1.00000
269 -3.4546 1.00000
270 -3.4337 1.00000
271 -3.4333 1.00000
272 -3.3169 1.00000
273 -3.2710 1.00000
274 -3.2311 1.00000
275 -3.2275 1.00000
276 -3.2270 1.00000
277 -3.2044 1.00000
278 -3.2041 1.00000
279 -3.1621 1.00000
280 -3.1118 1.00000
281 -3.1102 1.00000
282 -3.1098 1.00000
283 -3.0727 1.00000
284 -3.0721 1.00000
285 -3.0588 1.00000
286 -3.0213 1.00000
287 -2.9187 1.00000
288 -2.9184 1.00000
289 -2.9018 1.00000
290 -2.8742 1.00000
291 -2.8003 1.00000
292 -2.8001 1.00000
293 -2.7680 1.00000
294 -2.7543 1.00000
295 -2.7444 1.00000
296 -2.7442 1.00000
297 -2.7299 1.00000
298 -2.7163 1.00000
299 -2.7080 1.00000
300 -2.7079 1.00000
301 -2.6847 1.00000
302 -2.6518 1.00000
303 -2.6064 1.00000
304 -2.6056 1.00000
305 -2.4980 1.00000
306 -2.4973 1.00000
307 -2.4634 1.00000
308 -2.4344 1.00000
309 -2.4130 1.00000
310 -2.4128 1.00000
311 -2.4075 1.00000
312 -2.2730 1.00000
313 -2.2564 1.00000
314 -2.2559 1.00000
315 -2.1505 1.00000
316 -2.1260 1.00000
317 -2.1086 1.00000
318 -2.1031 1.00000
319 -2.0535 1.00000
320 -1.9405 1.00000
321 0.5993 0.00000
322 0.8931 0.00000
323 0.9083 0.00000
324 0.9822 0.00000
325 0.9823 0.00000
326 1.0610 0.00000
327 1.0615 0.00000
328 1.1065 0.00000
329 1.3020 0.00000
330 1.3027 0.00000
331 1.4108 0.00000
332 1.4169 0.00000
333 1.4174 0.00000
334 1.4182 0.00000
335 1.4396 0.00000
336 1.4406 0.00000
337 1.5589 0.00000
338 1.6727 0.00000
339 1.7262 0.00000
340 1.7674 0.00000
341 1.9046 0.00000
342 1.9783 0.00000
343 1.9786 0.00000
344 1.9799 0.00000
345 1.9807 0.00000
346 2.0592 0.00000
347 2.0969 0.00000
348 2.0972 0.00000
349 2.2761 0.00000
350 2.3240 0.00000
351 2.3245 0.00000
352 2.3525 0.00000
353 2.4055 0.00000
354 2.5103 0.00000
355 2.6292 0.00000
356 2.7861 0.00000
357 2.7863 0.00000
358 2.8151 0.00000
359 2.9113 0.00000
360 2.9710 0.00000
361 2.9718 0.00000
362 3.0099 0.00000
363 3.0961 0.00000
364 3.1259 0.00000
365 3.2051 0.00000
366 3.2396 0.00000
367 3.2548 0.00000
368 3.2770 0.00000
369 3.2780 0.00000
370 3.3558 0.00000
371 3.4259 0.00000
372 3.5536 0.00000
373 3.5538 0.00000
374 3.7027 0.00000
375 3.8608 0.00000
376 3.8641 0.00000
377 3.8924 0.00000
378 3.8929 0.00000
379 4.0007 0.00000
380 4.0389 0.00000
381 4.1313 0.00000
382 4.1330 0.00000
383 4.1865 0.00000
384 4.2414 0.00000
385 4.2426 0.00000
386 4.3272 0.00000
387 4.3579 0.00000
388 4.4049 0.00000
389 4.4537 0.00000
390 4.4545 0.00000
391 4.5599 0.00000
392 4.7223 0.00000
393 4.7231 0.00000
394 4.7593 0.00000
395 4.7604 0.00000
396 4.8667 0.00000
397 4.8772 0.00000
398 4.9421 0.00000
399 4.9642 0.00000
400 4.9643 0.00000
401 4.9730 0.00000
402 5.0097 0.00000
403 5.1179 0.00000
404 5.1179 0.00000
405 5.1801 0.00000
406 5.1882 0.00000
407 5.1883 0.00000
408 5.2596 0.00000
409 5.3680 0.00000
410 5.3902 0.00000
411 5.3909 0.00000
412 5.4369 0.00000
413 5.5232 0.00000
414 5.5490 0.00000
415 5.5496 0.00000
416 5.6158 0.00000
417 5.6889 0.00000
418 5.7547 0.00000
419 5.7549 0.00000
420 5.7591 0.00000
421 5.7895 0.00000
422 5.7897 0.00000
423 5.8008 0.00000
424 5.8832 0.00000
425 6.0020 0.00000
426 6.0021 0.00000
427 6.0746 0.00000
428 6.0747 0.00000
429 6.2276 0.00000
430 6.2278 0.00000
431 6.2433 0.00000
432 6.3290 0.00000
433 6.3293 0.00000
434 6.5882 0.00000
435 6.6073 0.00000
436 6.6074 0.00000
437 6.6274 0.00000
438 6.7434 0.00000
439 6.7436 0.00000
440 6.8665 0.00000
441 6.8667 0.00000
442 7.0581 0.00000
443 7.2187 0.00000
444 7.4858 0.00000
445 7.4880 0.00000
446 7.4887 0.00000
447 7.5382 0.00000
448 7.5383 0.00000
449 7.5935 0.00000
450 7.5937 0.00000
451 7.6726 0.00000
452 7.6949 0.00000
453 7.6950 0.00000
454 7.7065 0.00000
455 7.7231 0.00000
456 7.7232 0.00000
457 7.8643 0.00000
458 7.9300 0.00000
459 8.0036 0.00000
460 8.0042 0.00000
461 8.1023 0.00000
462 8.1904 0.00000
463 8.3297 0.00000
464 8.3728 0.00000
465 8.4468 0.00000
466 8.4779 0.00000
467 8.4780 0.00000
468 8.5946 0.00000
469 8.5947 0.00000
470 8.6545 0.00000
471 8.6711 0.00000
472 8.6978 0.00000
473 8.7068 0.00000
474 8.7069 0.00000
475 8.7500 0.00000
476 8.8723 0.00000
477 8.8907 0.00000
478 8.8909 0.00000
479 8.9174 0.00000
480 9.0218 0.00000
k-point 2 : 0.2500 0.0000 0.0000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3975 1.00000
3 -76.3971 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3923 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7497 1.00000
10 -40.7490 1.00000
11 -40.7471 1.00000
12 -40.7449 1.00000
13 -40.7421 1.00000
14 -40.7415 1.00000
15 -40.7395 1.00000
16 -40.7385 1.00000
17 -40.7286 1.00000
18 -40.7248 1.00000
19 -40.7212 1.00000
20 -40.7205 1.00000
21 -40.7174 1.00000
22 -40.7149 1.00000
23 -40.7145 1.00000
24 -40.7092 1.00000
25 -40.6672 1.00000
26 -40.6609 1.00000
27 -40.6607 1.00000
28 -40.6603 1.00000
29 -40.6556 1.00000
30 -40.6542 1.00000
31 -40.6533 1.00000
32 -40.6485 1.00000
33 -24.0240 1.00000
34 -24.0120 1.00000
35 -24.0096 1.00000
36 -24.0006 1.00000
37 -24.0000 1.00000
38 -23.9998 1.00000
39 -23.9963 1.00000
40 -23.9953 1.00000
41 -23.9946 1.00000
42 -23.9942 1.00000
43 -23.9845 1.00000
44 -23.9844 1.00000
45 -23.9842 1.00000
46 -23.9777 1.00000
47 -23.9777 1.00000
48 -23.9775 1.00000
49 -23.8845 1.00000
50 -23.8815 1.00000
51 -23.8632 1.00000
52 -23.8572 1.00000
53 -23.8129 1.00000
54 -23.8125 1.00000
55 -23.8101 1.00000
56 -23.8097 1.00000
57 -23.7986 1.00000
58 -23.7985 1.00000
59 -23.7932 1.00000
60 -23.7932 1.00000
61 -23.7900 1.00000
62 -23.7875 1.00000
63 -23.7790 1.00000
64 -23.7760 1.00000
65 -23.7755 1.00000
66 -23.7744 1.00000
67 -23.7743 1.00000
68 -23.7733 1.00000
69 -23.7721 1.00000
70 -23.7677 1.00000
71 -23.7639 1.00000
72 -23.7599 1.00000
73 -23.7548 1.00000
74 -23.7543 1.00000
75 -23.7513 1.00000
76 -23.7513 1.00000
77 -23.7414 1.00000
78 -23.7394 1.00000
79 -23.7253 1.00000
80 -23.7215 1.00000
81 -23.7201 1.00000
82 -23.7199 1.00000
83 -23.7186 1.00000
84 -23.7184 1.00000
85 -23.7183 1.00000
86 -23.7171 1.00000
87 -23.7143 1.00000
88 -23.7138 1.00000
89 -23.7111 1.00000
90 -23.7102 1.00000
91 -23.7101 1.00000
92 -23.7050 1.00000
93 -23.6821 1.00000
94 -23.6796 1.00000
95 -23.6716 1.00000
96 -23.6684 1.00000
97 -23.6367 1.00000
98 -23.6348 1.00000
99 -23.6256 1.00000
100 -23.6252 1.00000
101 -23.6069 1.00000
102 -23.6055 1.00000
103 -23.6054 1.00000
104 -23.6042 1.00000
105 -23.6041 1.00000
106 -23.6034 1.00000
107 -23.6007 1.00000
108 -23.6005 1.00000
109 -23.5831 1.00000
110 -23.5778 1.00000
111 -23.5694 1.00000
112 -23.5612 1.00000
113 -20.2652 1.00000
114 -20.0413 1.00000
115 -19.7344 1.00000
116 -19.7339 1.00000
117 -19.6644 1.00000
118 -19.6628 1.00000
119 -19.6430 1.00000
120 -19.5320 1.00000
121 -19.3139 1.00000
122 -19.3128 1.00000
123 -19.2823 1.00000
124 -19.2804 1.00000
125 -19.2533 1.00000
126 -19.2414 1.00000
127 -19.1461 1.00000
128 -19.0619 1.00000
129 -18.9047 1.00000
130 -18.8868 1.00000
131 -18.8642 1.00000
132 -18.8482 1.00000
133 -18.8476 1.00000
134 -18.7920 1.00000
135 -18.7274 1.00000
136 -18.7269 1.00000
137 -18.6831 1.00000
138 -18.6338 1.00000
139 -18.5856 1.00000
140 -18.5654 1.00000
141 -18.3919 1.00000
142 -18.3915 1.00000
143 -18.3847 1.00000
144 -18.3841 1.00000
145 -18.3167 1.00000
146 -18.2986 1.00000
147 -18.2318 1.00000
148 -18.2278 1.00000
149 -18.2029 1.00000
150 -18.2027 1.00000
151 -18.1993 1.00000
152 -18.1987 1.00000
153 -18.0916 1.00000
154 -18.0914 1.00000
155 -18.0809 1.00000
156 -18.0806 1.00000
157 -17.5620 1.00000
158 -17.5428 1.00000
159 -17.5068 1.00000
160 -17.5035 1.00000
161 -11.7647 1.00000
162 -11.7102 1.00000
163 -11.5858 1.00000
164 -11.5712 1.00000
165 -10.9832 1.00000
166 -10.9828 1.00000
167 -10.9154 1.00000
168 -10.9143 1.00000
169 -10.8747 1.00000
170 -10.8743 1.00000
171 -10.8085 1.00000
172 -10.8074 1.00000
173 -10.1119 1.00000
174 -10.0709 1.00000
175 -9.9670 1.00000
176 -9.8848 1.00000
177 -7.4912 1.00000
178 -7.3188 1.00000
179 -7.3118 1.00000
180 -7.2931 1.00000
181 -7.2914 1.00000
182 -7.1085 1.00000
183 -7.0721 1.00000
184 -7.0709 1.00000
185 -7.0520 1.00000
186 -7.0336 1.00000
187 -7.0321 1.00000
188 -6.9184 1.00000
189 -6.8239 1.00000
190 -6.8227 1.00000
191 -6.8209 1.00000
192 -6.6160 1.00000
193 -6.5213 1.00000
194 -6.4983 1.00000
195 -6.4483 1.00000
196 -6.4477 1.00000
197 -6.4473 1.00000
198 -6.3625 1.00000
199 -6.3219 1.00000
200 -6.2842 1.00000
201 -6.2837 1.00000
202 -6.2223 1.00000
203 -6.1734 1.00000
204 -6.1725 1.00000
205 -6.0855 1.00000
206 -6.0849 1.00000
207 -6.0638 1.00000
208 -6.0085 1.00000
209 -5.9277 1.00000
210 -5.9273 1.00000
211 -5.8875 1.00000
212 -5.8335 1.00000
213 -5.7930 1.00000
214 -5.7828 1.00000
215 -5.7323 1.00000
216 -5.7314 1.00000
217 -5.6808 1.00000
218 -5.6627 1.00000
219 -5.6617 1.00000
220 -5.5652 1.00000
221 -5.5242 1.00000
222 -5.4296 1.00000
223 -5.4008 1.00000
224 -5.3999 1.00000
225 -5.2528 1.00000
226 -5.1584 1.00000
227 -5.1063 1.00000
228 -5.0190 1.00000
229 -4.9876 1.00000
230 -4.9869 1.00000
231 -4.9509 1.00000
232 -4.9365 1.00000
233 -4.8989 1.00000
234 -4.8371 1.00000
235 -4.8367 1.00000
236 -4.8255 1.00000
237 -4.6545 1.00000
238 -4.6186 1.00000
239 -4.5717 1.00000
240 -4.5708 1.00000
241 -4.4277 1.00000
242 -4.4270 1.00000
243 -4.4145 1.00000
244 -4.3342 1.00000
245 -4.3303 1.00000
246 -4.3299 1.00000
247 -4.2242 1.00000
248 -4.1723 1.00000
249 -4.0670 1.00000
250 -4.0666 1.00000
251 -4.0454 1.00000
252 -4.0063 1.00000
253 -4.0057 1.00000
254 -3.8935 1.00000
255 -3.8735 1.00000
256 -3.8403 1.00000
257 -3.8402 1.00000
258 -3.7720 1.00000
259 -3.7700 1.00000
260 -3.6897 1.00000
261 -3.6891 1.00000
262 -3.6582 1.00000
263 -3.6318 1.00000
264 -3.5247 1.00000
265 -3.5245 1.00000
266 -3.5081 1.00000
267 -3.5078 1.00000
268 -3.4882 1.00000
269 -3.4669 1.00000
270 -3.4665 1.00000
271 -3.4235 1.00000
272 -3.3370 1.00000
273 -3.2785 1.00000
274 -3.2626 1.00000
275 -3.2354 1.00000
276 -3.2348 1.00000
277 -3.2138 1.00000
278 -3.2136 1.00000
279 -3.1694 1.00000
280 -3.0966 1.00000
281 -3.0961 1.00000
282 -3.0877 1.00000
283 -3.0871 1.00000
284 -3.0690 1.00000
285 -3.0327 1.00000
286 -2.9506 1.00000
287 -2.9294 1.00000
288 -2.9201 1.00000
289 -2.9199 1.00000
290 -2.8621 1.00000
291 -2.8027 1.00000
292 -2.8025 1.00000
293 -2.7951 1.00000
294 -2.7682 1.00000
295 -2.7457 1.00000
296 -2.7456 1.00000
297 -2.7412 1.00000
298 -2.7410 1.00000
299 -2.7395 1.00000
300 -2.7294 1.00000
301 -2.6993 1.00000
302 -2.6675 1.00000
303 -2.6218 1.00000
304 -2.6212 1.00000
305 -2.5306 1.00000
306 -2.5300 1.00000
307 -2.4780 1.00000
308 -2.4431 1.00000
309 -2.4334 1.00000
310 -2.3844 1.00000
311 -2.3843 1.00000
312 -2.2964 1.00000
313 -2.2841 1.00000
314 -2.2836 1.00000
315 -2.2035 1.00000
316 -2.1647 1.00000
317 -2.1554 1.00000
318 -2.0403 1.00000
319 -2.0306 1.00000
320 -1.9191 1.00000
321 0.6751 0.00000
322 0.9050 0.00000
323 0.9597 0.00000
324 1.0076 0.00000
325 1.0077 0.00000
326 1.1047 0.00000
327 1.1077 0.00000
328 1.1081 0.00000
329 1.2882 0.00000
330 1.2891 0.00000
331 1.3466 0.00000
332 1.3829 0.00000
333 1.4173 0.00000
334 1.4182 0.00000
335 1.4734 0.00000
336 1.4737 0.00000
337 1.5689 0.00000
338 1.6403 0.00000
339 1.7383 0.00000
340 1.8323 0.00000
341 1.8544 0.00000
342 1.9226 0.00000
343 1.9230 0.00000
344 2.0338 0.00000
345 2.0339 0.00000
346 2.0490 0.00000
347 2.0496 0.00000
348 2.1046 0.00000
349 2.2427 0.00000
350 2.2461 0.00000
351 2.3442 0.00000
352 2.3447 0.00000
353 2.3966 0.00000
354 2.4916 0.00000
355 2.5488 0.00000
356 2.6532 0.00000
357 2.7306 0.00000
358 2.8319 0.00000
359 2.8324 0.00000
360 2.8768 0.00000
361 2.8770 0.00000
362 2.9916 0.00000
363 3.1168 0.00000
364 3.1181 0.00000
365 3.1822 0.00000
366 3.1828 0.00000
367 3.3818 0.00000
368 3.4510 0.00000
369 3.4537 0.00000
370 3.5150 0.00000
371 3.5565 0.00000
372 3.6075 0.00000
373 3.6081 0.00000
374 3.6785 0.00000
375 3.7958 0.00000
376 3.7965 0.00000
377 3.8797 0.00000
378 3.9297 0.00000
379 3.9858 0.00000
380 4.0744 0.00000
381 4.2104 0.00000
382 4.2168 0.00000
383 4.2181 0.00000
384 4.2513 0.00000
385 4.2835 0.00000
386 4.2850 0.00000
387 4.3112 0.00000
388 4.4386 0.00000
389 4.4800 0.00000
390 4.5898 0.00000
391 4.5901 0.00000
392 4.6105 0.00000
393 4.7049 0.00000
394 4.7690 0.00000
395 4.7697 0.00000
396 4.7905 0.00000
397 4.8145 0.00000
398 4.8643 0.00000
399 4.9463 0.00000
400 5.0258 0.00000
401 5.0339 0.00000
402 5.0341 0.00000
403 5.0406 0.00000
404 5.0408 0.00000
405 5.1717 0.00000
406 5.2717 0.00000
407 5.2718 0.00000
408 5.2730 0.00000
409 5.3570 0.00000
410 5.3574 0.00000
411 5.4277 0.00000
412 5.4383 0.00000
413 5.4519 0.00000
414 5.4525 0.00000
415 5.5189 0.00000
416 5.5279 0.00000
417 5.5281 0.00000
418 5.6112 0.00000
419 5.7303 0.00000
420 5.7304 0.00000
421 5.8003 0.00000
422 5.8580 0.00000
423 5.8582 0.00000
424 5.8692 0.00000
425 5.8693 0.00000
426 5.8696 0.00000
427 6.0653 0.00000
428 6.1141 0.00000
429 6.1646 0.00000
430 6.3147 0.00000
431 6.3148 0.00000
432 6.3501 0.00000
433 6.6692 0.00000
434 6.6693 0.00000
435 6.6973 0.00000
436 6.6974 0.00000
437 6.7832 0.00000
438 6.7833 0.00000
439 6.8316 0.00000
440 7.0765 0.00000
441 7.1070 0.00000
442 7.1655 0.00000
443 7.1966 0.00000
444 7.1967 0.00000
445 7.2376 0.00000
446 7.4099 0.00000
447 7.4101 0.00000
448 7.4559 0.00000
449 7.4565 0.00000
450 7.4707 0.00000
451 7.6197 0.00000
452 7.7344 0.00000
453 7.7344 0.00000
454 7.7861 0.00000
455 7.8616 0.00000
456 7.9089 0.00000
457 7.9112 0.00000
458 7.9117 0.00000
459 8.1051 0.00000
460 8.1069 0.00000
461 8.1440 0.00000
462 8.1440 0.00000
463 8.1623 0.00000
464 8.1627 0.00000
465 8.1902 0.00000
466 8.4114 0.00000
467 8.4115 0.00000
468 8.4909 0.00000
469 8.5027 0.00000
470 8.5029 0.00000
471 8.5244 0.00000
472 8.5344 0.00000
473 8.6634 0.00000
474 8.6924 0.00000
475 8.8504 0.00000
476 8.9039 0.00000
477 9.0026 0.00000
478 9.1077 0.00000
479 9.1078 0.00000
480 9.1198 0.00000
k-point 3 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3975 1.00000
3 -76.3971 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3923 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7485 1.00000
10 -40.7478 1.00000
11 -40.7460 1.00000
12 -40.7443 1.00000
13 -40.7438 1.00000
14 -40.7432 1.00000
15 -40.7406 1.00000
16 -40.7401 1.00000
17 -40.7282 1.00000
18 -40.7249 1.00000
19 -40.7202 1.00000
20 -40.7194 1.00000
21 -40.7156 1.00000
22 -40.7155 1.00000
23 -40.7151 1.00000
24 -40.7104 1.00000
25 -40.6672 1.00000
26 -40.6608 1.00000
27 -40.6606 1.00000
28 -40.6603 1.00000
29 -40.6554 1.00000
30 -40.6543 1.00000
31 -40.6534 1.00000
32 -40.6486 1.00000
33 -24.0172 1.00000
34 -24.0167 1.00000
35 -24.0056 1.00000
36 -24.0030 1.00000
37 -23.9981 1.00000
38 -23.9978 1.00000
39 -23.9977 1.00000
40 -23.9973 1.00000
41 -23.9970 1.00000
42 -23.9968 1.00000
43 -23.9829 1.00000
44 -23.9827 1.00000
45 -23.9824 1.00000
46 -23.9795 1.00000
47 -23.9795 1.00000
48 -23.9794 1.00000
49 -23.8832 1.00000
50 -23.8827 1.00000
51 -23.8619 1.00000
52 -23.8584 1.00000
53 -23.8117 1.00000
54 -23.8112 1.00000
55 -23.8111 1.00000
56 -23.8108 1.00000
57 -23.7974 1.00000
58 -23.7971 1.00000
59 -23.7943 1.00000
60 -23.7942 1.00000
61 -23.7891 1.00000
62 -23.7888 1.00000
63 -23.7775 1.00000
64 -23.7772 1.00000
65 -23.7752 1.00000
66 -23.7748 1.00000
67 -23.7741 1.00000
68 -23.7737 1.00000
69 -23.7712 1.00000
70 -23.7689 1.00000
71 -23.7627 1.00000
72 -23.7606 1.00000
73 -23.7549 1.00000
74 -23.7543 1.00000
75 -23.7515 1.00000
76 -23.7515 1.00000
77 -23.7407 1.00000
78 -23.7403 1.00000
79 -23.7246 1.00000
80 -23.7220 1.00000
81 -23.7199 1.00000
82 -23.7195 1.00000
83 -23.7193 1.00000
84 -23.7190 1.00000
85 -23.7181 1.00000
86 -23.7176 1.00000
87 -23.7139 1.00000
88 -23.7132 1.00000
89 -23.7106 1.00000
90 -23.7105 1.00000
91 -23.7088 1.00000
92 -23.7062 1.00000
93 -23.6770 1.00000
94 -23.6766 1.00000
95 -23.6752 1.00000
96 -23.6725 1.00000
97 -23.6330 1.00000
98 -23.6310 1.00000
99 -23.6306 1.00000
100 -23.6303 1.00000
101 -23.6065 1.00000
102 -23.6058 1.00000
103 -23.6049 1.00000
104 -23.6048 1.00000
105 -23.6039 1.00000
106 -23.6033 1.00000
107 -23.6009 1.00000
108 -23.6007 1.00000
109 -23.5759 1.00000
110 -23.5756 1.00000
111 -23.5702 1.00000
112 -23.5675 1.00000
113 -20.1766 1.00000
114 -20.1689 1.00000
115 -19.7043 1.00000
116 -19.7040 1.00000
117 -19.6963 1.00000
118 -19.6952 1.00000
119 -19.5640 1.00000
120 -19.5595 1.00000
121 -19.3032 1.00000
122 -19.3024 1.00000
123 -19.2984 1.00000
124 -19.2975 1.00000
125 -19.2543 1.00000
126 -19.2478 1.00000
127 -19.1043 1.00000
128 -19.0999 1.00000
129 -18.8919 1.00000
130 -18.8874 1.00000
131 -18.8478 1.00000
132 -18.8456 1.00000
133 -18.7872 1.00000
134 -18.7855 1.00000
135 -18.7820 1.00000
136 -18.7812 1.00000
137 -18.6563 1.00000
138 -18.6526 1.00000
139 -18.5731 1.00000
140 -18.5729 1.00000
141 -18.3908 1.00000
142 -18.3904 1.00000
143 -18.3851 1.00000
144 -18.3846 1.00000
145 -18.3056 1.00000
146 -18.3044 1.00000
147 -18.2329 1.00000
148 -18.2306 1.00000
149 -18.2022 1.00000
150 -18.2022 1.00000
151 -18.2003 1.00000
152 -18.1995 1.00000
153 -18.0880 1.00000
154 -18.0878 1.00000
155 -18.0847 1.00000
156 -18.0841 1.00000
157 -17.5531 1.00000
158 -17.5508 1.00000
159 -17.5054 1.00000
160 -17.5048 1.00000
161 -11.6776 1.00000
162 -11.6771 1.00000
163 -11.6471 1.00000
164 -11.6438 1.00000
165 -10.9318 1.00000
166 -10.9309 1.00000
167 -10.9279 1.00000
168 -10.9278 1.00000
169 -10.8634 1.00000
170 -10.8623 1.00000
171 -10.8618 1.00000
172 -10.8614 1.00000
173 -10.0870 1.00000
174 -10.0820 1.00000
175 -9.9260 1.00000
176 -9.9253 1.00000
177 -7.4057 1.00000
178 -7.3973 1.00000
179 -7.2201 1.00000
180 -7.2194 1.00000
181 -7.1898 1.00000
182 -7.1878 1.00000
183 -7.1830 1.00000
184 -7.1816 1.00000
185 -6.9704 1.00000
186 -6.9696 1.00000
187 -6.9651 1.00000
188 -6.9637 1.00000
189 -6.9206 1.00000
190 -6.9170 1.00000
191 -6.7896 1.00000
192 -6.7894 1.00000
193 -6.5298 1.00000
194 -6.5270 1.00000
195 -6.4453 1.00000
196 -6.4418 1.00000
197 -6.2849 1.00000
198 -6.2837 1.00000
199 -6.2774 1.00000
200 -6.2764 1.00000
201 -6.1793 1.00000
202 -6.1763 1.00000
203 -6.1275 1.00000
204 -6.1269 1.00000
205 -6.1255 1.00000
206 -6.1247 1.00000
207 -6.0196 1.00000
208 -6.0156 1.00000
209 -5.9228 1.00000
210 -5.9211 1.00000
211 -5.8486 1.00000
212 -5.8483 1.00000
213 -5.8456 1.00000
214 -5.8448 1.00000
215 -5.7695 1.00000
216 -5.7668 1.00000
217 -5.6701 1.00000
218 -5.6678 1.00000
219 -5.5984 1.00000
220 -5.5976 1.00000
221 -5.5971 1.00000
222 -5.5964 1.00000
223 -5.5494 1.00000
224 -5.5487 1.00000
225 -5.1348 1.00000
226 -5.1339 1.00000
227 -5.0720 1.00000
228 -5.0704 1.00000
229 -5.0424 1.00000
230 -5.0415 1.00000
231 -4.9136 1.00000
232 -4.9131 1.00000
233 -4.9087 1.00000
234 -4.9082 1.00000
235 -4.7498 1.00000
236 -4.7489 1.00000
237 -4.4963 1.00000
238 -4.4954 1.00000
239 -4.4947 1.00000
240 -4.4939 1.00000
241 -4.4789 1.00000
242 -4.4771 1.00000
243 -4.3966 1.00000
244 -4.3927 1.00000
245 -4.2099 1.00000
246 -4.2097 1.00000
247 -4.2089 1.00000
248 -4.2082 1.00000
249 -4.2058 1.00000
250 -4.2055 1.00000
251 -4.0655 1.00000
252 -4.0633 1.00000
253 -3.8422 1.00000
254 -3.8418 1.00000
255 -3.8403 1.00000
256 -3.8402 1.00000
257 -3.7906 1.00000
258 -3.7873 1.00000
259 -3.7409 1.00000
260 -3.7398 1.00000
261 -3.6210 1.00000
262 -3.6208 1.00000
263 -3.6195 1.00000
264 -3.6189 1.00000
265 -3.5473 1.00000
266 -3.5460 1.00000
267 -3.4718 1.00000
268 -3.4715 1.00000
269 -3.4703 1.00000
270 -3.4700 1.00000
271 -3.3515 1.00000
272 -3.3488 1.00000
273 -3.3107 1.00000
274 -3.3077 1.00000
275 -3.2353 1.00000
276 -3.2353 1.00000
277 -3.2329 1.00000
278 -3.2326 1.00000
279 -3.1017 1.00000
280 -3.1012 1.00000
281 -3.0994 1.00000
282 -3.0988 1.00000
283 -3.0885 1.00000
284 -3.0814 1.00000
285 -2.9290 1.00000
286 -2.9272 1.00000
287 -2.8927 1.00000
288 -2.8922 1.00000
289 -2.8598 1.00000
290 -2.8596 1.00000
291 -2.8591 1.00000
292 -2.8589 1.00000
293 -2.8161 1.00000
294 -2.8156 1.00000
295 -2.7716 1.00000
296 -2.7711 1.00000
297 -2.7664 1.00000
298 -2.7656 1.00000
299 -2.7650 1.00000
300 -2.7642 1.00000
301 -2.6923 1.00000
302 -2.6894 1.00000
303 -2.5954 1.00000
304 -2.5951 1.00000
305 -2.5934 1.00000
306 -2.5928 1.00000
307 -2.4707 1.00000
308 -2.4682 1.00000
309 -2.4385 1.00000
310 -2.4382 1.00000
311 -2.3387 1.00000
312 -2.3380 1.00000
313 -2.3331 1.00000
314 -2.3320 1.00000
315 -2.1872 1.00000
316 -2.1865 1.00000
317 -2.0612 1.00000
318 -2.0607 1.00000
319 -1.9809 1.00000
320 -1.9805 1.00000
321 0.8253 0.00000
322 0.8272 0.00000
323 1.0788 0.00000
324 1.0792 0.00000
325 1.0831 0.00000
326 1.0835 0.00000
327 1.0879 0.00000
328 1.0937 0.00000
329 1.2915 0.00000
330 1.2928 0.00000
331 1.3326 0.00000
332 1.3327 0.00000
333 1.3344 0.00000
334 1.3345 0.00000
335 1.5687 0.00000
336 1.5702 0.00000
337 1.7056 0.00000
338 1.7059 0.00000
339 1.7066 0.00000
340 1.7068 0.00000
341 1.8141 0.00000
342 1.8150 0.00000
343 1.9873 0.00000
344 1.9899 0.00000
345 2.0327 0.00000
346 2.0332 0.00000
347 2.0354 0.00000
348 2.0359 0.00000
349 2.1950 0.00000
350 2.1953 0.00000
351 2.3504 0.00000
352 2.3520 0.00000
353 2.5455 0.00000
354 2.5458 0.00000
355 2.5471 0.00000
356 2.5473 0.00000
357 2.6269 0.00000
358 2.6271 0.00000
359 2.7938 0.00000
360 2.7943 0.00000
361 3.0431 0.00000
362 3.0434 0.00000
363 3.0444 0.00000
364 3.0447 0.00000
365 3.1192 0.00000
366 3.1214 0.00000
367 3.4187 0.00000
368 3.4192 0.00000
369 3.6733 0.00000
370 3.6735 0.00000
371 3.6753 0.00000
372 3.6762 0.00000
373 3.6841 0.00000
374 3.6846 0.00000
375 3.8084 0.00000
376 3.8105 0.00000
377 3.9570 0.00000
378 3.9578 0.00000
379 4.0031 0.00000
380 4.0039 0.00000
381 4.1560 0.00000
382 4.1563 0.00000
383 4.3032 0.00000
384 4.3033 0.00000
385 4.3044 0.00000
386 4.3050 0.00000
387 4.3656 0.00000
388 4.3663 0.00000
389 4.5043 0.00000
390 4.5064 0.00000
391 4.7001 0.00000
392 4.7005 0.00000
393 4.7765 0.00000
394 4.7769 0.00000
395 4.8301 0.00000
396 4.8304 0.00000
397 4.8314 0.00000
398 4.8316 0.00000
399 5.0008 0.00000
400 5.0026 0.00000
401 5.0073 0.00000
402 5.0076 0.00000
403 5.0083 0.00000
404 5.0087 0.00000
405 5.0778 0.00000
406 5.0800 0.00000
407 5.2254 0.00000
408 5.2255 0.00000
409 5.2260 0.00000
410 5.2262 0.00000
411 5.3438 0.00000
412 5.3447 0.00000
413 5.4776 0.00000
414 5.4780 0.00000
415 5.4787 0.00000
416 5.4788 0.00000
417 5.6289 0.00000
418 5.6291 0.00000
419 5.6305 0.00000
420 5.6309 0.00000
421 5.7373 0.00000
422 5.7374 0.00000
423 5.9832 0.00000
424 5.9876 0.00000
425 6.0395 0.00000
426 6.0396 0.00000
427 6.0402 0.00000
428 6.0402 0.00000
429 6.3269 0.00000
430 6.3275 0.00000
431 6.3936 0.00000
432 6.3937 0.00000
433 6.5497 0.00000
434 6.5506 0.00000
435 6.8393 0.00000
436 6.8394 0.00000
437 6.8394 0.00000
438 6.8395 0.00000
439 7.0349 0.00000
440 7.0351 0.00000
441 7.2401 0.00000
442 7.2416 0.00000
443 7.2460 0.00000
444 7.2465 0.00000
445 7.2483 0.00000
446 7.2493 0.00000
447 7.4397 0.00000
448 7.4406 0.00000
449 7.4406 0.00000
450 7.4573 0.00000
451 7.6320 0.00000
452 7.6344 0.00000
453 7.8478 0.00000
454 7.8558 0.00000
455 7.8682 0.00000
456 7.9226 0.00000
457 7.9451 0.00000
458 7.9902 0.00000
459 8.0298 0.00000
460 8.0494 0.00000
461 8.2162 0.00000
462 8.2288 0.00000
463 8.3015 0.00000
464 8.3440 0.00000
465 8.3580 0.00000
466 8.3710 0.00000
467 8.3796 0.00000
468 8.5353 0.00000
469 8.7768 0.00000
470 8.8177 0.00000
471 8.8967 0.00000
472 8.9222 0.00000
473 9.1023 0.00000
474 9.1525 0.00000
475 9.2751 0.00000
476 9.4144 0.00000
477 9.4500 0.00000
478 9.5870 0.00000
479 9.6182 0.00000
480 10.1692 0.00000
k-point 4 : 0.0000 0.2500 0.0000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3977 1.00000
3 -76.3970 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3924 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7495 1.00000
10 -40.7488 1.00000
11 -40.7474 1.00000
12 -40.7452 1.00000
13 -40.7414 1.00000
14 -40.7408 1.00000
15 -40.7403 1.00000
16 -40.7395 1.00000
17 -40.7272 1.00000
18 -40.7245 1.00000
19 -40.7237 1.00000
20 -40.7185 1.00000
21 -40.7179 1.00000
22 -40.7168 1.00000
23 -40.7128 1.00000
24 -40.7093 1.00000
25 -40.6666 1.00000
26 -40.6632 1.00000
27 -40.6597 1.00000
28 -40.6586 1.00000
29 -40.6560 1.00000
30 -40.6560 1.00000
31 -40.6516 1.00000
32 -40.6488 1.00000
33 -24.0220 1.00000
34 -24.0097 1.00000
35 -24.0062 1.00000
36 -24.0037 1.00000
37 -23.9998 1.00000
38 -23.9993 1.00000
39 -23.9985 1.00000
40 -23.9940 1.00000
41 -23.9938 1.00000
42 -23.9921 1.00000
43 -23.9884 1.00000
44 -23.9843 1.00000
45 -23.9829 1.00000
46 -23.9826 1.00000
47 -23.9772 1.00000
48 -23.9764 1.00000
49 -23.8789 1.00000
50 -23.8777 1.00000
51 -23.8586 1.00000
52 -23.8538 1.00000
53 -23.8440 1.00000
54 -23.8354 1.00000
55 -23.8272 1.00000
56 -23.8168 1.00000
57 -23.7937 1.00000
58 -23.7902 1.00000
59 -23.7897 1.00000
60 -23.7865 1.00000
61 -23.7830 1.00000
62 -23.7820 1.00000
63 -23.7815 1.00000
64 -23.7792 1.00000
65 -23.7768 1.00000
66 -23.7754 1.00000
67 -23.7717 1.00000
68 -23.7682 1.00000
69 -23.7649 1.00000
70 -23.7640 1.00000
71 -23.7608 1.00000
72 -23.7608 1.00000
73 -23.7587 1.00000
74 -23.7568 1.00000
75 -23.7422 1.00000
76 -23.7394 1.00000
77 -23.7345 1.00000
78 -23.7311 1.00000
79 -23.7252 1.00000
80 -23.7220 1.00000
81 -23.7197 1.00000
82 -23.7193 1.00000
83 -23.7182 1.00000
84 -23.7173 1.00000
85 -23.7163 1.00000
86 -23.7146 1.00000
87 -23.7132 1.00000
88 -23.7128 1.00000
89 -23.7120 1.00000
90 -23.7098 1.00000
91 -23.7090 1.00000
92 -23.7049 1.00000
93 -23.6896 1.00000
94 -23.6880 1.00000
95 -23.6773 1.00000
96 -23.6745 1.00000
97 -23.6359 1.00000
98 -23.6342 1.00000
99 -23.6213 1.00000
100 -23.6202 1.00000
101 -23.6186 1.00000
102 -23.6175 1.00000
103 -23.6113 1.00000
104 -23.6086 1.00000
105 -23.5980 1.00000
106 -23.5943 1.00000
107 -23.5931 1.00000
108 -23.5883 1.00000
109 -23.5875 1.00000
110 -23.5837 1.00000
111 -23.5708 1.00000
112 -23.5625 1.00000
113 -20.2586 1.00000
114 -19.9678 1.00000
115 -19.9232 1.00000
116 -19.7439 1.00000
117 -19.6990 1.00000
118 -19.6152 1.00000
119 -19.5104 1.00000
120 -19.5041 1.00000
121 -19.3750 1.00000
122 -19.2856 1.00000
123 -19.2783 1.00000
124 -19.2562 1.00000
125 -19.2322 1.00000
126 -19.2238 1.00000
127 -19.1736 1.00000
128 -19.1149 1.00000
129 -18.9067 1.00000
130 -18.8885 1.00000
131 -18.8708 1.00000
132 -18.8703 1.00000
133 -18.8658 1.00000
134 -18.7543 1.00000
135 -18.7154 1.00000
136 -18.6951 1.00000
137 -18.6766 1.00000
138 -18.6110 1.00000
139 -18.5781 1.00000
140 -18.5541 1.00000
141 -18.4877 1.00000
142 -18.4733 1.00000
143 -18.4254 1.00000
144 -18.4124 1.00000
145 -18.3207 1.00000
146 -18.3112 1.00000
147 -18.2912 1.00000
148 -18.2577 1.00000
149 -18.2409 1.00000
150 -18.2294 1.00000
151 -18.2201 1.00000
152 -18.2099 1.00000
153 -17.9659 1.00000
154 -17.9628 1.00000
155 -17.9165 1.00000
156 -17.9155 1.00000
157 -17.6205 1.00000
158 -17.5952 1.00000
159 -17.5644 1.00000
160 -17.5610 1.00000
161 -11.7363 1.00000
162 -11.6829 1.00000
163 -11.4985 1.00000
164 -11.4730 1.00000
165 -11.2931 1.00000
166 -11.2855 1.00000
167 -11.1212 1.00000
168 -11.0686 1.00000
169 -10.6695 1.00000
170 -10.5770 1.00000
171 -10.5755 1.00000
172 -10.4943 1.00000
173 -10.1832 1.00000
174 -10.1487 1.00000
175 -10.0506 1.00000
176 -9.9675 1.00000
177 -7.4612 1.00000
178 -7.3605 1.00000
179 -7.2875 1.00000
180 -7.2804 1.00000
181 -7.2262 1.00000
182 -7.1924 1.00000
183 -7.0991 1.00000
184 -7.0659 1.00000
185 -7.0493 1.00000
186 -7.0258 1.00000
187 -6.9992 1.00000
188 -6.9060 1.00000
189 -6.8805 1.00000
190 -6.8648 1.00000
191 -6.7686 1.00000
192 -6.6600 1.00000
193 -6.5884 1.00000
194 -6.5594 1.00000
195 -6.5439 1.00000
196 -6.4040 1.00000
197 -6.3563 1.00000
198 -6.2909 1.00000
199 -6.2864 1.00000
200 -6.2778 1.00000
201 -6.2678 1.00000
202 -6.2613 1.00000
203 -6.2200 1.00000
204 -6.1278 1.00000
205 -6.1190 1.00000
206 -6.1056 1.00000
207 -6.0985 1.00000
208 -5.9495 1.00000
209 -5.9428 1.00000
210 -5.9153 1.00000
211 -5.8793 1.00000
212 -5.8691 1.00000
213 -5.8619 1.00000
214 -5.8571 1.00000
215 -5.6526 1.00000
216 -5.6445 1.00000
217 -5.6192 1.00000
218 -5.6166 1.00000
219 -5.5683 1.00000
220 -5.5422 1.00000
221 -5.5140 1.00000
222 -5.4629 1.00000
223 -5.3830 1.00000
224 -5.3547 1.00000
225 -5.2984 1.00000
226 -5.1894 1.00000
227 -5.1454 1.00000
228 -5.0731 1.00000
229 -5.0353 1.00000
230 -4.9343 1.00000
231 -4.8754 1.00000
232 -4.8668 1.00000
233 -4.8359 1.00000
234 -4.7626 1.00000
235 -4.7540 1.00000
236 -4.7451 1.00000
237 -4.7227 1.00000
238 -4.6477 1.00000
239 -4.6154 1.00000
240 -4.5289 1.00000
241 -4.5251 1.00000
242 -4.5056 1.00000
243 -4.5044 1.00000
244 -4.3817 1.00000
245 -4.3591 1.00000
246 -4.2820 1.00000
247 -4.1942 1.00000
248 -4.1796 1.00000
249 -4.0910 1.00000
250 -4.0624 1.00000
251 -4.0251 1.00000
252 -3.9919 1.00000
253 -3.9455 1.00000
254 -3.9362 1.00000
255 -3.9280 1.00000
256 -3.8609 1.00000
257 -3.8558 1.00000
258 -3.8271 1.00000
259 -3.7805 1.00000
260 -3.7623 1.00000
261 -3.7358 1.00000
262 -3.6785 1.00000
263 -3.6440 1.00000
264 -3.6100 1.00000
265 -3.5669 1.00000
266 -3.5332 1.00000
267 -3.5264 1.00000
268 -3.5185 1.00000
269 -3.5168 1.00000
270 -3.4550 1.00000
271 -3.3987 1.00000
272 -3.3585 1.00000
273 -3.3220 1.00000
274 -3.3068 1.00000
275 -3.2636 1.00000
276 -3.2497 1.00000
277 -3.1887 1.00000
278 -3.1776 1.00000
279 -3.1725 1.00000
280 -3.1404 1.00000
281 -3.1367 1.00000
282 -3.0747 1.00000
283 -3.0695 1.00000
284 -3.0380 1.00000
285 -3.0371 1.00000
286 -2.9458 1.00000
287 -2.9100 1.00000
288 -2.8828 1.00000
289 -2.8785 1.00000
290 -2.8561 1.00000
291 -2.8367 1.00000
292 -2.7982 1.00000
293 -2.7841 1.00000
294 -2.7823 1.00000
295 -2.7644 1.00000
296 -2.7604 1.00000
297 -2.7454 1.00000
298 -2.6992 1.00000
299 -2.6766 1.00000
300 -2.6765 1.00000
301 -2.6001 1.00000
302 -2.5992 1.00000
303 -2.5980 1.00000
304 -2.5593 1.00000
305 -2.4850 1.00000
306 -2.4715 1.00000
307 -2.4361 1.00000
308 -2.4351 1.00000
309 -2.3638 1.00000
310 -2.3592 1.00000
311 -2.3336 1.00000
312 -2.3272 1.00000
313 -2.2503 1.00000
314 -2.2137 1.00000
315 -2.1749 1.00000
316 -2.1467 1.00000
317 -2.1423 1.00000
318 -2.1375 1.00000
319 -2.0862 1.00000
320 -1.9934 1.00000
321 0.6598 0.00000
322 0.8840 0.00000
323 0.8934 0.00000
324 0.9215 0.00000
325 1.0398 0.00000
326 1.0702 0.00000
327 1.0739 0.00000
328 1.1159 0.00000
329 1.1352 0.00000
330 1.3260 0.00000
331 1.3793 0.00000
332 1.4141 0.00000
333 1.4354 0.00000
334 1.4359 0.00000
335 1.4983 0.00000
336 1.5170 0.00000
337 1.5322 0.00000
338 1.6117 0.00000
339 1.7042 0.00000
340 1.7336 0.00000
341 1.8972 0.00000
342 1.9040 0.00000
343 1.9668 0.00000
344 1.9703 0.00000
345 2.0463 0.00000
346 2.1083 0.00000
347 2.1256 0.00000
348 2.1396 0.00000
349 2.2323 0.00000
350 2.2562 0.00000
351 2.3277 0.00000
352 2.3463 0.00000
353 2.3479 0.00000
354 2.4983 0.00000
355 2.6379 0.00000
356 2.6761 0.00000
357 2.7675 0.00000
358 2.8358 0.00000
359 2.8977 0.00000
360 2.9132 0.00000
361 2.9874 0.00000
362 3.0314 0.00000
363 3.0338 0.00000
364 3.0776 0.00000
365 3.1350 0.00000
366 3.2233 0.00000
367 3.2269 0.00000
368 3.3769 0.00000
369 3.4759 0.00000
370 3.5190 0.00000
371 3.5243 0.00000
372 3.5406 0.00000
373 3.6732 0.00000
374 3.7643 0.00000
375 3.8252 0.00000
376 3.8351 0.00000
377 3.8557 0.00000
378 3.9764 0.00000
379 4.0141 0.00000
380 4.0220 0.00000
381 4.0953 0.00000
382 4.1038 0.00000
383 4.2087 0.00000
384 4.2556 0.00000
385 4.2624 0.00000
386 4.3436 0.00000
387 4.3715 0.00000
388 4.4010 0.00000
389 4.4035 0.00000
390 4.4141 0.00000
391 4.5800 0.00000
392 4.6226 0.00000
393 4.6989 0.00000
394 4.7320 0.00000
395 4.8344 0.00000
396 4.8823 0.00000
397 4.8923 0.00000
398 4.9088 0.00000
399 4.9527 0.00000
400 4.9676 0.00000
401 4.9714 0.00000
402 4.9963 0.00000
403 5.0304 0.00000
404 5.0383 0.00000
405 5.1352 0.00000
406 5.2762 0.00000
407 5.3132 0.00000
408 5.3284 0.00000
409 5.3362 0.00000
410 5.3549 0.00000
411 5.4245 0.00000
412 5.4714 0.00000
413 5.4926 0.00000
414 5.5152 0.00000
415 5.5324 0.00000
416 5.5487 0.00000
417 5.5740 0.00000
418 5.6961 0.00000
419 5.7071 0.00000
420 5.7549 0.00000
421 5.7655 0.00000
422 5.8072 0.00000
423 5.8342 0.00000
424 5.8795 0.00000
425 5.8984 0.00000
426 5.9176 0.00000
427 6.0738 0.00000
428 6.1182 0.00000
429 6.1324 0.00000
430 6.3013 0.00000
431 6.3368 0.00000
432 6.3725 0.00000
433 6.6506 0.00000
434 6.6562 0.00000
435 6.6873 0.00000
436 6.7019 0.00000
437 6.7636 0.00000
438 6.8101 0.00000
439 6.9219 0.00000
440 7.1122 0.00000
441 7.1325 0.00000
442 7.1917 0.00000
443 7.2083 0.00000
444 7.2129 0.00000
445 7.2159 0.00000
446 7.2282 0.00000
447 7.3814 0.00000
448 7.3928 0.00000
449 7.4069 0.00000
450 7.5654 0.00000
451 7.6788 0.00000
452 7.7397 0.00000
453 7.7977 0.00000
454 7.8431 0.00000
455 7.9126 0.00000
456 7.9792 0.00000
457 8.0164 0.00000
458 8.0262 0.00000
459 8.1290 0.00000
460 8.1533 0.00000
461 8.2036 0.00000
462 8.2329 0.00000
463 8.2539 0.00000
464 8.2951 0.00000
465 8.3728 0.00000
466 8.4157 0.00000
467 8.4325 0.00000
468 8.5048 0.00000
469 8.5429 0.00000
470 8.5625 0.00000
471 8.6073 0.00000
472 8.7575 0.00000
473 8.8792 0.00000
474 8.9053 0.00000
475 9.0834 0.00000
476 9.1768 0.00000
477 9.2829 0.00000
478 9.4061 0.00000
479 9.4294 0.00000
480 9.7227 0.00000
k-point 5 : 0.2500 0.2500 0.0000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3977 1.00000
3 -76.3970 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3924 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7497 1.00000
10 -40.7477 1.00000
11 -40.7475 1.00000
12 -40.7453 1.00000
13 -40.7432 1.00000
14 -40.7410 1.00000
15 -40.7400 1.00000
16 -40.7383 1.00000
17 -40.7276 1.00000
18 -40.7243 1.00000
19 -40.7238 1.00000
20 -40.7189 1.00000
21 -40.7168 1.00000
22 -40.7168 1.00000
23 -40.7128 1.00000
24 -40.7099 1.00000
25 -40.6667 1.00000
26 -40.6631 1.00000
27 -40.6598 1.00000
28 -40.6586 1.00000
29 -40.6561 1.00000
30 -40.6558 1.00000
31 -40.6516 1.00000
32 -40.6489 1.00000
33 -24.0200 1.00000
34 -24.0090 1.00000
35 -24.0075 1.00000
36 -24.0039 1.00000
37 -24.0009 1.00000
38 -23.9987 1.00000
39 -23.9970 1.00000
40 -23.9953 1.00000
41 -23.9941 1.00000
42 -23.9936 1.00000
43 -23.9887 1.00000
44 -23.9850 1.00000
45 -23.9832 1.00000
46 -23.9805 1.00000
47 -23.9775 1.00000
48 -23.9761 1.00000
49 -23.8789 1.00000
50 -23.8779 1.00000
51 -23.8584 1.00000
52 -23.8542 1.00000
53 -23.8428 1.00000
54 -23.8367 1.00000
55 -23.8259 1.00000
56 -23.8183 1.00000
57 -23.7933 1.00000
58 -23.7907 1.00000
59 -23.7894 1.00000
60 -23.7872 1.00000
61 -23.7830 1.00000
62 -23.7820 1.00000
63 -23.7805 1.00000
64 -23.7790 1.00000
65 -23.7773 1.00000
66 -23.7756 1.00000
67 -23.7713 1.00000
68 -23.7684 1.00000
69 -23.7644 1.00000
70 -23.7640 1.00000
71 -23.7612 1.00000
72 -23.7609 1.00000
73 -23.7583 1.00000
74 -23.7570 1.00000
75 -23.7418 1.00000
76 -23.7399 1.00000
77 -23.7344 1.00000
78 -23.7312 1.00000
79 -23.7247 1.00000
80 -23.7212 1.00000
81 -23.7199 1.00000
82 -23.7194 1.00000
83 -23.7194 1.00000
84 -23.7185 1.00000
85 -23.7159 1.00000
86 -23.7142 1.00000
87 -23.7131 1.00000
88 -23.7127 1.00000
89 -23.7110 1.00000
90 -23.7099 1.00000
91 -23.7086 1.00000
92 -23.7055 1.00000
93 -23.6877 1.00000
94 -23.6860 1.00000
95 -23.6790 1.00000
96 -23.6763 1.00000
97 -23.6343 1.00000
98 -23.6328 1.00000
99 -23.6239 1.00000
100 -23.6233 1.00000
101 -23.6177 1.00000
102 -23.6166 1.00000
103 -23.6127 1.00000
104 -23.6101 1.00000
105 -23.5970 1.00000
106 -23.5936 1.00000
107 -23.5931 1.00000
108 -23.5881 1.00000
109 -23.5850 1.00000
110 -23.5798 1.00000
111 -23.5729 1.00000
112 -23.5650 1.00000
113 -20.2270 1.00000
114 -20.0109 1.00000
115 -19.9453 1.00000
116 -19.7979 1.00000
117 -19.6249 1.00000
118 -19.5791 1.00000
119 -19.5150 1.00000
120 -19.5102 1.00000
121 -19.3623 1.00000
122 -19.2958 1.00000
123 -19.2777 1.00000
124 -19.2557 1.00000
125 -19.2441 1.00000
126 -19.2396 1.00000
127 -19.1570 1.00000
128 -19.1226 1.00000
129 -18.9079 1.00000
130 -18.8713 1.00000
131 -18.8711 1.00000
132 -18.8546 1.00000
133 -18.8349 1.00000
134 -18.7711 1.00000
135 -18.7660 1.00000
136 -18.7061 1.00000
137 -18.6625 1.00000
138 -18.6154 1.00000
139 -18.5751 1.00000
140 -18.5563 1.00000
141 -18.4785 1.00000
142 -18.4710 1.00000
143 -18.4257 1.00000
144 -18.4176 1.00000
145 -18.3142 1.00000
146 -18.3052 1.00000
147 -18.2910 1.00000
148 -18.2724 1.00000
149 -18.2412 1.00000
150 -18.2331 1.00000
151 -18.2132 1.00000
152 -18.2083 1.00000
153 -17.9653 1.00000
154 -17.9624 1.00000
155 -17.9168 1.00000
156 -17.9161 1.00000
157 -17.6165 1.00000
158 -17.5983 1.00000
159 -17.5640 1.00000
160 -17.5617 1.00000
161 -11.7026 1.00000
162 -11.6572 1.00000
163 -11.5302 1.00000
164 -11.5142 1.00000
165 -11.2704 1.00000
166 -11.2555 1.00000
167 -11.1482 1.00000
168 -11.1032 1.00000
169 -10.6547 1.00000
170 -10.5878 1.00000
171 -10.5642 1.00000
172 -10.5056 1.00000
173 -10.1709 1.00000
174 -10.1484 1.00000
175 -10.0382 1.00000
176 -9.9787 1.00000
177 -7.4525 1.00000
178 -7.3487 1.00000
179 -7.3182 1.00000
180 -7.2522 1.00000
181 -7.2014 1.00000
182 -7.1793 1.00000
183 -7.0826 1.00000
184 -7.0812 1.00000
185 -7.0526 1.00000
186 -6.9923 1.00000
187 -6.9640 1.00000
188 -6.9017 1.00000
189 -6.8917 1.00000
190 -6.8844 1.00000
191 -6.7687 1.00000
192 -6.6595 1.00000
193 -6.6078 1.00000
194 -6.5867 1.00000
195 -6.5432 1.00000
196 -6.4605 1.00000
197 -6.3711 1.00000
198 -6.3618 1.00000
199 -6.3287 1.00000
200 -6.2701 1.00000
201 -6.2700 1.00000
202 -6.1725 1.00000
203 -6.1580 1.00000
204 -6.1492 1.00000
205 -6.0913 1.00000
206 -6.0347 1.00000
207 -6.0090 1.00000
208 -6.0052 1.00000
209 -5.9908 1.00000
210 -5.9694 1.00000
211 -5.9153 1.00000
212 -5.8691 1.00000
213 -5.8501 1.00000
214 -5.8444 1.00000
215 -5.7300 1.00000
216 -5.6795 1.00000
217 -5.6690 1.00000
218 -5.6379 1.00000
219 -5.5609 1.00000
220 -5.5525 1.00000
221 -5.4970 1.00000
222 -5.4387 1.00000
223 -5.4299 1.00000
224 -5.3529 1.00000
225 -5.2839 1.00000
226 -5.2003 1.00000
227 -5.1410 1.00000
228 -5.1315 1.00000
229 -4.9537 1.00000
230 -4.9070 1.00000
231 -4.8867 1.00000
232 -4.8723 1.00000
233 -4.8602 1.00000
234 -4.7801 1.00000
235 -4.7664 1.00000
236 -4.6826 1.00000
237 -4.6803 1.00000
238 -4.6174 1.00000
239 -4.5926 1.00000
240 -4.5880 1.00000
241 -4.4941 1.00000
242 -4.4749 1.00000
243 -4.3728 1.00000
244 -4.3710 1.00000
245 -4.3231 1.00000
246 -4.2421 1.00000
247 -4.2403 1.00000
248 -4.2309 1.00000
249 -4.1083 1.00000
250 -4.1065 1.00000
251 -4.0481 1.00000
252 -4.0454 1.00000
253 -3.9525 1.00000
254 -3.9389 1.00000
255 -3.9074 1.00000
256 -3.8356 1.00000
257 -3.8251 1.00000
258 -3.8240 1.00000
259 -3.8207 1.00000
260 -3.7335 1.00000
261 -3.6557 1.00000
262 -3.6431 1.00000
263 -3.6351 1.00000
264 -3.5876 1.00000
265 -3.5348 1.00000
266 -3.5312 1.00000
267 -3.4867 1.00000
268 -3.4824 1.00000
269 -3.4641 1.00000
270 -3.4419 1.00000
271 -3.4255 1.00000
272 -3.3509 1.00000
273 -3.3493 1.00000
274 -3.2855 1.00000
275 -3.2784 1.00000
276 -3.2413 1.00000
277 -3.2071 1.00000
278 -3.1988 1.00000
279 -3.1893 1.00000
280 -3.1222 1.00000
281 -3.1033 1.00000
282 -3.0935 1.00000
283 -3.0821 1.00000
284 -3.0324 1.00000
285 -2.9866 1.00000
286 -2.9648 1.00000
287 -2.9579 1.00000
288 -2.9078 1.00000
289 -2.8865 1.00000
290 -2.8733 1.00000
291 -2.8327 1.00000
292 -2.8198 1.00000
293 -2.7901 1.00000
294 -2.7881 1.00000
295 -2.7548 1.00000
296 -2.7464 1.00000
297 -2.7326 1.00000
298 -2.7096 1.00000
299 -2.6821 1.00000
300 -2.6818 1.00000
301 -2.6493 1.00000
302 -2.6423 1.00000
303 -2.6359 1.00000
304 -2.5538 1.00000
305 -2.5044 1.00000
306 -2.4718 1.00000
307 -2.4667 1.00000
308 -2.4485 1.00000
309 -2.4056 1.00000
310 -2.3316 1.00000
311 -2.3141 1.00000
312 -2.3100 1.00000
313 -2.3055 1.00000
314 -2.2979 1.00000
315 -2.1963 1.00000
316 -2.1860 1.00000
317 -2.1607 1.00000
318 -2.0802 1.00000
319 -2.0664 1.00000
320 -1.9703 1.00000
321 0.7252 0.00000
322 0.8915 0.00000
323 0.9184 0.00000
324 0.9806 0.00000
325 1.0361 0.00000
326 1.0908 0.00000
327 1.1103 0.00000
328 1.1159 0.00000
329 1.2082 0.00000
330 1.3180 0.00000
331 1.3444 0.00000
332 1.3658 0.00000
333 1.3760 0.00000
334 1.4162 0.00000
335 1.5126 0.00000
336 1.5629 0.00000
337 1.5795 0.00000
338 1.6633 0.00000
339 1.6721 0.00000
340 1.7806 0.00000
341 1.8165 0.00000
342 1.8264 0.00000
343 1.9510 0.00000
344 1.9734 0.00000
345 2.0509 0.00000
346 2.0669 0.00000
347 2.1290 0.00000
348 2.1462 0.00000
349 2.1593 0.00000
350 2.1741 0.00000
351 2.2727 0.00000
352 2.3553 0.00000
353 2.3721 0.00000
354 2.5385 0.00000
355 2.5758 0.00000
356 2.6784 0.00000
357 2.7465 0.00000
358 2.7728 0.00000
359 2.8630 0.00000
360 2.9063 0.00000
361 2.9349 0.00000
362 3.0032 0.00000
363 3.0392 0.00000
364 3.1836 0.00000
365 3.1862 0.00000
366 3.2570 0.00000
367 3.3803 0.00000
368 3.3935 0.00000
369 3.5136 0.00000
370 3.5562 0.00000
371 3.5726 0.00000
372 3.6571 0.00000
373 3.7064 0.00000
374 3.7253 0.00000
375 3.7774 0.00000
376 3.8740 0.00000
377 3.8959 0.00000
378 3.9295 0.00000
379 4.0080 0.00000
380 4.0816 0.00000
381 4.0912 0.00000
382 4.1488 0.00000
383 4.2086 0.00000
384 4.2268 0.00000
385 4.2903 0.00000
386 4.3222 0.00000
387 4.3593 0.00000
388 4.3867 0.00000
389 4.4910 0.00000
390 4.4982 0.00000
391 4.5398 0.00000
392 4.6479 0.00000
393 4.6524 0.00000
394 4.6558 0.00000
395 4.7913 0.00000
396 4.7963 0.00000
397 4.8148 0.00000
398 4.8531 0.00000
399 4.9170 0.00000
400 4.9197 0.00000
401 4.9425 0.00000
402 5.0155 0.00000
403 5.0268 0.00000
404 5.0293 0.00000
405 5.0931 0.00000
406 5.1106 0.00000
407 5.2121 0.00000
408 5.2457 0.00000
409 5.2506 0.00000
410 5.4155 0.00000
411 5.4545 0.00000
412 5.4735 0.00000
413 5.4743 0.00000
414 5.4978 0.00000
415 5.5587 0.00000
416 5.5994 0.00000
417 5.6479 0.00000
418 5.6665 0.00000
419 5.7706 0.00000
420 5.8515 0.00000
421 5.8604 0.00000
422 5.8740 0.00000
423 5.9077 0.00000
424 5.9281 0.00000
425 6.1036 0.00000
426 6.1383 0.00000
427 6.1763 0.00000
428 6.1779 0.00000
429 6.1835 0.00000
430 6.2129 0.00000
431 6.3627 0.00000
432 6.4169 0.00000
433 6.4268 0.00000
434 6.4694 0.00000
435 6.6974 0.00000
436 6.8724 0.00000
437 6.8732 0.00000
438 6.9658 0.00000
439 7.0079 0.00000
440 7.0212 0.00000
441 7.0640 0.00000
442 7.0784 0.00000
443 7.1983 0.00000
444 7.2229 0.00000
445 7.2445 0.00000
446 7.3448 0.00000
447 7.3886 0.00000
448 7.4375 0.00000
449 7.4881 0.00000
450 7.5105 0.00000
451 7.5762 0.00000
452 7.5834 0.00000
453 7.6457 0.00000
454 7.7086 0.00000
455 7.8246 0.00000
456 7.8500 0.00000
457 7.8645 0.00000
458 7.8703 0.00000
459 7.9637 0.00000
460 8.0294 0.00000
461 8.1135 0.00000
462 8.1768 0.00000
463 8.1804 0.00000
464 8.2191 0.00000
465 8.2662 0.00000
466 8.3728 0.00000
467 8.3751 0.00000
468 8.4150 0.00000
469 8.5636 0.00000
470 8.6265 0.00000
471 8.6419 0.00000
472 8.7044 0.00000
473 8.7435 0.00000
474 8.7623 0.00000
475 8.7854 0.00000
476 8.8297 0.00000
477 8.8628 0.00000
478 8.9313 0.00000
479 8.9915 0.00000
480 9.0100 0.00000
k-point 6 : -0.2500 0.2500 0.0000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3977 1.00000
3 -76.3970 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3924 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7498 1.00000
10 -40.7477 1.00000
11 -40.7476 1.00000
12 -40.7453 1.00000
13 -40.7428 1.00000
14 -40.7406 1.00000
15 -40.7403 1.00000
16 -40.7385 1.00000
17 -40.7277 1.00000
18 -40.7243 1.00000
19 -40.7240 1.00000
20 -40.7187 1.00000
21 -40.7167 1.00000
22 -40.7167 1.00000
23 -40.7129 1.00000
24 -40.7099 1.00000
25 -40.6667 1.00000
26 -40.6631 1.00000
27 -40.6598 1.00000
28 -40.6586 1.00000
29 -40.6560 1.00000
30 -40.6558 1.00000
31 -40.6516 1.00000
32 -40.6489 1.00000
33 -24.0200 1.00000
34 -24.0090 1.00000
35 -24.0075 1.00000
36 -24.0040 1.00000
37 -24.0008 1.00000
38 -23.9987 1.00000
39 -23.9969 1.00000
40 -23.9952 1.00000
41 -23.9941 1.00000
42 -23.9937 1.00000
43 -23.9887 1.00000
44 -23.9849 1.00000
45 -23.9832 1.00000
46 -23.9805 1.00000
47 -23.9776 1.00000
48 -23.9762 1.00000
49 -23.8789 1.00000
50 -23.8779 1.00000
51 -23.8584 1.00000
52 -23.8542 1.00000
53 -23.8428 1.00000
54 -23.8367 1.00000
55 -23.8259 1.00000
56 -23.8183 1.00000
57 -23.7932 1.00000
58 -23.7909 1.00000
59 -23.7894 1.00000
60 -23.7873 1.00000
61 -23.7827 1.00000
62 -23.7822 1.00000
63 -23.7805 1.00000
64 -23.7790 1.00000
65 -23.7773 1.00000
66 -23.7756 1.00000
67 -23.7713 1.00000
68 -23.7685 1.00000
69 -23.7644 1.00000
70 -23.7640 1.00000
71 -23.7612 1.00000
72 -23.7609 1.00000
73 -23.7584 1.00000
74 -23.7569 1.00000
75 -23.7418 1.00000
76 -23.7399 1.00000
77 -23.7344 1.00000
78 -23.7312 1.00000
79 -23.7247 1.00000
80 -23.7212 1.00000
81 -23.7198 1.00000
82 -23.7194 1.00000
83 -23.7194 1.00000
84 -23.7185 1.00000
85 -23.7159 1.00000
86 -23.7144 1.00000
87 -23.7130 1.00000
88 -23.7127 1.00000
89 -23.7110 1.00000
90 -23.7099 1.00000
91 -23.7086 1.00000
92 -23.7055 1.00000
93 -23.6877 1.00000
94 -23.6860 1.00000
95 -23.6790 1.00000
96 -23.6763 1.00000
97 -23.6343 1.00000
98 -23.6328 1.00000
99 -23.6240 1.00000
100 -23.6233 1.00000
101 -23.6177 1.00000
102 -23.6166 1.00000
103 -23.6127 1.00000
104 -23.6101 1.00000
105 -23.5970 1.00000
106 -23.5936 1.00000
107 -23.5931 1.00000
108 -23.5881 1.00000
109 -23.5850 1.00000
110 -23.5798 1.00000
111 -23.5729 1.00000
112 -23.5650 1.00000
113 -20.2271 1.00000
114 -20.0107 1.00000
115 -19.9450 1.00000
116 -19.7987 1.00000
117 -19.6252 1.00000
118 -19.5777 1.00000
119 -19.5161 1.00000
120 -19.5101 1.00000
121 -19.3614 1.00000
122 -19.2963 1.00000
123 -19.2778 1.00000
124 -19.2557 1.00000
125 -19.2440 1.00000
126 -19.2396 1.00000
127 -19.1570 1.00000
128 -19.1225 1.00000
129 -18.9075 1.00000
130 -18.8718 1.00000
131 -18.8714 1.00000
132 -18.8546 1.00000
133 -18.8345 1.00000
134 -18.7709 1.00000
135 -18.7662 1.00000
136 -18.7061 1.00000
137 -18.6623 1.00000
138 -18.6155 1.00000
139 -18.5752 1.00000
140 -18.5563 1.00000
141 -18.4785 1.00000
142 -18.4710 1.00000
143 -18.4256 1.00000
144 -18.4177 1.00000
145 -18.3142 1.00000
146 -18.3052 1.00000
147 -18.2910 1.00000
148 -18.2724 1.00000
149 -18.2412 1.00000
150 -18.2331 1.00000
151 -18.2132 1.00000
152 -18.2083 1.00000
153 -17.9653 1.00000
154 -17.9624 1.00000
155 -17.9169 1.00000
156 -17.9161 1.00000
157 -17.6165 1.00000
158 -17.5983 1.00000
159 -17.5640 1.00000
160 -17.5617 1.00000
161 -11.7026 1.00000
162 -11.6572 1.00000
163 -11.5301 1.00000
164 -11.5142 1.00000
165 -11.2703 1.00000
166 -11.2555 1.00000
167 -11.1483 1.00000
168 -11.1032 1.00000
169 -10.6548 1.00000
170 -10.5877 1.00000
171 -10.5642 1.00000
172 -10.5056 1.00000
173 -10.1710 1.00000
174 -10.1483 1.00000
175 -10.0382 1.00000
176 -9.9786 1.00000
177 -7.4534 1.00000
178 -7.3499 1.00000
179 -7.3176 1.00000
180 -7.2516 1.00000
181 -7.1998 1.00000
182 -7.1785 1.00000
183 -7.0834 1.00000
184 -7.0812 1.00000
185 -7.0527 1.00000
186 -6.9912 1.00000
187 -6.9639 1.00000
188 -6.9019 1.00000
189 -6.8922 1.00000
190 -6.8840 1.00000
191 -6.7694 1.00000
192 -6.6599 1.00000
193 -6.6089 1.00000
194 -6.5876 1.00000
195 -6.5426 1.00000
196 -6.4607 1.00000
197 -6.3715 1.00000
198 -6.3614 1.00000
199 -6.3288 1.00000
200 -6.2705 1.00000
201 -6.2704 1.00000
202 -6.1728 1.00000
203 -6.1583 1.00000
204 -6.1485 1.00000
205 -6.0912 1.00000
206 -6.0345 1.00000
207 -6.0079 1.00000
208 -6.0048 1.00000
209 -5.9906 1.00000
210 -5.9685 1.00000
211 -5.9144 1.00000
212 -5.8695 1.00000
213 -5.8500 1.00000
214 -5.8439 1.00000
215 -5.7298 1.00000
216 -5.6799 1.00000
217 -5.6694 1.00000
218 -5.6382 1.00000
219 -5.5618 1.00000
220 -5.5517 1.00000
221 -5.4977 1.00000
222 -5.4393 1.00000
223 -5.4291 1.00000
224 -5.3532 1.00000
225 -5.2839 1.00000
226 -5.2003 1.00000
227 -5.1415 1.00000
228 -5.1315 1.00000
229 -4.9538 1.00000
230 -4.9064 1.00000
231 -4.8867 1.00000
232 -4.8723 1.00000
233 -4.8601 1.00000
234 -4.7805 1.00000
235 -4.7665 1.00000
236 -4.6824 1.00000
237 -4.6800 1.00000
238 -4.6175 1.00000
239 -4.5923 1.00000
240 -4.5885 1.00000
241 -4.4940 1.00000
242 -4.4743 1.00000
243 -4.3735 1.00000
244 -4.3710 1.00000
245 -4.3234 1.00000
246 -4.2419 1.00000
247 -4.2400 1.00000
248 -4.2308 1.00000
249 -4.1084 1.00000
250 -4.1065 1.00000
251 -4.0486 1.00000
252 -4.0451 1.00000
253 -3.9524 1.00000
254 -3.9390 1.00000
255 -3.9072 1.00000
256 -3.8349 1.00000
257 -3.8252 1.00000
258 -3.8238 1.00000
259 -3.8205 1.00000
260 -3.7336 1.00000
261 -3.6559 1.00000
262 -3.6434 1.00000
263 -3.6351 1.00000
264 -3.5880 1.00000
265 -3.5347 1.00000
266 -3.5310 1.00000
267 -3.4866 1.00000
268 -3.4824 1.00000
269 -3.4643 1.00000
270 -3.4417 1.00000
271 -3.4256 1.00000
272 -3.3507 1.00000
273 -3.3498 1.00000
274 -3.2857 1.00000
275 -3.2785 1.00000
276 -3.2414 1.00000
277 -3.2070 1.00000
278 -3.1986 1.00000
279 -3.1896 1.00000
280 -3.1222 1.00000
281 -3.1035 1.00000
282 -3.0936 1.00000
283 -3.0818 1.00000
284 -3.0322 1.00000
285 -2.9863 1.00000
286 -2.9646 1.00000
287 -2.9580 1.00000
288 -2.9079 1.00000
289 -2.8866 1.00000
290 -2.8736 1.00000
291 -2.8325 1.00000
292 -2.8197 1.00000
293 -2.7901 1.00000
294 -2.7880 1.00000
295 -2.7549 1.00000
296 -2.7465 1.00000
297 -2.7324 1.00000
298 -2.7095 1.00000
299 -2.6821 1.00000
300 -2.6818 1.00000
301 -2.6491 1.00000
302 -2.6423 1.00000
303 -2.6362 1.00000
304 -2.5539 1.00000
305 -2.5043 1.00000
306 -2.4719 1.00000
307 -2.4664 1.00000
308 -2.4488 1.00000
309 -2.4057 1.00000
310 -2.3315 1.00000
311 -2.3141 1.00000
312 -2.3100 1.00000
313 -2.3052 1.00000
314 -2.2975 1.00000
315 -2.1966 1.00000
316 -2.1861 1.00000
317 -2.1610 1.00000
318 -2.0803 1.00000
319 -2.0664 1.00000
320 -1.9701 1.00000
321 0.7253 0.00000
322 0.8915 0.00000
323 0.9183 0.00000
324 0.9806 0.00000
325 1.0362 0.00000
326 1.0909 0.00000
327 1.1102 0.00000
328 1.1162 0.00000
329 1.2075 0.00000
330 1.3178 0.00000
331 1.3444 0.00000
332 1.3658 0.00000
333 1.3760 0.00000
334 1.4165 0.00000
335 1.5128 0.00000
336 1.5631 0.00000
337 1.5792 0.00000
338 1.6633 0.00000
339 1.6723 0.00000
340 1.7806 0.00000
341 1.8164 0.00000
342 1.8266 0.00000
343 1.9511 0.00000
344 1.9737 0.00000
345 2.0507 0.00000
346 2.0671 0.00000
347 2.1288 0.00000
348 2.1459 0.00000
349 2.1589 0.00000
350 2.1741 0.00000
351 2.2729 0.00000
352 2.3553 0.00000
353 2.3722 0.00000
354 2.5388 0.00000
355 2.5757 0.00000
356 2.6787 0.00000
357 2.7465 0.00000
358 2.7729 0.00000
359 2.8629 0.00000
360 2.9060 0.00000
361 2.9347 0.00000
362 3.0033 0.00000
363 3.0395 0.00000
364 3.1836 0.00000
365 3.1864 0.00000
366 3.2563 0.00000
367 3.3803 0.00000
368 3.3936 0.00000
369 3.5142 0.00000
370 3.5561 0.00000
371 3.5727 0.00000
372 3.6567 0.00000
373 3.7056 0.00000
374 3.7251 0.00000
375 3.7777 0.00000
376 3.8744 0.00000
377 3.8960 0.00000
378 3.9294 0.00000
379 4.0081 0.00000
380 4.0810 0.00000
381 4.0918 0.00000
382 4.1489 0.00000
383 4.2082 0.00000
384 4.2279 0.00000
385 4.2901 0.00000
386 4.3223 0.00000
387 4.3589 0.00000
388 4.3869 0.00000
389 4.4910 0.00000
390 4.4980 0.00000
391 4.5395 0.00000
392 4.6480 0.00000
393 4.6524 0.00000
394 4.6560 0.00000
395 4.7916 0.00000
396 4.7962 0.00000
397 4.8146 0.00000
398 4.8528 0.00000
399 4.9169 0.00000
400 4.9196 0.00000
401 4.9424 0.00000
402 5.0158 0.00000
403 5.0269 0.00000
404 5.0292 0.00000
405 5.0934 0.00000
406 5.1106 0.00000
407 5.2122 0.00000
408 5.2455 0.00000
409 5.2502 0.00000
410 5.4153 0.00000
411 5.4544 0.00000
412 5.4740 0.00000
413 5.4745 0.00000
414 5.4977 0.00000
415 5.5585 0.00000
416 5.5994 0.00000
417 5.6478 0.00000
418 5.6666 0.00000
419 5.7707 0.00000
420 5.8516 0.00000
421 5.8604 0.00000
422 5.8739 0.00000
423 5.9075 0.00000
424 5.9282 0.00000
425 6.1035 0.00000
426 6.1382 0.00000
427 6.1764 0.00000
428 6.1779 0.00000
429 6.1835 0.00000
430 6.2130 0.00000
431 6.3627 0.00000
432 6.4169 0.00000
433 6.4268 0.00000
434 6.4694 0.00000
435 6.6974 0.00000
436 6.8724 0.00000
437 6.8733 0.00000
438 6.9659 0.00000
439 7.0105 0.00000
440 7.0214 0.00000
441 7.0638 0.00000
442 7.0843 0.00000
443 7.1984 0.00000
444 7.2230 0.00000
445 7.2445 0.00000
446 7.3452 0.00000
447 7.3893 0.00000
448 7.4881 0.00000
449 7.5517 0.00000
450 7.5755 0.00000
451 7.5894 0.00000
452 7.5927 0.00000
453 7.7223 0.00000
454 7.7383 0.00000
455 7.8249 0.00000
456 7.9575 0.00000
457 8.0258 0.00000
458 8.0266 0.00000
459 8.0447 0.00000
460 8.1929 0.00000
461 8.2423 0.00000
462 8.2880 0.00000
463 8.3120 0.00000
464 8.4088 0.00000
465 8.4805 0.00000
466 8.5058 0.00000
467 8.5811 0.00000
468 8.6484 0.00000
469 8.7154 0.00000
470 8.7441 0.00000
471 8.8792 0.00000
472 8.9259 0.00000
473 8.9541 0.00000
474 9.0472 0.00000
475 9.4698 0.00000
476 9.5095 0.00000
477 9.5281 0.00000
478 9.8381 0.00000
479 10.1956 0.00000
480 10.7629 0.00000
k-point 7 : 0.5000 0.2500 0.0000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3977 1.00000
3 -76.3969 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3924 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7490 1.00000
10 -40.7483 1.00000
11 -40.7474 1.00000
12 -40.7461 1.00000
13 -40.7421 1.00000
14 -40.7417 1.00000
15 -40.7394 1.00000
16 -40.7389 1.00000
17 -40.7280 1.00000
18 -40.7248 1.00000
19 -40.7228 1.00000
20 -40.7199 1.00000
21 -40.7163 1.00000
22 -40.7155 1.00000
23 -40.7130 1.00000
24 -40.7106 1.00000
25 -40.6667 1.00000
26 -40.6631 1.00000
27 -40.6599 1.00000
28 -40.6586 1.00000
29 -40.6561 1.00000
30 -40.6557 1.00000
31 -40.6516 1.00000
32 -40.6489 1.00000
33 -24.0150 1.00000
34 -24.0146 1.00000
35 -24.0033 1.00000
36 -24.0030 1.00000
37 -24.0029 1.00000
38 -24.0005 1.00000
39 -23.9963 1.00000
40 -23.9959 1.00000
41 -23.9947 1.00000
42 -23.9944 1.00000
43 -23.9885 1.00000
44 -23.9868 1.00000
45 -23.9816 1.00000
46 -23.9785 1.00000
47 -23.9785 1.00000
48 -23.9765 1.00000
49 -23.8787 1.00000
50 -23.8783 1.00000
51 -23.8581 1.00000
52 -23.8547 1.00000
53 -23.8400 1.00000
54 -23.8396 1.00000
55 -23.8238 1.00000
56 -23.8207 1.00000
57 -23.7924 1.00000
58 -23.7919 1.00000
59 -23.7887 1.00000
60 -23.7883 1.00000
61 -23.7827 1.00000
62 -23.7822 1.00000
63 -23.7789 1.00000
64 -23.7787 1.00000
65 -23.7786 1.00000
66 -23.7758 1.00000
67 -23.7709 1.00000
68 -23.7689 1.00000
69 -23.7639 1.00000
70 -23.7635 1.00000
71 -23.7619 1.00000
72 -23.7609 1.00000
73 -23.7578 1.00000
74 -23.7573 1.00000
75 -23.7411 1.00000
76 -23.7408 1.00000
77 -23.7342 1.00000
78 -23.7313 1.00000
79 -23.7239 1.00000
80 -23.7213 1.00000
81 -23.7199 1.00000
82 -23.7199 1.00000
83 -23.7195 1.00000
84 -23.7194 1.00000
85 -23.7152 1.00000
86 -23.7139 1.00000
87 -23.7137 1.00000
88 -23.7134 1.00000
89 -23.7098 1.00000
90 -23.7090 1.00000
91 -23.7084 1.00000
92 -23.7064 1.00000
93 -23.6835 1.00000
94 -23.6831 1.00000
95 -23.6824 1.00000
96 -23.6796 1.00000
97 -23.6308 1.00000
98 -23.6291 1.00000
99 -23.6287 1.00000
100 -23.6281 1.00000
101 -23.6156 1.00000
102 -23.6152 1.00000
103 -23.6150 1.00000
104 -23.6123 1.00000
105 -23.5952 1.00000
106 -23.5949 1.00000
107 -23.5917 1.00000
108 -23.5890 1.00000
109 -23.5786 1.00000
110 -23.5783 1.00000
111 -23.5732 1.00000
112 -23.5705 1.00000
113 -20.1415 1.00000
114 -20.1337 1.00000
115 -19.8865 1.00000
116 -19.8788 1.00000
117 -19.5450 1.00000
118 -19.5404 1.00000
119 -19.5383 1.00000
120 -19.5343 1.00000
121 -19.3294 1.00000
122 -19.3278 1.00000
123 -19.2665 1.00000
124 -19.2634 1.00000
125 -19.2574 1.00000
126 -19.2502 1.00000
127 -19.1400 1.00000
128 -19.1354 1.00000
129 -18.8908 1.00000
130 -18.8882 1.00000
131 -18.8231 1.00000
132 -18.8219 1.00000
133 -18.8196 1.00000
134 -18.8173 1.00000
135 -18.7707 1.00000
136 -18.7685 1.00000
137 -18.6354 1.00000
138 -18.6319 1.00000
139 -18.5651 1.00000
140 -18.5649 1.00000
141 -18.4697 1.00000
142 -18.4686 1.00000
143 -18.4253 1.00000
144 -18.4245 1.00000
145 -18.2970 1.00000
146 -18.2961 1.00000
147 -18.2954 1.00000
148 -18.2943 1.00000
149 -18.2404 1.00000
150 -18.2386 1.00000
151 -18.2084 1.00000
152 -18.2070 1.00000
153 -17.9645 1.00000
154 -17.9620 1.00000
155 -17.9173 1.00000
156 -17.9166 1.00000
157 -17.6082 1.00000
158 -17.6058 1.00000
159 -17.5632 1.00000
160 -17.5626 1.00000
161 -11.6169 1.00000
162 -11.6165 1.00000
163 -11.5936 1.00000
164 -11.5904 1.00000
165 -11.2128 1.00000
166 -11.2096 1.00000
167 -11.1820 1.00000
168 -11.1816 1.00000
169 -10.6221 1.00000
170 -10.6180 1.00000
171 -10.5343 1.00000
172 -10.5340 1.00000
173 -10.1560 1.00000
174 -10.1511 1.00000
175 -10.0080 1.00000
176 -10.0074 1.00000
177 -7.4008 1.00000
178 -7.3945 1.00000
179 -7.3015 1.00000
180 -7.2974 1.00000
181 -7.1580 1.00000
182 -7.1557 1.00000
183 -7.0785 1.00000
184 -7.0782 1.00000
185 -6.9970 1.00000
186 -6.9934 1.00000
187 -6.9373 1.00000
188 -6.9327 1.00000
189 -6.8635 1.00000
190 -6.8615 1.00000
191 -6.7716 1.00000
192 -6.7700 1.00000
193 -6.5843 1.00000
194 -6.5829 1.00000
195 -6.4803 1.00000
196 -6.4746 1.00000
197 -6.4444 1.00000
198 -6.4421 1.00000
199 -6.3259 1.00000
200 -6.3230 1.00000
201 -6.1654 1.00000
202 -6.1643 1.00000
203 -6.1486 1.00000
204 -6.1452 1.00000
205 -6.1011 1.00000
206 -6.0994 1.00000
207 -6.0759 1.00000
208 -6.0751 1.00000
209 -5.9084 1.00000
210 -5.9074 1.00000
211 -5.8724 1.00000
212 -5.8702 1.00000
213 -5.7699 1.00000
214 -5.7691 1.00000
215 -5.7684 1.00000
216 -5.7680 1.00000
217 -5.6862 1.00000
218 -5.6848 1.00000
219 -5.6170 1.00000
220 -5.6164 1.00000
221 -5.4639 1.00000
222 -5.4628 1.00000
223 -5.3745 1.00000
224 -5.3734 1.00000
225 -5.3302 1.00000
226 -5.3275 1.00000
227 -4.9946 1.00000
228 -4.9929 1.00000
229 -4.9922 1.00000
230 -4.9919 1.00000
231 -4.9024 1.00000
232 -4.9008 1.00000
233 -4.8512 1.00000
234 -4.8508 1.00000
235 -4.6925 1.00000
236 -4.6919 1.00000
237 -4.6730 1.00000
238 -4.6719 1.00000
239 -4.4698 1.00000
240 -4.4649 1.00000
241 -4.4610 1.00000
242 -4.4602 1.00000
243 -4.3641 1.00000
244 -4.3615 1.00000
245 -4.3055 1.00000
246 -4.3042 1.00000
247 -4.1926 1.00000
248 -4.1923 1.00000
249 -4.1691 1.00000
250 -4.1668 1.00000
251 -4.0506 1.00000
252 -4.0486 1.00000
253 -3.9790 1.00000
254 -3.9778 1.00000
255 -3.8341 1.00000
256 -3.8334 1.00000
257 -3.8034 1.00000
258 -3.8025 1.00000
259 -3.7349 1.00000
260 -3.7345 1.00000
261 -3.6788 1.00000
262 -3.6772 1.00000
263 -3.5853 1.00000
264 -3.5831 1.00000
265 -3.5371 1.00000
266 -3.5366 1.00000
267 -3.4929 1.00000
268 -3.4917 1.00000
269 -3.3930 1.00000
270 -3.3925 1.00000
271 -3.3724 1.00000
272 -3.3711 1.00000
273 -3.3111 1.00000
274 -3.3109 1.00000
275 -3.2793 1.00000
276 -3.2768 1.00000
277 -3.2313 1.00000
278 -3.2304 1.00000
279 -3.1290 1.00000
280 -3.1226 1.00000
281 -3.0783 1.00000
282 -3.0763 1.00000
283 -3.0369 1.00000
284 -3.0360 1.00000
285 -2.9906 1.00000
286 -2.9889 1.00000
287 -2.9189 1.00000
288 -2.9173 1.00000
289 -2.9165 1.00000
290 -2.9149 1.00000
291 -2.8399 1.00000
292 -2.8393 1.00000
293 -2.8017 1.00000
294 -2.8003 1.00000
295 -2.7701 1.00000
296 -2.7689 1.00000
297 -2.7381 1.00000
298 -2.7375 1.00000
299 -2.7061 1.00000
300 -2.7055 1.00000
301 -2.6826 1.00000
302 -2.6815 1.00000
303 -2.5582 1.00000
304 -2.5577 1.00000
305 -2.5119 1.00000
306 -2.5110 1.00000
307 -2.4985 1.00000
308 -2.4959 1.00000
309 -2.4453 1.00000
310 -2.4446 1.00000
311 -2.3096 1.00000
312 -2.3069 1.00000
313 -2.2503 1.00000
314 -2.2493 1.00000
315 -2.2353 1.00000
316 -2.2346 1.00000
317 -2.0944 1.00000
318 -2.0930 1.00000
319 -2.0244 1.00000
320 -2.0237 1.00000
321 0.8486 0.00000
322 0.8496 0.00000
323 0.9875 0.00000
324 0.9915 0.00000
325 1.0921 0.00000
326 1.0963 0.00000
327 1.1367 0.00000
328 1.1405 0.00000
329 1.2535 0.00000
330 1.2541 0.00000
331 1.2624 0.00000
332 1.2628 0.00000
333 1.4661 0.00000
334 1.4675 0.00000
335 1.5729 0.00000
336 1.5734 0.00000
337 1.5984 0.00000
338 1.5999 0.00000
339 1.7486 0.00000
340 1.7502 0.00000
341 1.7744 0.00000
342 1.7762 0.00000
343 1.9295 0.00000
344 1.9318 0.00000
345 2.0228 0.00000
346 2.0235 0.00000
347 2.1333 0.00000
348 2.1340 0.00000
349 2.1515 0.00000
350 2.1526 0.00000
351 2.2209 0.00000
352 2.2226 0.00000
353 2.4552 0.00000
354 2.4568 0.00000
355 2.7027 0.00000
356 2.7030 0.00000
357 2.7320 0.00000
358 2.7328 0.00000
359 2.7658 0.00000
360 2.7674 0.00000
361 3.0290 0.00000
362 3.0307 0.00000
363 3.1927 0.00000
364 3.1941 0.00000
365 3.2028 0.00000
366 3.2037 0.00000
367 3.4201 0.00000
368 3.4207 0.00000
369 3.5994 0.00000
370 3.6007 0.00000
371 3.6679 0.00000
372 3.6690 0.00000
373 3.7572 0.00000
374 3.7581 0.00000
375 3.7645 0.00000
376 3.7654 0.00000
377 3.9340 0.00000
378 3.9341 0.00000
379 4.0760 0.00000
380 4.0765 0.00000
381 4.1243 0.00000
382 4.1251 0.00000
383 4.1904 0.00000
384 4.1910 0.00000
385 4.3829 0.00000
386 4.3834 0.00000
387 4.4105 0.00000
388 4.4117 0.00000
389 4.5099 0.00000
390 4.5101 0.00000
391 4.5569 0.00000
392 4.5574 0.00000
393 4.6285 0.00000
394 4.6293 0.00000
395 4.7179 0.00000
396 4.7190 0.00000
397 4.7962 0.00000
398 4.7978 0.00000
399 4.8353 0.00000
400 4.8359 0.00000
401 4.9363 0.00000
402 4.9369 0.00000
403 5.0016 0.00000
404 5.0033 0.00000
405 5.1332 0.00000
406 5.1338 0.00000
407 5.2104 0.00000
408 5.2109 0.00000
409 5.2378 0.00000
410 5.2387 0.00000
411 5.4210 0.00000
412 5.4219 0.00000
413 5.4251 0.00000
414 5.4253 0.00000
415 5.6726 0.00000
416 5.6732 0.00000
417 5.7347 0.00000
418 5.7350 0.00000
419 5.8109 0.00000
420 5.8110 0.00000
421 5.9399 0.00000
422 5.9410 0.00000
423 5.9888 0.00000
424 5.9928 0.00000
425 6.0485 0.00000
426 6.0486 0.00000
427 6.3768 0.00000
428 6.3769 0.00000
429 6.3916 0.00000
430 6.3924 0.00000
431 6.4454 0.00000
432 6.4454 0.00000
433 6.5797 0.00000
434 6.5800 0.00000
435 6.5976 0.00000
436 6.5985 0.00000
437 6.9647 0.00000
438 6.9648 0.00000
439 7.0078 0.00000
440 7.0083 0.00000
441 7.0605 0.00000
442 7.0607 0.00000
443 7.0991 0.00000
444 7.1015 0.00000
445 7.2381 0.00000
446 7.2388 0.00000
447 7.4478 0.00000
448 7.4481 0.00000
449 7.4736 0.00000
450 7.4738 0.00000
451 7.5276 0.00000
452 7.5278 0.00000
453 7.5504 0.00000
454 7.5509 0.00000
455 7.6866 0.00000
456 7.6877 0.00000
457 7.8964 0.00000
458 7.8973 0.00000
459 8.0150 0.00000
460 8.0151 0.00000
461 8.1291 0.00000
462 8.1295 0.00000
463 8.2350 0.00000
464 8.2383 0.00000
465 8.2886 0.00000
466 8.2941 0.00000
467 8.3059 0.00000
468 8.4356 0.00000
469 8.4753 0.00000
470 8.5641 0.00000
471 8.5700 0.00000
472 8.6424 0.00000
473 8.7474 0.00000
474 8.7638 0.00000
475 8.7679 0.00000
476 8.8160 0.00000
477 8.8332 0.00000
478 8.9488 0.00000
479 8.9536 0.00000
480 9.1226 0.00000
k-point 8 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 -76.3978 1.00000
2 -76.3978 1.00000
3 -76.3968 1.00000
4 -76.3968 1.00000
5 -76.3925 1.00000
6 -76.3925 1.00000
7 -76.3911 1.00000
8 -76.3911 1.00000
9 -40.7474 1.00000
10 -40.7474 1.00000
11 -40.7463 1.00000
12 -40.7463 1.00000
13 -40.7422 1.00000
14 -40.7422 1.00000
15 -40.7416 1.00000
16 -40.7416 1.00000
17 -40.7258 1.00000
18 -40.7258 1.00000
19 -40.7204 1.00000
20 -40.7204 1.00000
21 -40.7167 1.00000
22 -40.7167 1.00000
23 -40.7114 1.00000
24 -40.7114 1.00000
25 -40.6652 1.00000
26 -40.6652 1.00000
27 -40.6582 1.00000
28 -40.6582 1.00000
29 -40.6569 1.00000
30 -40.6569 1.00000
31 -40.6500 1.00000
32 -40.6500 1.00000
33 -24.0104 1.00000
34 -24.0104 1.00000
35 -24.0053 1.00000
36 -24.0053 1.00000
37 -23.9970 1.00000
38 -23.9970 1.00000
39 -23.9968 1.00000
40 -23.9968 1.00000
41 -23.9957 1.00000
42 -23.9957 1.00000
43 -23.9902 1.00000
44 -23.9902 1.00000
45 -23.9816 1.00000
46 -23.9816 1.00000
47 -23.9782 1.00000
48 -23.9782 1.00000
49 -23.8664 1.00000
50 -23.8664 1.00000
51 -23.8611 1.00000
52 -23.8611 1.00000
53 -23.8463 1.00000
54 -23.8463 1.00000
55 -23.8407 1.00000
56 -23.8407 1.00000
57 -23.7874 1.00000
58 -23.7874 1.00000
59 -23.7863 1.00000
60 -23.7863 1.00000
61 -23.7849 1.00000
62 -23.7849 1.00000
63 -23.7808 1.00000
64 -23.7808 1.00000
65 -23.7722 1.00000
66 -23.7722 1.00000
67 -23.7687 1.00000
68 -23.7687 1.00000
69 -23.7652 1.00000
70 -23.7652 1.00000
71 -23.7643 1.00000
72 -23.7643 1.00000
73 -23.7454 1.00000
74 -23.7454 1.00000
75 -23.7435 1.00000
76 -23.7435 1.00000
77 -23.7241 1.00000
78 -23.7241 1.00000
79 -23.7210 1.00000
80 -23.7210 1.00000
81 -23.7187 1.00000
82 -23.7187 1.00000
83 -23.7177 1.00000
84 -23.7177 1.00000
85 -23.7123 1.00000
86 -23.7123 1.00000
87 -23.7067 1.00000
88 -23.7067 1.00000
89 -23.7035 1.00000
90 -23.7035 1.00000
91 -23.7022 1.00000
92 -23.7022 1.00000
93 -23.6971 1.00000
94 -23.6971 1.00000
95 -23.6966 1.00000
96 -23.6966 1.00000
97 -23.6287 1.00000
98 -23.6287 1.00000
99 -23.6282 1.00000
100 -23.6282 1.00000
101 -23.6172 1.00000
102 -23.6172 1.00000
103 -23.6154 1.00000
104 -23.6154 1.00000
105 -23.5923 1.00000
106 -23.5923 1.00000
107 -23.5880 1.00000
108 -23.5880 1.00000
109 -23.5804 1.00000
110 -23.5804 1.00000
111 -23.5734 1.00000
112 -23.5734 1.00000
113 -20.1445 1.00000
114 -20.1445 1.00000
115 -19.8480 1.00000
116 -19.8480 1.00000
117 -19.6516 1.00000
118 -19.6516 1.00000
119 -19.4452 1.00000
120 -19.4452 1.00000
121 -19.2890 1.00000
122 -19.2890 1.00000
123 -19.2635 1.00000
124 -19.2635 1.00000
125 -19.2523 1.00000
126 -19.2523 1.00000
127 -19.1859 1.00000
128 -19.1859 1.00000
129 -18.9009 1.00000
130 -18.9009 1.00000
131 -18.8693 1.00000
132 -18.8693 1.00000
133 -18.8128 1.00000
134 -18.8128 1.00000
135 -18.6745 1.00000
136 -18.6745 1.00000
137 -18.6214 1.00000
138 -18.6214 1.00000
139 -18.5620 1.00000
140 -18.5620 1.00000
141 -18.5263 1.00000
142 -18.5263 1.00000
143 -18.5155 1.00000
144 -18.5155 1.00000
145 -18.2757 1.00000
146 -18.2757 1.00000
147 -18.2733 1.00000
148 -18.2733 1.00000
149 -18.2654 1.00000
150 -18.2654 1.00000
151 -18.2414 1.00000
152 -18.2414 1.00000
153 -17.7677 1.00000
154 -17.7677 1.00000
155 -17.7471 1.00000
156 -17.7471 1.00000
157 -17.7172 1.00000
158 -17.7172 1.00000
159 -17.7166 1.00000
160 -17.7166 1.00000
161 -11.5578 1.00000
162 -11.5578 1.00000
163 -11.5301 1.00000
164 -11.5301 1.00000
165 -11.3470 1.00000
166 -11.3470 1.00000
167 -11.3094 1.00000
168 -11.3094 1.00000
169 -10.3681 1.00000
170 -10.3681 1.00000
171 -10.3392 1.00000
172 -10.3392 1.00000
173 -10.2345 1.00000
174 -10.2345 1.00000
175 -10.2285 1.00000
176 -10.2285 1.00000
177 -7.3243 1.00000
178 -7.3243 1.00000
179 -7.2881 1.00000
180 -7.2881 1.00000
181 -7.1791 1.00000
182 -7.1791 1.00000
183 -7.1145 1.00000
184 -7.1145 1.00000
185 -7.0513 1.00000
186 -7.0513 1.00000
187 -6.9698 1.00000
188 -6.9698 1.00000
189 -6.9383 1.00000
190 -6.9383 1.00000
191 -6.8491 1.00000
192 -6.8491 1.00000
193 -6.5739 1.00000
194 -6.5739 1.00000
195 -6.4194 1.00000
196 -6.4194 1.00000
197 -6.2733 1.00000
198 -6.2733 1.00000
199 -6.2222 1.00000
200 -6.2222 1.00000
201 -6.2001 1.00000
202 -6.2001 1.00000
203 -6.1552 1.00000
204 -6.1552 1.00000
205 -6.1216 1.00000
206 -6.1216 1.00000
207 -6.0283 1.00000
208 -6.0283 1.00000
209 -6.0040 1.00000
210 -6.0040 1.00000
211 -5.8240 1.00000
212 -5.8240 1.00000
213 -5.7802 1.00000
214 -5.7802 1.00000
215 -5.7386 1.00000
216 -5.7386 1.00000
217 -5.7245 1.00000
218 -5.7245 1.00000
219 -5.5626 1.00000
220 -5.5626 1.00000
221 -5.4697 1.00000
222 -5.4697 1.00000
223 -5.4189 1.00000
224 -5.4189 1.00000
225 -5.3217 1.00000
226 -5.3217 1.00000
227 -4.9689 1.00000
228 -4.9689 1.00000
229 -4.8949 1.00000
230 -4.8949 1.00000
231 -4.8603 1.00000
232 -4.8603 1.00000
233 -4.7890 1.00000
234 -4.7890 1.00000
235 -4.7595 1.00000
236 -4.7595 1.00000
237 -4.6601 1.00000
238 -4.6601 1.00000
239 -4.6447 1.00000
240 -4.6447 1.00000
241 -4.4807 1.00000
242 -4.4807 1.00000
243 -4.3746 1.00000
244 -4.3746 1.00000
245 -4.2987 1.00000
246 -4.2987 1.00000
247 -4.1787 1.00000
248 -4.1787 1.00000
249 -4.1133 1.00000
250 -4.1133 1.00000
251 -4.0501 1.00000
252 -4.0501 1.00000
253 -3.9251 1.00000
254 -3.9251 1.00000
255 -3.9202 1.00000
256 -3.9202 1.00000
257 -3.8480 1.00000
258 -3.8480 1.00000
259 -3.7794 1.00000
260 -3.7794 1.00000
261 -3.7108 1.00000
262 -3.7108 1.00000
263 -3.6568 1.00000
264 -3.6568 1.00000
265 -3.6297 1.00000
266 -3.6297 1.00000
267 -3.5448 1.00000
268 -3.5448 1.00000
269 -3.4804 1.00000
270 -3.4804 1.00000
271 -3.3755 1.00000
272 -3.3755 1.00000
273 -3.3368 1.00000
274 -3.3368 1.00000
275 -3.2697 1.00000
276 -3.2697 1.00000
277 -3.1903 1.00000
278 -3.1903 1.00000
279 -3.1297 1.00000
280 -3.1297 1.00000
281 -3.1082 1.00000
282 -3.1082 1.00000
283 -3.0490 1.00000
284 -3.0490 1.00000
285 -3.0460 1.00000
286 -3.0460 1.00000
287 -2.8668 1.00000
288 -2.8668 1.00000
289 -2.8320 1.00000
290 -2.8320 1.00000
291 -2.8280 1.00000
292 -2.8280 1.00000
293 -2.8239 1.00000
294 -2.8239 1.00000
295 -2.7624 1.00000
296 -2.7624 1.00000
297 -2.6746 1.00000
298 -2.6746 1.00000
299 -2.6350 1.00000
300 -2.6350 1.00000
301 -2.5618 1.00000
302 -2.5618 1.00000
303 -2.5424 1.00000
304 -2.5424 1.00000
305 -2.5016 1.00000
306 -2.5016 1.00000
307 -2.4515 1.00000
308 -2.4515 1.00000
309 -2.2676 1.00000
310 -2.2676 1.00000
311 -2.2488 1.00000
312 -2.2488 1.00000
313 -2.2187 1.00000
314 -2.2187 1.00000
315 -2.2119 1.00000
316 -2.2119 1.00000
317 -2.1531 1.00000
318 -2.1531 1.00000
319 -2.1344 1.00000
320 -2.1344 1.00000
321 0.8336 0.00000
322 0.8336 0.00000
323 0.8602 0.00000
324 0.8602 0.00000
325 0.9857 0.00000
326 0.9857 0.00000
327 1.1171 0.00000
328 1.1171 0.00000
329 1.2586 0.00000
330 1.2586 0.00000
331 1.4248 0.00000
332 1.4248 0.00000
333 1.4344 0.00000
334 1.4344 0.00000
335 1.5035 0.00000
336 1.5035 0.00000
337 1.6063 0.00000
338 1.6063 0.00000
339 1.6157 0.00000
340 1.6157 0.00000
341 1.9175 0.00000
342 1.9175 0.00000
343 2.0047 0.00000
344 2.0047 0.00000
345 2.0146 0.00000
346 2.0146 0.00000
347 2.1220 0.00000
348 2.1220 0.00000
349 2.1669 0.00000
350 2.1669 0.00000
351 2.2469 0.00000
352 2.2469 0.00000
353 2.5355 0.00000
354 2.5355 0.00000
355 2.7426 0.00000
356 2.7426 0.00000
357 2.8829 0.00000
358 2.8829 0.00000
359 2.8882 0.00000
360 2.8882 0.00000
361 2.8921 0.00000
362 2.8921 0.00000
363 3.0280 0.00000
364 3.0280 0.00000
365 3.1492 0.00000
366 3.1492 0.00000
367 3.3294 0.00000
368 3.3294 0.00000
369 3.5369 0.00000
370 3.5369 0.00000
371 3.6690 0.00000
372 3.6690 0.00000
373 3.7423 0.00000
374 3.7423 0.00000
375 3.7521 0.00000
376 3.7521 0.00000
377 3.9005 0.00000
378 3.9005 0.00000
379 3.9901 0.00000
380 3.9901 0.00000
381 4.1306 0.00000
382 4.1306 0.00000
383 4.2679 0.00000
384 4.2679 0.00000
385 4.3224 0.00000
386 4.3224 0.00000
387 4.3427 0.00000
388 4.3427 0.00000
389 4.4309 0.00000
390 4.4309 0.00000
391 4.6915 0.00000
392 4.6915 0.00000
393 4.6983 0.00000
394 4.6983 0.00000
395 4.7370 0.00000
396 4.7370 0.00000
397 4.9590 0.00000
398 4.9590 0.00000
399 5.0192 0.00000
400 5.0192 0.00000
401 5.0282 0.00000
402 5.0282 0.00000
403 5.0688 0.00000
404 5.0688 0.00000
405 5.2033 0.00000
406 5.2033 0.00000
407 5.2051 0.00000
408 5.2051 0.00000
409 5.2391 0.00000
410 5.2392 0.00000
411 5.2855 0.00000
412 5.2855 0.00000
413 5.5149 0.00000
414 5.5149 0.00000
415 5.5167 0.00000
416 5.5167 0.00000
417 5.6559 0.00000
418 5.6559 0.00000
419 5.7508 0.00000
420 5.7508 0.00000
421 5.8155 0.00000
422 5.8155 0.00000
423 5.8390 0.00000
424 5.8390 0.00000
425 6.0440 0.00000
426 6.0440 0.00000
427 6.0463 0.00000
428 6.0464 0.00000
429 6.3952 0.00000
430 6.3952 0.00000
431 6.4441 0.00000
432 6.4442 0.00000
433 6.4824 0.00000
434 6.4824 0.00000
435 6.8298 0.00000
436 6.8299 0.00000
437 6.8573 0.00000
438 6.8573 0.00000
439 7.0821 0.00000
440 7.0821 0.00000
441 7.1156 0.00000
442 7.1156 0.00000
443 7.2000 0.00000
444 7.2002 0.00000
445 7.2288 0.00000
446 7.2288 0.00000
447 7.4692 0.00000
448 7.4696 0.00000
449 7.5163 0.00000
450 7.5169 0.00000
451 7.7649 0.00000
452 7.7664 0.00000
453 7.8649 0.00000
454 7.8653 0.00000
455 7.8717 0.00000
456 7.8734 0.00000
457 7.9278 0.00000
458 7.9476 0.00000
459 8.0356 0.00000
460 8.0796 0.00000
461 8.0956 0.00000
462 8.1719 0.00000
463 8.1724 0.00000
464 8.1760 0.00000
465 8.3485 0.00000
466 8.3672 0.00000
467 8.3684 0.00000
468 8.4489 0.00000
469 8.5081 0.00000
470 8.5248 0.00000
471 8.5416 0.00000
472 8.8540 0.00000
473 8.8541 0.00000
474 8.8751 0.00000
475 8.8876 0.00000
476 9.2104 0.00000
477 9.2278 0.00000
478 9.2874 0.00000
479 9.3830 0.00000
480 9.3871 0.00000
k-point 9 : 0.2500 0.5000 0.0000
band No. band energies occupation
1 -76.3978 1.00000
2 -76.3978 1.00000
3 -76.3968 1.00000
4 -76.3968 1.00000
5 -76.3925 1.00000
6 -76.3925 1.00000
7 -76.3911 1.00000
8 -76.3911 1.00000
9 -40.7484 1.00000
10 -40.7483 1.00000
11 -40.7472 1.00000
12 -40.7471 1.00000
13 -40.7413 1.00000
14 -40.7410 1.00000
15 -40.7401 1.00000
16 -40.7399 1.00000
17 -40.7261 1.00000
18 -40.7260 1.00000
19 -40.7218 1.00000
20 -40.7216 1.00000
21 -40.7161 1.00000
22 -40.7160 1.00000
23 -40.7114 1.00000
24 -40.7114 1.00000
25 -40.6652 1.00000
26 -40.6652 1.00000
27 -40.6585 1.00000
28 -40.6584 1.00000
29 -40.6566 1.00000
30 -40.6566 1.00000
31 -40.6500 1.00000
32 -40.6500 1.00000
33 -24.0105 1.00000
34 -24.0104 1.00000
35 -24.0070 1.00000
36 -24.0070 1.00000
37 -23.9968 1.00000
38 -23.9968 1.00000
39 -23.9959 1.00000
40 -23.9958 1.00000
41 -23.9948 1.00000
42 -23.9948 1.00000
43 -23.9921 1.00000
44 -23.9921 1.00000
45 -23.9803 1.00000
46 -23.9803 1.00000
47 -23.9773 1.00000
48 -23.9773 1.00000
49 -23.8658 1.00000
50 -23.8658 1.00000
51 -23.8621 1.00000
52 -23.8621 1.00000
53 -23.8461 1.00000
54 -23.8461 1.00000
55 -23.8415 1.00000
56 -23.8415 1.00000
57 -23.7875 1.00000
58 -23.7874 1.00000
59 -23.7869 1.00000
60 -23.7866 1.00000
61 -23.7842 1.00000
62 -23.7839 1.00000
63 -23.7814 1.00000
64 -23.7813 1.00000
65 -23.7717 1.00000
66 -23.7716 1.00000
67 -23.7693 1.00000
68 -23.7691 1.00000
69 -23.7653 1.00000
70 -23.7652 1.00000
71 -23.7642 1.00000
72 -23.7642 1.00000
73 -23.7451 1.00000
74 -23.7451 1.00000
75 -23.7438 1.00000
76 -23.7437 1.00000
77 -23.7236 1.00000
78 -23.7236 1.00000
79 -23.7206 1.00000
80 -23.7205 1.00000
81 -23.7190 1.00000
82 -23.7189 1.00000
83 -23.7188 1.00000
84 -23.7187 1.00000
85 -23.7113 1.00000
86 -23.7113 1.00000
87 -23.7071 1.00000
88 -23.7071 1.00000
89 -23.7026 1.00000
90 -23.7026 1.00000
91 -23.7015 1.00000
92 -23.7014 1.00000
93 -23.6979 1.00000
94 -23.6978 1.00000
95 -23.6974 1.00000
96 -23.6974 1.00000
97 -23.6273 1.00000
98 -23.6273 1.00000
99 -23.6269 1.00000
100 -23.6269 1.00000
101 -23.6194 1.00000
102 -23.6194 1.00000
103 -23.6180 1.00000
104 -23.6180 1.00000
105 -23.5900 1.00000
106 -23.5900 1.00000
107 -23.5852 1.00000
108 -23.5852 1.00000
109 -23.5818 1.00000
110 -23.5818 1.00000
111 -23.5750 1.00000
112 -23.5750 1.00000
113 -20.1164 1.00000
114 -20.1163 1.00000
115 -19.9246 1.00000
116 -19.9241 1.00000
117 -19.5861 1.00000
118 -19.5852 1.00000
119 -19.4584 1.00000
120 -19.4577 1.00000
121 -19.2843 1.00000
122 -19.2840 1.00000
123 -19.2628 1.00000
124 -19.2628 1.00000
125 -19.2548 1.00000
126 -19.2548 1.00000
127 -19.1945 1.00000
128 -19.1944 1.00000
129 -18.8972 1.00000
130 -18.8966 1.00000
131 -18.8393 1.00000
132 -18.8390 1.00000
133 -18.8248 1.00000
134 -18.8247 1.00000
135 -18.7197 1.00000
136 -18.7196 1.00000
137 -18.5939 1.00000
138 -18.5937 1.00000
139 -18.5578 1.00000
140 -18.5578 1.00000
141 -18.5317 1.00000
142 -18.5315 1.00000
143 -18.5203 1.00000
144 -18.5201 1.00000
145 -18.2730 1.00000
146 -18.2729 1.00000
147 -18.2712 1.00000
148 -18.2710 1.00000
149 -18.2648 1.00000
150 -18.2644 1.00000
151 -18.2460 1.00000
152 -18.2459 1.00000
153 -17.7643 1.00000
154 -17.7642 1.00000
155 -17.7496 1.00000
156 -17.7496 1.00000
157 -17.7175 1.00000
158 -17.7175 1.00000
159 -17.7169 1.00000
160 -17.7169 1.00000
161 -11.5260 1.00000
162 -11.5260 1.00000
163 -11.5042 1.00000
164 -11.5042 1.00000
165 -11.3766 1.00000
166 -11.3766 1.00000
167 -11.3495 1.00000
168 -11.3495 1.00000
169 -10.3607 1.00000
170 -10.3606 1.00000
171 -10.3387 1.00000
172 -10.3386 1.00000
173 -10.2327 1.00000
174 -10.2326 1.00000
175 -10.2280 1.00000
176 -10.2279 1.00000
177 -7.3522 1.00000
178 -7.3512 1.00000
179 -7.3453 1.00000
180 -7.3446 1.00000
181 -7.0743 1.00000
182 -7.0739 1.00000
183 -7.0714 1.00000
184 -7.0709 1.00000
185 -7.0190 1.00000
186 -7.0181 1.00000
187 -7.0123 1.00000
188 -7.0122 1.00000
189 -6.8418 1.00000
190 -6.8416 1.00000
191 -6.8341 1.00000
192 -6.8329 1.00000
193 -6.6118 1.00000
194 -6.6108 1.00000
195 -6.5224 1.00000
196 -6.5222 1.00000
197 -6.3842 1.00000
198 -6.3833 1.00000
199 -6.2667 1.00000
200 -6.2661 1.00000
201 -6.1741 1.00000
202 -6.1737 1.00000
203 -6.1409 1.00000
204 -6.1408 1.00000
205 -6.1210 1.00000
206 -6.1206 1.00000
207 -6.0574 1.00000
208 -6.0565 1.00000
209 -5.9586 1.00000
210 -5.9586 1.00000
211 -5.8203 1.00000
212 -5.8199 1.00000
213 -5.7897 1.00000
214 -5.7896 1.00000
215 -5.7409 1.00000
216 -5.7408 1.00000
217 -5.7232 1.00000
218 -5.7225 1.00000
219 -5.6120 1.00000
220 -5.6119 1.00000
221 -5.4242 1.00000
222 -5.4230 1.00000
223 -5.3879 1.00000
224 -5.3868 1.00000
225 -5.2180 1.00000
226 -5.2179 1.00000
227 -5.0521 1.00000
228 -5.0520 1.00000
229 -4.9866 1.00000
230 -4.9863 1.00000
231 -4.8419 1.00000
232 -4.8419 1.00000
233 -4.7610 1.00000
234 -4.7607 1.00000
235 -4.7446 1.00000
236 -4.7441 1.00000
237 -4.6445 1.00000
238 -4.6439 1.00000
239 -4.5721 1.00000
240 -4.5719 1.00000
241 -4.4182 1.00000
242 -4.4180 1.00000
243 -4.4142 1.00000
244 -4.4139 1.00000
245 -4.2605 1.00000
246 -4.2604 1.00000
247 -4.2538 1.00000
248 -4.2535 1.00000
249 -4.0963 1.00000
250 -4.0957 1.00000
251 -4.0681 1.00000
252 -4.0681 1.00000
253 -4.0280 1.00000
254 -4.0277 1.00000
255 -3.9398 1.00000
256 -3.9398 1.00000
257 -3.8765 1.00000
258 -3.8762 1.00000
259 -3.7411 1.00000
260 -3.7408 1.00000
261 -3.6377 1.00000
262 -3.6376 1.00000
263 -3.5830 1.00000
264 -3.5830 1.00000
265 -3.5603 1.00000
266 -3.5601 1.00000
267 -3.5182 1.00000
268 -3.5181 1.00000
269 -3.4247 1.00000
270 -3.4242 1.00000
271 -3.3811 1.00000
272 -3.3810 1.00000
273 -3.3206 1.00000
274 -3.3204 1.00000
275 -3.2965 1.00000
276 -3.2960 1.00000
277 -3.1779 1.00000
278 -3.1777 1.00000
279 -3.1544 1.00000
280 -3.1542 1.00000
281 -3.1350 1.00000
282 -3.1346 1.00000
283 -3.0547 1.00000
284 -3.0545 1.00000
285 -3.0412 1.00000
286 -3.0409 1.00000
287 -2.9030 1.00000
288 -2.9027 1.00000
289 -2.8860 1.00000
290 -2.8858 1.00000
291 -2.8266 1.00000
292 -2.8264 1.00000
293 -2.8124 1.00000
294 -2.8122 1.00000
295 -2.7419 1.00000
296 -2.7416 1.00000
297 -2.6727 1.00000
298 -2.6726 1.00000
299 -2.6039 1.00000
300 -2.6036 1.00000
301 -2.5900 1.00000
302 -2.5898 1.00000
303 -2.5628 1.00000
304 -2.5625 1.00000
305 -2.5613 1.00000
306 -2.5611 1.00000
307 -2.4405 1.00000
308 -2.4404 1.00000
309 -2.3596 1.00000
310 -2.3595 1.00000
311 -2.2770 1.00000
312 -2.2767 1.00000
313 -2.2237 1.00000
314 -2.2234 1.00000
315 -2.1877 1.00000
316 -2.1876 1.00000
317 -2.1690 1.00000
318 -2.1688 1.00000
319 -2.0900 1.00000
320 -2.0897 1.00000
321 0.8678 0.00000
322 0.8679 0.00000
323 0.8791 0.00000
324 0.8791 0.00000
325 1.0359 0.00000
326 1.0361 0.00000
327 1.1210 0.00000
328 1.1210 0.00000
329 1.2545 0.00000
330 1.2546 0.00000
331 1.3537 0.00000
332 1.3538 0.00000
333 1.4458 0.00000
334 1.4459 0.00000
335 1.5530 0.00000
336 1.5530 0.00000
337 1.6335 0.00000
338 1.6335 0.00000
339 1.6480 0.00000
340 1.6483 0.00000
341 1.8016 0.00000
342 1.8017 0.00000
343 1.9535 0.00000
344 1.9536 0.00000
345 2.0082 0.00000
346 2.0085 0.00000
347 2.1082 0.00000
348 2.1084 0.00000
349 2.1220 0.00000
350 2.1221 0.00000
351 2.2873 0.00000
352 2.2876 0.00000
353 2.6323 0.00000
354 2.6323 0.00000
355 2.6485 0.00000
356 2.6486 0.00000
357 2.7357 0.00000
358 2.7362 0.00000
359 2.8171 0.00000
360 2.8171 0.00000
361 2.9531 0.00000
362 2.9534 0.00000
363 3.1342 0.00000
364 3.1346 0.00000
365 3.3200 0.00000
366 3.3203 0.00000
367 3.4077 0.00000
368 3.4080 0.00000
369 3.5809 0.00000
370 3.5811 0.00000
371 3.6524 0.00000
372 3.6532 0.00000
373 3.6976 0.00000
374 3.6980 0.00000
375 3.8506 0.00000
376 3.8509 0.00000
377 3.9297 0.00000
378 3.9300 0.00000
379 4.0011 0.00000
380 4.0015 0.00000
381 4.0304 0.00000
382 4.0308 0.00000
383 4.1825 0.00000
384 4.1829 0.00000
385 4.3986 0.00000
386 4.3988 0.00000
387 4.4312 0.00000
388 4.4314 0.00000
389 4.4656 0.00000
390 4.4659 0.00000
391 4.5246 0.00000
392 4.5248 0.00000
393 4.6403 0.00000
394 4.6405 0.00000
395 4.7499 0.00000
396 4.7499 0.00000
397 4.7611 0.00000
398 4.7616 0.00000
399 4.8597 0.00000
400 4.8601 0.00000
401 4.9207 0.00000
402 4.9210 0.00000
403 5.0399 0.00000
404 5.0401 0.00000
405 5.1437 0.00000
406 5.1437 0.00000
407 5.2377 0.00000
408 5.2381 0.00000
409 5.2752 0.00000
410 5.2753 0.00000
411 5.4076 0.00000
412 5.4078 0.00000
413 5.4333 0.00000
414 5.4337 0.00000
415 5.6746 0.00000
416 5.6747 0.00000
417 5.8096 0.00000
418 5.8097 0.00000
419 5.8182 0.00000
420 5.8182 0.00000
421 5.9040 0.00000
422 5.9042 0.00000
423 5.9935 0.00000
424 5.9936 0.00000
425 6.0551 0.00000
426 6.0553 0.00000
427 6.3725 0.00000
428 6.3726 0.00000
429 6.4361 0.00000
430 6.4362 0.00000
431 6.4874 0.00000
432 6.4874 0.00000
433 6.5497 0.00000
434 6.5497 0.00000
435 6.5907 0.00000
436 6.5908 0.00000
437 6.9034 0.00000
438 6.9035 0.00000
439 6.9823 0.00000
440 6.9825 0.00000
441 7.0925 0.00000
442 7.0925 0.00000
443 7.1302 0.00000
444 7.1302 0.00000
445 7.2291 0.00000
446 7.2291 0.00000
447 7.4103 0.00000
448 7.4104 0.00000
449 7.4619 0.00000
450 7.4619 0.00000
451 7.5757 0.00000
452 7.5758 0.00000
453 7.6038 0.00000
454 7.6039 0.00000
455 7.6632 0.00000
456 7.6634 0.00000
457 7.9333 0.00000
458 7.9377 0.00000
459 8.0062 0.00000
460 8.0064 0.00000
461 8.1164 0.00000
462 8.1165 0.00000
463 8.2129 0.00000
464 8.2162 0.00000
465 8.3336 0.00000
466 8.3399 0.00000
467 8.3404 0.00000
468 8.3434 0.00000
469 8.4967 0.00000
470 8.4991 0.00000
471 8.5714 0.00000
472 8.5798 0.00000
473 8.6217 0.00000
474 8.6727 0.00000
475 8.6875 0.00000
476 8.7009 0.00000
477 8.8870 0.00000
478 8.9271 0.00000
479 8.9544 0.00000
480 8.9821 0.00000
k-point 10 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 -76.3978 1.00000
2 -76.3978 1.00000
3 -76.3968 1.00000
4 -76.3968 1.00000
5 -76.3925 1.00000
6 -76.3925 1.00000
7 -76.3911 1.00000
8 -76.3911 1.00000
9 -40.7489 1.00000
10 -40.7489 1.00000
11 -40.7479 1.00000
12 -40.7479 1.00000
13 -40.7396 1.00000
14 -40.7396 1.00000
15 -40.7392 1.00000
16 -40.7392 1.00000
17 -40.7261 1.00000
18 -40.7261 1.00000
19 -40.7230 1.00000
20 -40.7230 1.00000
21 -40.7156 1.00000
22 -40.7156 1.00000
23 -40.7114 1.00000
24 -40.7114 1.00000
25 -40.6652 1.00000
26 -40.6652 1.00000
27 -40.6586 1.00000
28 -40.6586 1.00000
29 -40.6564 1.00000
30 -40.6564 1.00000
31 -40.6499 1.00000
32 -40.6499 1.00000
33 -24.0096 1.00000
34 -24.0096 1.00000
35 -24.0093 1.00000
36 -24.0093 1.00000
37 -23.9963 1.00000
38 -23.9963 1.00000
39 -23.9947 1.00000
40 -23.9947 1.00000
41 -23.9943 1.00000
42 -23.9943 1.00000
43 -23.9940 1.00000
44 -23.9940 1.00000
45 -23.9792 1.00000
46 -23.9792 1.00000
47 -23.9766 1.00000
48 -23.9766 1.00000
49 -23.8644 1.00000
50 -23.8644 1.00000
51 -23.8639 1.00000
52 -23.8639 1.00000
53 -23.8457 1.00000
54 -23.8457 1.00000
55 -23.8424 1.00000
56 -23.8424 1.00000
57 -23.7874 1.00000
58 -23.7874 1.00000
59 -23.7870 1.00000
60 -23.7870 1.00000
61 -23.7827 1.00000
62 -23.7827 1.00000
63 -23.7824 1.00000
64 -23.7824 1.00000
65 -23.7709 1.00000
66 -23.7709 1.00000
67 -23.7699 1.00000
68 -23.7699 1.00000
69 -23.7652 1.00000
70 -23.7652 1.00000
71 -23.7641 1.00000
72 -23.7641 1.00000
73 -23.7445 1.00000
74 -23.7445 1.00000
75 -23.7441 1.00000
76 -23.7441 1.00000
77 -23.7227 1.00000
78 -23.7227 1.00000
79 -23.7201 1.00000
80 -23.7201 1.00000
81 -23.7198 1.00000
82 -23.7198 1.00000
83 -23.7194 1.00000
84 -23.7194 1.00000
85 -23.7102 1.00000
86 -23.7102 1.00000
87 -23.7076 1.00000
88 -23.7076 1.00000
89 -23.7014 1.00000
90 -23.7014 1.00000
91 -23.6998 1.00000
92 -23.6998 1.00000
93 -23.6994 1.00000
94 -23.6994 1.00000
95 -23.6986 1.00000
96 -23.6986 1.00000
97 -23.6245 1.00000
98 -23.6245 1.00000
99 -23.6238 1.00000
100 -23.6238 1.00000
101 -23.6234 1.00000
102 -23.6234 1.00000
103 -23.6218 1.00000
104 -23.6218 1.00000
105 -23.5857 1.00000
106 -23.5857 1.00000
107 -23.5854 1.00000
108 -23.5854 1.00000
109 -23.5810 1.00000
110 -23.5810 1.00000
111 -23.5783 1.00000
112 -23.5783 1.00000
113 -20.0403 1.00000
114 -20.0403 1.00000
115 -20.0325 1.00000
116 -20.0325 1.00000
117 -19.5050 1.00000
118 -19.5050 1.00000
119 -19.5012 1.00000
120 -19.5012 1.00000
121 -19.2821 1.00000
122 -19.2821 1.00000
123 -19.2715 1.00000
124 -19.2715 1.00000
125 -19.2252 1.00000
126 -19.2252 1.00000
127 -19.2240 1.00000
128 -19.2240 1.00000
129 -18.8617 1.00000
130 -18.8617 1.00000
131 -18.8596 1.00000
132 -18.8596 1.00000
133 -18.7858 1.00000
134 -18.7858 1.00000
135 -18.7843 1.00000
136 -18.7843 1.00000
137 -18.5661 1.00000
138 -18.5661 1.00000
139 -18.5629 1.00000
140 -18.5629 1.00000
141 -18.5316 1.00000
142 -18.5316 1.00000
143 -18.5313 1.00000
144 -18.5313 1.00000
145 -18.2714 1.00000
146 -18.2714 1.00000
147 -18.2671 1.00000
148 -18.2671 1.00000
149 -18.2589 1.00000
150 -18.2589 1.00000
151 -18.2558 1.00000
152 -18.2558 1.00000
153 -17.7576 1.00000
154 -17.7576 1.00000
155 -17.7551 1.00000
156 -17.7551 1.00000
157 -17.7177 1.00000
158 -17.7177 1.00000
159 -17.7171 1.00000
160 -17.7171 1.00000
161 -11.4489 1.00000
162 -11.4489 1.00000
163 -11.4476 1.00000
164 -11.4476 1.00000
165 -11.4368 1.00000
166 -11.4368 1.00000
167 -11.4348 1.00000
168 -11.4348 1.00000
169 -10.3481 1.00000
170 -10.3481 1.00000
171 -10.3436 1.00000
172 -10.3436 1.00000
173 -10.2292 1.00000
174 -10.2292 1.00000
175 -10.2288 1.00000
176 -10.2288 1.00000
177 -7.3724 1.00000
178 -7.3724 1.00000
179 -7.3678 1.00000
180 -7.3678 1.00000
181 -7.0644 1.00000
182 -7.0644 1.00000
183 -7.0616 1.00000
184 -7.0616 1.00000
185 -6.9660 1.00000
186 -6.9660 1.00000
187 -6.9620 1.00000
188 -6.9620 1.00000
189 -6.7518 1.00000
190 -6.7518 1.00000
191 -6.7489 1.00000
192 -6.7489 1.00000
193 -6.6208 1.00000
194 -6.6208 1.00000
195 -6.6194 1.00000
196 -6.6194 1.00000
197 -6.4684 1.00000
198 -6.4684 1.00000
199 -6.4673 1.00000
200 -6.4673 1.00000
201 -6.1301 1.00000
202 -6.1301 1.00000
203 -6.1293 1.00000
204 -6.1293 1.00000
205 -6.1161 1.00000
206 -6.1161 1.00000
207 -6.1145 1.00000
208 -6.1145 1.00000
209 -5.8905 1.00000
210 -5.8905 1.00000
211 -5.8896 1.00000
212 -5.8896 1.00000
213 -5.7797 1.00000
214 -5.7797 1.00000
215 -5.7781 1.00000
216 -5.7781 1.00000
217 -5.5711 1.00000
218 -5.5711 1.00000
219 -5.5691 1.00000
220 -5.5691 1.00000
221 -5.4459 1.00000
222 -5.4459 1.00000
223 -5.4444 1.00000
224 -5.4444 1.00000
225 -5.0837 1.00000
226 -5.0837 1.00000
227 -5.0820 1.00000
228 -5.0820 1.00000
229 -4.9597 1.00000
230 -4.9597 1.00000
231 -4.9584 1.00000
232 -4.9584 1.00000
233 -4.7943 1.00000
234 -4.7943 1.00000
235 -4.7930 1.00000
236 -4.7930 1.00000
237 -4.5581 1.00000
238 -4.5581 1.00000
239 -4.5566 1.00000
240 -4.5566 1.00000
241 -4.3867 1.00000
242 -4.3867 1.00000
243 -4.3855 1.00000
244 -4.3855 1.00000
245 -4.2780 1.00000
246 -4.2780 1.00000
247 -4.2761 1.00000
248 -4.2761 1.00000
249 -4.0824 1.00000
250 -4.0824 1.00000
251 -4.0811 1.00000
252 -4.0811 1.00000
253 -3.9902 1.00000
254 -3.9902 1.00000
255 -3.9889 1.00000
256 -3.9889 1.00000
257 -3.8122 1.00000
258 -3.8122 1.00000
259 -3.8116 1.00000
260 -3.8116 1.00000
261 -3.5803 1.00000
262 -3.5803 1.00000
263 -3.5768 1.00000
264 -3.5768 1.00000
265 -3.5192 1.00000
266 -3.5192 1.00000
267 -3.5181 1.00000
268 -3.5181 1.00000
269 -3.3884 1.00000
270 -3.3884 1.00000
271 -3.3874 1.00000
272 -3.3874 1.00000
273 -3.2697 1.00000
274 -3.2697 1.00000
275 -3.2683 1.00000
276 -3.2683 1.00000
277 -3.1836 1.00000
278 -3.1836 1.00000
279 -3.1790 1.00000
280 -3.1790 1.00000
281 -3.0762 1.00000
282 -3.0762 1.00000
283 -3.0755 1.00000
284 -3.0755 1.00000
285 -3.0019 1.00000
286 -3.0019 1.00000
287 -3.0006 1.00000
288 -3.0006 1.00000
289 -2.8779 1.00000
290 -2.8779 1.00000
291 -2.8771 1.00000
292 -2.8771 1.00000
293 -2.7870 1.00000
294 -2.7870 1.00000
295 -2.7864 1.00000
296 -2.7864 1.00000
297 -2.6618 1.00000
298 -2.6618 1.00000
299 -2.6610 1.00000
300 -2.6610 1.00000
301 -2.6009 1.00000
302 -2.6009 1.00000
303 -2.5987 1.00000
304 -2.5987 1.00000
305 -2.4880 1.00000
306 -2.4880 1.00000
307 -2.4875 1.00000
308 -2.4875 1.00000
309 -2.3698 1.00000
310 -2.3698 1.00000
311 -2.3687 1.00000
312 -2.3687 1.00000
313 -2.1733 1.00000
314 -2.1733 1.00000
315 -2.1703 1.00000
316 -2.1703 1.00000
317 -2.1401 1.00000
318 -2.1401 1.00000
319 -2.1386 1.00000
320 -2.1386 1.00000
321 0.9077 0.00000
322 0.9077 0.00000
323 0.9095 0.00000
324 0.9095 0.00000
325 1.1228 0.00000
326 1.1228 0.00000
327 1.1241 0.00000
328 1.1241 0.00000
329 1.2213 0.00000
330 1.2213 0.00000
331 1.2233 0.00000
332 1.2233 0.00000
333 1.5835 0.00000
334 1.5835 0.00000
335 1.5838 0.00000
336 1.5838 0.00000
337 1.6501 0.00000
338 1.6501 0.00000
339 1.6519 0.00000
340 1.6519 0.00000
341 1.7779 0.00000
342 1.7779 0.00000
343 1.7783 0.00000
344 1.7783 0.00000
345 2.0771 0.00000
346 2.0771 0.00000
347 2.0782 0.00000
348 2.0782 0.00000
349 2.1514 0.00000
350 2.1514 0.00000
351 2.1526 0.00000
352 2.1526 0.00000
353 2.6029 0.00000
354 2.6029 0.00000
355 2.6037 0.00000
356 2.6037 0.00000
357 2.7819 0.00000
358 2.7819 0.00000
359 2.7833 0.00000
360 2.7833 0.00000
361 3.1762 0.00000
362 3.1762 0.00000
363 3.1767 0.00000
364 3.1767 0.00000
365 3.3770 0.00000
366 3.3770 0.00000
367 3.3777 0.00000
368 3.3777 0.00000
369 3.5971 0.00000
370 3.5971 0.00000
371 3.5989 0.00000
372 3.5989 0.00000
373 3.7963 0.00000
374 3.7963 0.00000
375 3.7966 0.00000
376 3.7966 0.00000
377 3.9496 0.00000
378 3.9496 0.00000
379 3.9502 0.00000
380 3.9502 0.00000
381 4.2132 0.00000
382 4.2132 0.00000
383 4.2140 0.00000
384 4.2140 0.00000
385 4.3136 0.00000
386 4.3136 0.00000
387 4.3137 0.00000
388 4.3137 0.00000
389 4.4744 0.00000
390 4.4745 0.00000
391 4.4753 0.00000
392 4.4753 0.00000
393 4.6377 0.00000
394 4.6377 0.00000
395 4.6382 0.00000
396 4.6382 0.00000
397 4.8261 0.00000
398 4.8261 0.00000
399 4.8264 0.00000
400 4.8264 0.00000
401 4.9069 0.00000
402 4.9069 0.00000
403 4.9085 0.00000
404 4.9085 0.00000
405 5.0610 0.00000
406 5.0610 0.00000
407 5.0616 0.00000
408 5.0616 0.00000
409 5.3974 0.00000
410 5.3974 0.00000
411 5.3981 0.00000
412 5.3981 0.00000
413 5.5558 0.00000
414 5.5558 0.00000
415 5.5562 0.00000
416 5.5562 0.00000
417 5.9543 0.00000
418 5.9543 0.00000
419 5.9574 0.00000
420 5.9574 0.00000
421 6.0267 0.00000
422 6.0267 0.00000
423 6.0268 0.00000
424 6.0268 0.00000
425 6.4914 0.00000
426 6.4914 0.00000
427 6.4915 0.00000
428 6.4915 0.00000
429 6.5277 0.00000
430 6.5277 0.00000
431 6.5280 0.00000
432 6.5280 0.00000
433 6.7410 0.00000
434 6.7410 0.00000
435 6.7429 0.00000
436 6.7429 0.00000
437 6.7887 0.00000
438 6.7887 0.00000
439 6.7889 0.00000
440 6.7889 0.00000
441 6.8693 0.00000
442 6.8694 0.00000
443 6.8694 0.00000
444 6.8694 0.00000
445 7.2649 0.00000
446 7.2649 0.00000
447 7.2651 0.00000
448 7.2651 0.00000
449 7.3539 0.00000
450 7.3539 0.00000
451 7.3545 0.00000
452 7.3545 0.00000
453 7.4763 0.00000
454 7.4763 0.00000
455 7.4763 0.00000
456 7.4763 0.00000
457 8.0257 0.00000
458 8.0257 0.00000
459 8.0259 0.00000
460 8.0260 0.00000
461 8.2290 0.00000
462 8.2292 0.00000
463 8.2303 0.00000
464 8.2305 0.00000
465 8.3150 0.00000
466 8.3158 0.00000
467 8.3170 0.00000
468 8.3179 0.00000
469 8.4417 0.00000
470 8.4440 0.00000
471 8.4449 0.00000
472 8.4793 0.00000
473 8.6432 0.00000
474 8.6464 0.00000
475 8.6509 0.00000
476 8.6761 0.00000
477 8.7800 0.00000
478 8.7913 0.00000
479 8.9491 0.00000
480 9.4993 0.00000
k-point 11 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3975 1.00000
3 -76.3971 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3923 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7505 1.00000
10 -40.7499 1.00000
11 -40.7479 1.00000
12 -40.7454 1.00000
13 -40.7407 1.00000
14 -40.7401 1.00000
15 -40.7387 1.00000
16 -40.7370 1.00000
17 -40.7291 1.00000
18 -40.7247 1.00000
19 -40.7222 1.00000
20 -40.7215 1.00000
21 -40.7190 1.00000
22 -40.7145 1.00000
23 -40.7140 1.00000
24 -40.7084 1.00000
25 -40.6672 1.00000
26 -40.6610 1.00000
27 -40.6608 1.00000
28 -40.6603 1.00000
29 -40.6557 1.00000
30 -40.6541 1.00000
31 -40.6532 1.00000
32 -40.6483 1.00000
33 -24.0268 1.00000
34 -24.0150 1.00000
35 -24.0065 1.00000
36 -24.0016 1.00000
37 -24.0011 1.00000
38 -24.0010 1.00000
39 -23.9941 1.00000
40 -23.9935 1.00000
41 -23.9931 1.00000
42 -23.9927 1.00000
43 -23.9856 1.00000
44 -23.9855 1.00000
45 -23.9853 1.00000
46 -23.9766 1.00000
47 -23.9765 1.00000
48 -23.9764 1.00000
49 -23.8852 1.00000
50 -23.8810 1.00000
51 -23.8641 1.00000
52 -23.8564 1.00000
53 -23.8135 1.00000
54 -23.8131 1.00000
55 -23.8097 1.00000
56 -23.8093 1.00000
57 -23.7996 1.00000
58 -23.7994 1.00000
59 -23.7925 1.00000
60 -23.7924 1.00000
61 -23.7904 1.00000
62 -23.7868 1.00000
63 -23.7799 1.00000
64 -23.7757 1.00000
65 -23.7755 1.00000
66 -23.7745 1.00000
67 -23.7739 1.00000
68 -23.7730 1.00000
69 -23.7727 1.00000
70 -23.7668 1.00000
71 -23.7649 1.00000
72 -23.7595 1.00000
73 -23.7548 1.00000
74 -23.7543 1.00000
75 -23.7511 1.00000
76 -23.7511 1.00000
77 -23.7417 1.00000
78 -23.7388 1.00000
79 -23.7257 1.00000
80 -23.7224 1.00000
81 -23.7203 1.00000
82 -23.7189 1.00000
83 -23.7180 1.00000
84 -23.7180 1.00000
85 -23.7178 1.00000
86 -23.7168 1.00000
87 -23.7147 1.00000
88 -23.7142 1.00000
89 -23.7137 1.00000
90 -23.7098 1.00000
91 -23.7098 1.00000
92 -23.7044 1.00000
93 -23.6844 1.00000
94 -23.6820 1.00000
95 -23.6696 1.00000
96 -23.6664 1.00000
97 -23.6384 1.00000
98 -23.6363 1.00000
99 -23.6228 1.00000
100 -23.6219 1.00000
101 -23.6071 1.00000
102 -23.6057 1.00000
103 -23.6051 1.00000
104 -23.6042 1.00000
105 -23.6040 1.00000
106 -23.6036 1.00000
107 -23.6006 1.00000
108 -23.6004 1.00000
109 -23.5868 1.00000
110 -23.5821 1.00000
111 -23.5670 1.00000
112 -23.5584 1.00000
113 -20.2979 1.00000
114 -19.9505 1.00000
115 -19.7481 1.00000
116 -19.7478 1.00000
117 -19.7187 1.00000
118 -19.6490 1.00000
119 -19.6472 1.00000
120 -19.5270 1.00000
121 -19.3182 1.00000
122 -19.3172 1.00000
123 -19.2718 1.00000
124 -19.2696 1.00000
125 -19.2538 1.00000
126 -19.2273 1.00000
127 -19.1736 1.00000
128 -19.0442 1.00000
129 -18.9066 1.00000
130 -18.8902 1.00000
131 -18.8777 1.00000
132 -18.8771 1.00000
133 -18.8695 1.00000
134 -18.7439 1.00000
135 -18.7121 1.00000
136 -18.7053 1.00000
137 -18.7048 1.00000
138 -18.6261 1.00000
139 -18.5920 1.00000
140 -18.5647 1.00000
141 -18.3932 1.00000
142 -18.3928 1.00000
143 -18.3845 1.00000
144 -18.3839 1.00000
145 -18.3231 1.00000
146 -18.2977 1.00000
147 -18.2309 1.00000
148 -18.2256 1.00000
149 -18.2033 1.00000
150 -18.2030 1.00000
151 -18.1985 1.00000
152 -18.1979 1.00000
153 -18.0939 1.00000
154 -18.0935 1.00000
155 -18.0787 1.00000
156 -18.0784 1.00000
157 -17.5663 1.00000
158 -17.5393 1.00000
159 -17.5074 1.00000
160 -17.5027 1.00000
161 -11.7988 1.00000
162 -11.7358 1.00000
163 -11.5524 1.00000
164 -11.5310 1.00000
165 -11.0048 1.00000
166 -11.0044 1.00000
167 -10.9367 1.00000
168 -10.9356 1.00000
169 -10.8515 1.00000
170 -10.8511 1.00000
171 -10.7856 1.00000
172 -10.7845 1.00000
173 -10.1291 1.00000
174 -10.0680 1.00000
175 -9.9835 1.00000
176 -9.8685 1.00000
177 -7.5265 1.00000
178 -7.3308 1.00000
179 -7.3291 1.00000
180 -7.3256 1.00000
181 -7.2772 1.00000
182 -7.2393 1.00000
183 -7.1083 1.00000
184 -7.1071 1.00000
185 -6.9300 1.00000
186 -6.9224 1.00000
187 -6.9224 1.00000
188 -6.9212 1.00000
189 -6.7781 1.00000
190 -6.7563 1.00000
191 -6.7549 1.00000
192 -6.6517 1.00000
193 -6.5562 1.00000
194 -6.5556 1.00000
195 -6.5480 1.00000
196 -6.4674 1.00000
197 -6.4335 1.00000
198 -6.3702 1.00000
199 -6.3209 1.00000
200 -6.3203 1.00000
201 -6.2951 1.00000
202 -6.2863 1.00000
203 -6.2189 1.00000
204 -6.2183 1.00000
205 -6.1316 1.00000
206 -6.1307 1.00000
207 -6.0278 1.00000
208 -6.0219 1.00000
209 -5.8507 1.00000
210 -5.8218 1.00000
211 -5.8212 1.00000
212 -5.8116 1.00000
213 -5.8085 1.00000
214 -5.8070 1.00000
215 -5.7870 1.00000
216 -5.7860 1.00000
217 -5.6429 1.00000
218 -5.6415 1.00000
219 -5.5997 1.00000
220 -5.5537 1.00000
221 -5.4381 1.00000
222 -5.3308 1.00000
223 -5.2518 1.00000
224 -5.2508 1.00000
225 -5.2287 1.00000
226 -5.2234 1.00000
227 -5.1382 1.00000
228 -5.0964 1.00000
229 -5.0192 1.00000
230 -5.0184 1.00000
231 -4.9661 1.00000
232 -4.8954 1.00000
233 -4.8691 1.00000
234 -4.8659 1.00000
235 -4.8210 1.00000
236 -4.8172 1.00000
237 -4.8166 1.00000
238 -4.7302 1.00000
239 -4.5483 1.00000
240 -4.5471 1.00000
241 -4.4902 1.00000
242 -4.4351 1.00000
243 -4.4348 1.00000
244 -4.4079 1.00000
245 -4.4072 1.00000
246 -4.3507 1.00000
247 -4.1443 1.00000
248 -4.1438 1.00000
249 -4.1390 1.00000
250 -4.1054 1.00000
251 -3.9906 1.00000
252 -3.9901 1.00000
253 -3.9492 1.00000
254 -3.9249 1.00000
255 -3.8750 1.00000
256 -3.8546 1.00000
257 -3.8543 1.00000
258 -3.8072 1.00000
259 -3.7471 1.00000
260 -3.7116 1.00000
261 -3.7009 1.00000
262 -3.7005 1.00000
263 -3.6471 1.00000
264 -3.5539 1.00000
265 -3.5536 1.00000
266 -3.5235 1.00000
267 -3.5232 1.00000
268 -3.4689 1.00000
269 -3.4544 1.00000
270 -3.4340 1.00000
271 -3.4336 1.00000
272 -3.3169 1.00000
273 -3.2709 1.00000
274 -3.2312 1.00000
275 -3.2277 1.00000
276 -3.2272 1.00000
277 -3.2043 1.00000
278 -3.2040 1.00000
279 -3.1622 1.00000
280 -3.1120 1.00000
281 -3.1103 1.00000
282 -3.1099 1.00000
283 -3.0725 1.00000
284 -3.0719 1.00000
285 -3.0591 1.00000
286 -3.0217 1.00000
287 -2.9188 1.00000
288 -2.9185 1.00000
289 -2.9018 1.00000
290 -2.8743 1.00000
291 -2.8001 1.00000
292 -2.7998 1.00000
293 -2.7679 1.00000
294 -2.7543 1.00000
295 -2.7443 1.00000
296 -2.7442 1.00000
297 -2.7303 1.00000
298 -2.7166 1.00000
299 -2.7079 1.00000
300 -2.7077 1.00000
301 -2.6846 1.00000
302 -2.6518 1.00000
303 -2.6066 1.00000
304 -2.6057 1.00000
305 -2.4979 1.00000
306 -2.4972 1.00000
307 -2.4635 1.00000
308 -2.4346 1.00000
309 -2.4135 1.00000
310 -2.4133 1.00000
311 -2.4077 1.00000
312 -2.2730 1.00000
313 -2.2564 1.00000
314 -2.2559 1.00000
315 -2.1506 1.00000
316 -2.1262 1.00000
317 -2.1084 1.00000
318 -2.1035 1.00000
319 -2.0536 1.00000
320 -1.9405 1.00000
321 0.5994 0.00000
322 0.8931 0.00000
323 0.9082 0.00000
324 0.9822 0.00000
325 0.9823 0.00000
326 1.0611 0.00000
327 1.0616 0.00000
328 1.1066 0.00000
329 1.3021 0.00000
330 1.3028 0.00000
331 1.4108 0.00000
332 1.4168 0.00000
333 1.4176 0.00000
334 1.4184 0.00000
335 1.4395 0.00000
336 1.4405 0.00000
337 1.5588 0.00000
338 1.6728 0.00000
339 1.7260 0.00000
340 1.7675 0.00000
341 1.9045 0.00000
342 1.9783 0.00000
343 1.9785 0.00000
344 1.9798 0.00000
345 1.9806 0.00000
346 2.0593 0.00000
347 2.0968 0.00000
348 2.0971 0.00000
349 2.2759 0.00000
350 2.3241 0.00000
351 2.3247 0.00000
352 2.3525 0.00000
353 2.4056 0.00000
354 2.5104 0.00000
355 2.6291 0.00000
356 2.7861 0.00000
357 2.7863 0.00000
358 2.8150 0.00000
359 2.9113 0.00000
360 2.9709 0.00000
361 2.9718 0.00000
362 3.0098 0.00000
363 3.1011 0.00000
364 3.1261 0.00000
365 3.2053 0.00000
366 3.2413 0.00000
367 3.2547 0.00000
368 3.2768 0.00000
369 3.2779 0.00000
370 3.3342 0.00000
371 3.4260 0.00000
372 3.5535 0.00000
373 3.5537 0.00000
374 3.7840 0.00000
375 3.8605 0.00000
376 3.8639 0.00000
377 3.8925 0.00000
378 3.8930 0.00000
379 3.9316 0.00000
380 4.0003 0.00000
381 4.1275 0.00000
382 4.1315 0.00000
383 4.1332 0.00000
384 4.2438 0.00000
385 4.2450 0.00000
386 4.3262 0.00000
387 4.4048 0.00000
388 4.4529 0.00000
389 4.4537 0.00000
390 4.5250 0.00000
391 4.5603 0.00000
392 4.7128 0.00000
393 4.7136 0.00000
394 4.7465 0.00000
395 4.7880 0.00000
396 4.8460 0.00000
397 4.9506 0.00000
398 4.9574 0.00000
399 4.9935 0.00000
400 4.9936 0.00000
401 5.0097 0.00000
402 5.0279 0.00000
403 5.0654 0.00000
404 5.1181 0.00000
405 5.1181 0.00000
406 5.1221 0.00000
407 5.1337 0.00000
408 5.1340 0.00000
409 5.2023 0.00000
410 5.4132 0.00000
411 5.4504 0.00000
412 5.4509 0.00000
413 5.5494 0.00000
414 5.5501 0.00000
415 5.6091 0.00000
416 5.6160 0.00000
417 5.7269 0.00000
418 5.7412 0.00000
419 5.7557 0.00000
420 5.7559 0.00000
421 5.7578 0.00000
422 5.7581 0.00000
423 5.8021 0.00000
424 6.0003 0.00000
425 6.0004 0.00000
426 6.0827 0.00000
427 6.0827 0.00000
428 6.2062 0.00000
429 6.2064 0.00000
430 6.2442 0.00000
431 6.3422 0.00000
432 6.3424 0.00000
433 6.3815 0.00000
434 6.5172 0.00000
435 6.5313 0.00000
436 6.5861 0.00000
437 6.6064 0.00000
438 6.6065 0.00000
439 6.7300 0.00000
440 6.7301 0.00000
441 6.8922 0.00000
442 6.8924 0.00000
443 7.2813 0.00000
444 7.5006 0.00000
445 7.5061 0.00000
446 7.5207 0.00000
447 7.5390 0.00000
448 7.5410 0.00000
449 7.6940 0.00000
450 7.6948 0.00000
451 7.6994 0.00000
452 7.7010 0.00000
453 7.7433 0.00000
454 7.7581 0.00000
455 7.8550 0.00000
456 7.8655 0.00000
457 7.8811 0.00000
458 7.9602 0.00000
459 8.0995 0.00000
460 8.3006 0.00000
461 8.3223 0.00000
462 8.4107 0.00000
463 8.4647 0.00000
464 8.4755 0.00000
465 8.4780 0.00000
466 8.5508 0.00000
467 8.5665 0.00000
468 8.7589 0.00000
469 8.8219 0.00000
470 8.9114 0.00000
471 8.9490 0.00000
472 9.0377 0.00000
473 9.0493 0.00000
474 9.0651 0.00000
475 9.1915 0.00000
476 9.5556 0.00000
477 9.6577 0.00000
478 9.8437 0.00000
479 10.2531 0.00000
480 10.2557 0.00000
k-point 12 : 0.2500 0.0000 0.5000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3975 1.00000
3 -76.3971 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3923 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7497 1.00000
10 -40.7490 1.00000
11 -40.7471 1.00000
12 -40.7449 1.00000
13 -40.7421 1.00000
14 -40.7415 1.00000
15 -40.7395 1.00000
16 -40.7385 1.00000
17 -40.7286 1.00000
18 -40.7248 1.00000
19 -40.7212 1.00000
20 -40.7205 1.00000
21 -40.7174 1.00000
22 -40.7149 1.00000
23 -40.7145 1.00000
24 -40.7092 1.00000
25 -40.6672 1.00000
26 -40.6609 1.00000
27 -40.6607 1.00000
28 -40.6603 1.00000
29 -40.6556 1.00000
30 -40.6542 1.00000
31 -40.6533 1.00000
32 -40.6485 1.00000
33 -24.0240 1.00000
34 -24.0120 1.00000
35 -24.0096 1.00000
36 -24.0006 1.00000
37 -24.0000 1.00000
38 -23.9999 1.00000
39 -23.9963 1.00000
40 -23.9953 1.00000
41 -23.9947 1.00000
42 -23.9941 1.00000
43 -23.9845 1.00000
44 -23.9844 1.00000
45 -23.9842 1.00000
46 -23.9777 1.00000
47 -23.9777 1.00000
48 -23.9775 1.00000
49 -23.8845 1.00000
50 -23.8815 1.00000
51 -23.8632 1.00000
52 -23.8572 1.00000
53 -23.8129 1.00000
54 -23.8125 1.00000
55 -23.8101 1.00000
56 -23.8097 1.00000
57 -23.7987 1.00000
58 -23.7985 1.00000
59 -23.7932 1.00000
60 -23.7931 1.00000
61 -23.7900 1.00000
62 -23.7875 1.00000
63 -23.7791 1.00000
64 -23.7760 1.00000
65 -23.7755 1.00000
66 -23.7744 1.00000
67 -23.7743 1.00000
68 -23.7733 1.00000
69 -23.7721 1.00000
70 -23.7677 1.00000
71 -23.7639 1.00000
72 -23.7600 1.00000
73 -23.7548 1.00000
74 -23.7543 1.00000
75 -23.7513 1.00000
76 -23.7513 1.00000
77 -23.7414 1.00000
78 -23.7394 1.00000
79 -23.7253 1.00000
80 -23.7215 1.00000
81 -23.7201 1.00000
82 -23.7199 1.00000
83 -23.7186 1.00000
84 -23.7184 1.00000
85 -23.7183 1.00000
86 -23.7171 1.00000
87 -23.7144 1.00000
88 -23.7138 1.00000
89 -23.7111 1.00000
90 -23.7102 1.00000
91 -23.7101 1.00000
92 -23.7050 1.00000
93 -23.6821 1.00000
94 -23.6796 1.00000
95 -23.6716 1.00000
96 -23.6684 1.00000
97 -23.6367 1.00000
98 -23.6348 1.00000
99 -23.6256 1.00000
100 -23.6252 1.00000
101 -23.6069 1.00000
102 -23.6055 1.00000
103 -23.6054 1.00000
104 -23.6042 1.00000
105 -23.6041 1.00000
106 -23.6034 1.00000
107 -23.6007 1.00000
108 -23.6005 1.00000
109 -23.5831 1.00000
110 -23.5778 1.00000
111 -23.5694 1.00000
112 -23.5612 1.00000
113 -20.2654 1.00000
114 -20.0412 1.00000
115 -19.7346 1.00000
116 -19.7341 1.00000
117 -19.6643 1.00000
118 -19.6628 1.00000
119 -19.6429 1.00000
120 -19.5321 1.00000
121 -19.3141 1.00000
122 -19.3130 1.00000
123 -19.2823 1.00000
124 -19.2804 1.00000
125 -19.2534 1.00000
126 -19.2414 1.00000
127 -19.1461 1.00000
128 -19.0620 1.00000
129 -18.9046 1.00000
130 -18.8870 1.00000
131 -18.8642 1.00000
132 -18.8481 1.00000
133 -18.8475 1.00000
134 -18.7922 1.00000
135 -18.7275 1.00000
136 -18.7270 1.00000
137 -18.6832 1.00000
138 -18.6336 1.00000
139 -18.5854 1.00000
140 -18.5658 1.00000
141 -18.3920 1.00000
142 -18.3915 1.00000
143 -18.3847 1.00000
144 -18.3841 1.00000
145 -18.3169 1.00000
146 -18.2987 1.00000
147 -18.2321 1.00000
148 -18.2279 1.00000
149 -18.2030 1.00000
150 -18.2028 1.00000
151 -18.1993 1.00000
152 -18.1986 1.00000
153 -18.0917 1.00000
154 -18.0915 1.00000
155 -18.0809 1.00000
156 -18.0806 1.00000
157 -17.5621 1.00000
158 -17.5429 1.00000
159 -17.5068 1.00000
160 -17.5037 1.00000
161 -11.7647 1.00000
162 -11.7102 1.00000
163 -11.5858 1.00000
164 -11.5712 1.00000
165 -10.9832 1.00000
166 -10.9828 1.00000
167 -10.9154 1.00000
168 -10.9143 1.00000
169 -10.8748 1.00000
170 -10.8744 1.00000
171 -10.8086 1.00000
172 -10.8075 1.00000
173 -10.1120 1.00000
174 -10.0708 1.00000
175 -9.9671 1.00000
176 -9.8847 1.00000
177 -7.4914 1.00000
178 -7.3190 1.00000
179 -7.3118 1.00000
180 -7.2931 1.00000
181 -7.2914 1.00000
182 -7.1085 1.00000
183 -7.0720 1.00000
184 -7.0709 1.00000
185 -7.0520 1.00000
186 -7.0337 1.00000
187 -7.0322 1.00000
188 -6.9187 1.00000
189 -6.8240 1.00000
190 -6.8228 1.00000
191 -6.8208 1.00000
192 -6.6159 1.00000
193 -6.5216 1.00000
194 -6.4982 1.00000
195 -6.4484 1.00000
196 -6.4476 1.00000
197 -6.4474 1.00000
198 -6.3627 1.00000
199 -6.3219 1.00000
200 -6.2843 1.00000
201 -6.2838 1.00000
202 -6.2222 1.00000
203 -6.1732 1.00000
204 -6.1723 1.00000
205 -6.0855 1.00000
206 -6.0850 1.00000
207 -6.0639 1.00000
208 -6.0086 1.00000
209 -5.9278 1.00000
210 -5.9273 1.00000
211 -5.8874 1.00000
212 -5.8337 1.00000
213 -5.7933 1.00000
214 -5.7828 1.00000
215 -5.7325 1.00000
216 -5.7316 1.00000
217 -5.6811 1.00000
218 -5.6627 1.00000
219 -5.6617 1.00000
220 -5.5655 1.00000
221 -5.5242 1.00000
222 -5.4298 1.00000
223 -5.4007 1.00000
224 -5.3999 1.00000
225 -5.2531 1.00000
226 -5.1586 1.00000
227 -5.1062 1.00000
228 -5.0189 1.00000
229 -4.9878 1.00000
230 -4.9871 1.00000
231 -4.9511 1.00000
232 -4.9364 1.00000
233 -4.8990 1.00000
234 -4.8371 1.00000
235 -4.8367 1.00000
236 -4.8254 1.00000
237 -4.6544 1.00000
238 -4.6189 1.00000
239 -4.5716 1.00000
240 -4.5707 1.00000
241 -4.4279 1.00000
242 -4.4271 1.00000
243 -4.4149 1.00000
244 -4.3346 1.00000
245 -4.3302 1.00000
246 -4.3299 1.00000
247 -4.2241 1.00000
248 -4.1727 1.00000
249 -4.0673 1.00000
250 -4.0669 1.00000
251 -4.0453 1.00000
252 -4.0062 1.00000
253 -4.0057 1.00000
254 -3.8937 1.00000
255 -3.8738 1.00000
256 -3.8405 1.00000
257 -3.8404 1.00000
258 -3.7723 1.00000
259 -3.7699 1.00000
260 -3.6897 1.00000
261 -3.6891 1.00000
262 -3.6589 1.00000
263 -3.6318 1.00000
264 -3.5250 1.00000
265 -3.5248 1.00000
266 -3.5080 1.00000
267 -3.5077 1.00000
268 -3.4881 1.00000
269 -3.4671 1.00000
270 -3.4667 1.00000
271 -3.4233 1.00000
272 -3.3373 1.00000
273 -3.2787 1.00000
274 -3.2622 1.00000
275 -3.2358 1.00000
276 -3.2351 1.00000
277 -3.2138 1.00000
278 -3.2136 1.00000
279 -3.1696 1.00000
280 -3.0968 1.00000
281 -3.0962 1.00000
282 -3.0875 1.00000
283 -3.0869 1.00000
284 -3.0688 1.00000
285 -3.0331 1.00000
286 -2.9500 1.00000
287 -2.9298 1.00000
288 -2.9204 1.00000
289 -2.9202 1.00000
290 -2.8623 1.00000
291 -2.8027 1.00000
292 -2.8025 1.00000
293 -2.7954 1.00000
294 -2.7682 1.00000
295 -2.7458 1.00000
296 -2.7456 1.00000
297 -2.7411 1.00000
298 -2.7409 1.00000
299 -2.7401 1.00000
300 -2.7297 1.00000
301 -2.6993 1.00000
302 -2.6679 1.00000
303 -2.6220 1.00000
304 -2.6214 1.00000
305 -2.5306 1.00000
306 -2.5300 1.00000
307 -2.4786 1.00000
308 -2.4429 1.00000
309 -2.4340 1.00000
310 -2.3849 1.00000
311 -2.3848 1.00000
312 -2.2964 1.00000
313 -2.2843 1.00000
314 -2.2838 1.00000
315 -2.2039 1.00000
316 -2.1648 1.00000
317 -2.1558 1.00000
318 -2.0408 1.00000
319 -2.0306 1.00000
320 -1.9188 1.00000
321 0.6750 0.00000
322 0.9050 0.00000
323 0.9599 0.00000
324 1.0075 0.00000
325 1.0075 0.00000
326 1.1045 0.00000
327 1.1077 0.00000
328 1.1081 0.00000
329 1.2882 0.00000
330 1.2891 0.00000
331 1.3466 0.00000
332 1.3827 0.00000
333 1.4173 0.00000
334 1.4182 0.00000
335 1.4733 0.00000
336 1.4737 0.00000
337 1.5689 0.00000
338 1.6399 0.00000
339 1.7384 0.00000
340 1.8324 0.00000
341 1.8541 0.00000
342 1.9222 0.00000
343 1.9227 0.00000
344 2.0338 0.00000
345 2.0339 0.00000
346 2.0489 0.00000
347 2.0494 0.00000
348 2.1043 0.00000
349 2.2425 0.00000
350 2.2460 0.00000
351 2.3444 0.00000
352 2.3449 0.00000
353 2.3963 0.00000
354 2.4912 0.00000
355 2.5488 0.00000
356 2.6534 0.00000
357 2.7303 0.00000
358 2.8317 0.00000
359 2.8323 0.00000
360 2.8767 0.00000
361 2.8769 0.00000
362 2.9919 0.00000
363 3.1171 0.00000
364 3.1210 0.00000
365 3.1821 0.00000
366 3.1826 0.00000
367 3.3642 0.00000
368 3.4513 0.00000
369 3.4530 0.00000
370 3.5145 0.00000
371 3.5566 0.00000
372 3.6072 0.00000
373 3.6079 0.00000
374 3.7493 0.00000
375 3.7958 0.00000
376 3.7965 0.00000
377 3.8717 0.00000
378 3.8791 0.00000
379 3.9853 0.00000
380 4.0559 0.00000
381 4.1710 0.00000
382 4.2168 0.00000
383 4.2182 0.00000
384 4.2696 0.00000
385 4.2852 0.00000
386 4.2867 0.00000
387 4.2959 0.00000
388 4.4193 0.00000
389 4.5829 0.00000
390 4.5832 0.00000
391 4.5974 0.00000
392 4.6226 0.00000
393 4.7411 0.00000
394 4.7699 0.00000
395 4.7741 0.00000
396 4.7747 0.00000
397 4.8080 0.00000
398 4.8931 0.00000
399 4.9165 0.00000
400 5.0277 0.00000
401 5.0406 0.00000
402 5.0407 0.00000
403 5.0638 0.00000
404 5.0639 0.00000
405 5.1452 0.00000
406 5.1915 0.00000
407 5.1917 0.00000
408 5.2622 0.00000
409 5.2942 0.00000
410 5.3577 0.00000
411 5.3581 0.00000
412 5.4426 0.00000
413 5.5344 0.00000
414 5.5348 0.00000
415 5.5549 0.00000
416 5.5555 0.00000
417 5.5557 0.00000
418 5.6273 0.00000
419 5.6628 0.00000
420 5.6630 0.00000
421 5.7159 0.00000
422 5.8218 0.00000
423 5.8219 0.00000
424 5.9171 0.00000
425 5.9173 0.00000
426 5.9346 0.00000
427 6.0079 0.00000
428 6.1633 0.00000
429 6.3063 0.00000
430 6.3064 0.00000
431 6.3541 0.00000
432 6.5027 0.00000
433 6.5943 0.00000
434 6.6675 0.00000
435 6.6676 0.00000
436 6.6988 0.00000
437 6.6989 0.00000
438 6.7868 0.00000
439 6.7869 0.00000
440 7.0587 0.00000
441 7.1229 0.00000
442 7.1232 0.00000
443 7.1815 0.00000
444 7.1816 0.00000
445 7.2219 0.00000
446 7.3032 0.00000
447 7.4385 0.00000
448 7.4390 0.00000
449 7.4649 0.00000
450 7.4740 0.00000
451 7.6350 0.00000
452 7.7359 0.00000
453 7.8051 0.00000
454 7.8249 0.00000
455 7.8288 0.00000
456 7.8705 0.00000
457 7.9135 0.00000
458 8.0533 0.00000
459 8.0721 0.00000
460 8.2086 0.00000
461 8.2629 0.00000
462 8.2649 0.00000
463 8.3123 0.00000
464 8.3720 0.00000
465 8.3838 0.00000
466 8.4952 0.00000
467 8.5763 0.00000
468 8.5827 0.00000
469 8.6006 0.00000
470 8.6358 0.00000
471 8.7575 0.00000
472 8.9046 0.00000
473 8.9389 0.00000
474 9.0095 0.00000
475 9.1422 0.00000
476 9.2575 0.00000
477 9.2818 0.00000
478 9.4502 0.00000
479 9.4526 0.00000
480 9.8375 0.00000
k-point 13 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3975 1.00000
3 -76.3971 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3923 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7485 1.00000
10 -40.7478 1.00000
11 -40.7460 1.00000
12 -40.7443 1.00000
13 -40.7438 1.00000
14 -40.7432 1.00000
15 -40.7406 1.00000
16 -40.7401 1.00000
17 -40.7282 1.00000
18 -40.7249 1.00000
19 -40.7202 1.00000
20 -40.7194 1.00000
21 -40.7156 1.00000
22 -40.7155 1.00000
23 -40.7151 1.00000
24 -40.7104 1.00000
25 -40.6672 1.00000
26 -40.6608 1.00000
27 -40.6606 1.00000
28 -40.6603 1.00000
29 -40.6554 1.00000
30 -40.6543 1.00000
31 -40.6534 1.00000
32 -40.6486 1.00000
33 -24.0172 1.00000
34 -24.0167 1.00000
35 -24.0056 1.00000
36 -24.0030 1.00000
37 -23.9981 1.00000
38 -23.9978 1.00000
39 -23.9977 1.00000
40 -23.9973 1.00000
41 -23.9970 1.00000
42 -23.9968 1.00000
43 -23.9829 1.00000
44 -23.9827 1.00000
45 -23.9824 1.00000
46 -23.9795 1.00000
47 -23.9795 1.00000
48 -23.9794 1.00000
49 -23.8832 1.00000
50 -23.8827 1.00000
51 -23.8619 1.00000
52 -23.8584 1.00000
53 -23.8117 1.00000
54 -23.8112 1.00000
55 -23.8111 1.00000
56 -23.8108 1.00000
57 -23.7974 1.00000
58 -23.7971 1.00000
59 -23.7943 1.00000
60 -23.7942 1.00000
61 -23.7891 1.00000
62 -23.7887 1.00000
63 -23.7775 1.00000
64 -23.7772 1.00000
65 -23.7752 1.00000
66 -23.7748 1.00000
67 -23.7741 1.00000
68 -23.7737 1.00000
69 -23.7712 1.00000
70 -23.7688 1.00000
71 -23.7628 1.00000
72 -23.7606 1.00000
73 -23.7549 1.00000
74 -23.7543 1.00000
75 -23.7515 1.00000
76 -23.7515 1.00000
77 -23.7407 1.00000
78 -23.7403 1.00000
79 -23.7246 1.00000
80 -23.7219 1.00000
81 -23.7199 1.00000
82 -23.7195 1.00000
83 -23.7193 1.00000
84 -23.7190 1.00000
85 -23.7181 1.00000
86 -23.7176 1.00000
87 -23.7139 1.00000
88 -23.7132 1.00000
89 -23.7106 1.00000
90 -23.7105 1.00000
91 -23.7088 1.00000
92 -23.7062 1.00000
93 -23.6770 1.00000
94 -23.6766 1.00000
95 -23.6752 1.00000
96 -23.6725 1.00000
97 -23.6330 1.00000
98 -23.6310 1.00000
99 -23.6306 1.00000
100 -23.6303 1.00000
101 -23.6065 1.00000
102 -23.6058 1.00000
103 -23.6049 1.00000
104 -23.6048 1.00000
105 -23.6039 1.00000
106 -23.6033 1.00000
107 -23.6009 1.00000
108 -23.6007 1.00000
109 -23.5759 1.00000
110 -23.5756 1.00000
111 -23.5702 1.00000
112 -23.5675 1.00000
113 -20.1765 1.00000
114 -20.1687 1.00000
115 -19.7043 1.00000
116 -19.7040 1.00000
117 -19.6962 1.00000
118 -19.6952 1.00000
119 -19.5640 1.00000
120 -19.5594 1.00000
121 -19.3032 1.00000
122 -19.3025 1.00000
123 -19.2984 1.00000
124 -19.2976 1.00000
125 -19.2543 1.00000
126 -19.2478 1.00000
127 -19.1043 1.00000
128 -19.0998 1.00000
129 -18.8918 1.00000
130 -18.8873 1.00000
131 -18.8477 1.00000
132 -18.8456 1.00000
133 -18.7872 1.00000
134 -18.7856 1.00000
135 -18.7820 1.00000
136 -18.7813 1.00000
137 -18.6562 1.00000
138 -18.6525 1.00000
139 -18.5729 1.00000
140 -18.5727 1.00000
141 -18.3908 1.00000
142 -18.3904 1.00000
143 -18.3852 1.00000
144 -18.3847 1.00000
145 -18.3054 1.00000
146 -18.3042 1.00000
147 -18.2329 1.00000
148 -18.2306 1.00000
149 -18.2023 1.00000
150 -18.2023 1.00000
151 -18.2004 1.00000
152 -18.1996 1.00000
153 -18.0880 1.00000
154 -18.0878 1.00000
155 -18.0847 1.00000
156 -18.0841 1.00000
157 -17.5532 1.00000
158 -17.5509 1.00000
159 -17.5055 1.00000
160 -17.5048 1.00000
161 -11.6776 1.00000
162 -11.6771 1.00000
163 -11.6470 1.00000
164 -11.6438 1.00000
165 -10.9318 1.00000
166 -10.9309 1.00000
167 -10.9279 1.00000
168 -10.9278 1.00000
169 -10.8634 1.00000
170 -10.8623 1.00000
171 -10.8618 1.00000
172 -10.8614 1.00000
173 -10.0870 1.00000
174 -10.0819 1.00000
175 -9.9259 1.00000
176 -9.9252 1.00000
177 -7.4058 1.00000
178 -7.3974 1.00000
179 -7.2201 1.00000
180 -7.2194 1.00000
181 -7.1899 1.00000
182 -7.1879 1.00000
183 -7.1830 1.00000
184 -7.1817 1.00000
185 -6.9704 1.00000
186 -6.9696 1.00000
187 -6.9651 1.00000
188 -6.9637 1.00000
189 -6.9205 1.00000
190 -6.9169 1.00000
191 -6.7894 1.00000
192 -6.7891 1.00000
193 -6.5297 1.00000
194 -6.5269 1.00000
195 -6.4452 1.00000
196 -6.4418 1.00000
197 -6.2850 1.00000
198 -6.2838 1.00000
199 -6.2775 1.00000
200 -6.2765 1.00000
201 -6.1793 1.00000
202 -6.1763 1.00000
203 -6.1275 1.00000
204 -6.1269 1.00000
205 -6.1255 1.00000
206 -6.1247 1.00000
207 -6.0195 1.00000
208 -6.0155 1.00000
209 -5.9226 1.00000
210 -5.9209 1.00000
211 -5.8487 1.00000
212 -5.8484 1.00000
213 -5.8458 1.00000
214 -5.8449 1.00000
215 -5.7694 1.00000
216 -5.7666 1.00000
217 -5.6700 1.00000
218 -5.6677 1.00000
219 -5.5984 1.00000
220 -5.5975 1.00000
221 -5.5971 1.00000
222 -5.5964 1.00000
223 -5.5494 1.00000
224 -5.5487 1.00000
225 -5.1348 1.00000
226 -5.1339 1.00000
227 -5.0719 1.00000
228 -5.0703 1.00000
229 -5.0424 1.00000
230 -5.0415 1.00000
231 -4.9137 1.00000
232 -4.9132 1.00000
233 -4.9088 1.00000
234 -4.9082 1.00000
235 -4.7499 1.00000
236 -4.7490 1.00000
237 -4.4962 1.00000
238 -4.4953 1.00000
239 -4.4946 1.00000
240 -4.4939 1.00000
241 -4.4789 1.00000
242 -4.4770 1.00000
243 -4.3965 1.00000
244 -4.3927 1.00000
245 -4.2098 1.00000
246 -4.2096 1.00000
247 -4.2087 1.00000
248 -4.2080 1.00000
249 -4.2056 1.00000
250 -4.2054 1.00000
251 -4.0655 1.00000
252 -4.0633 1.00000
253 -3.8423 1.00000
254 -3.8419 1.00000
255 -3.8404 1.00000
256 -3.8403 1.00000
257 -3.7906 1.00000
258 -3.7873 1.00000
259 -3.7409 1.00000
260 -3.7398 1.00000
261 -3.6211 1.00000
262 -3.6209 1.00000
263 -3.6197 1.00000
264 -3.6190 1.00000
265 -3.5469 1.00000
266 -3.5456 1.00000
267 -3.4718 1.00000
268 -3.4714 1.00000
269 -3.4703 1.00000
270 -3.4699 1.00000
271 -3.3513 1.00000
272 -3.3487 1.00000
273 -3.3105 1.00000
274 -3.3075 1.00000
275 -3.2353 1.00000
276 -3.2353 1.00000
277 -3.2329 1.00000
278 -3.2326 1.00000
279 -3.1018 1.00000
280 -3.1013 1.00000
281 -3.0995 1.00000
282 -3.0989 1.00000
283 -3.0883 1.00000
284 -3.0811 1.00000
285 -2.9288 1.00000
286 -2.9270 1.00000
287 -2.8925 1.00000
288 -2.8920 1.00000
289 -2.8600 1.00000
290 -2.8598 1.00000
291 -2.8593 1.00000
292 -2.8591 1.00000
293 -2.8159 1.00000
294 -2.8154 1.00000
295 -2.7714 1.00000
296 -2.7710 1.00000
297 -2.7666 1.00000
298 -2.7658 1.00000
299 -2.7652 1.00000
300 -2.7645 1.00000
301 -2.6923 1.00000
302 -2.6894 1.00000
303 -2.5953 1.00000
304 -2.5950 1.00000
305 -2.5934 1.00000
306 -2.5927 1.00000
307 -2.4704 1.00000
308 -2.4679 1.00000
309 -2.4384 1.00000
310 -2.4381 1.00000
311 -2.3387 1.00000
312 -2.3380 1.00000
313 -2.3331 1.00000
314 -2.3320 1.00000
315 -2.1871 1.00000
316 -2.1864 1.00000
317 -2.0608 1.00000
318 -2.0604 1.00000
319 -1.9808 1.00000
320 -1.9803 1.00000
321 0.8254 0.00000
322 0.8273 0.00000
323 1.0787 0.00000
324 1.0791 0.00000
325 1.0831 0.00000
326 1.0834 0.00000
327 1.0879 0.00000
328 1.0937 0.00000
329 1.2916 0.00000
330 1.2929 0.00000
331 1.3326 0.00000
332 1.3327 0.00000
333 1.3344 0.00000
334 1.3345 0.00000
335 1.5687 0.00000
336 1.5703 0.00000
337 1.7055 0.00000
338 1.7058 0.00000
339 1.7065 0.00000
340 1.7068 0.00000
341 1.8142 0.00000
342 1.8151 0.00000
343 1.9873 0.00000
344 1.9899 0.00000
345 2.0326 0.00000
346 2.0330 0.00000
347 2.0353 0.00000
348 2.0358 0.00000
349 2.1950 0.00000
350 2.1954 0.00000
351 2.3506 0.00000
352 2.3521 0.00000
353 2.5454 0.00000
354 2.5458 0.00000
355 2.5471 0.00000
356 2.5472 0.00000
357 2.6271 0.00000
358 2.6273 0.00000
359 2.7940 0.00000
360 2.7946 0.00000
361 3.0430 0.00000
362 3.0432 0.00000
363 3.0442 0.00000
364 3.0446 0.00000
365 3.1197 0.00000
366 3.1219 0.00000
367 3.4108 0.00000
368 3.4112 0.00000
369 3.6734 0.00000
370 3.6736 0.00000
371 3.6753 0.00000
372 3.6763 0.00000
373 3.7059 0.00000
374 3.7063 0.00000
375 3.8080 0.00000
376 3.8101 0.00000
377 3.9510 0.00000
378 3.9520 0.00000
379 4.0237 0.00000
380 4.0239 0.00000
381 4.1108 0.00000
382 4.1113 0.00000
383 4.3033 0.00000
384 4.3034 0.00000
385 4.3045 0.00000
386 4.3051 0.00000
387 4.3699 0.00000
388 4.3702 0.00000
389 4.4701 0.00000
390 4.4719 0.00000
391 4.7047 0.00000
392 4.7051 0.00000
393 4.8270 0.00000
394 4.8273 0.00000
395 4.8283 0.00000
396 4.8285 0.00000
397 4.8852 0.00000
398 4.8853 0.00000
399 5.0066 0.00000
400 5.0077 0.00000
401 5.0120 0.00000
402 5.0124 0.00000
403 5.0132 0.00000
404 5.0136 0.00000
405 5.0632 0.00000
406 5.0640 0.00000
407 5.2625 0.00000
408 5.2626 0.00000
409 5.2631 0.00000
410 5.2633 0.00000
411 5.3172 0.00000
412 5.3174 0.00000
413 5.3767 0.00000
414 5.3769 0.00000
415 5.3780 0.00000
416 5.3781 0.00000
417 5.6129 0.00000
418 5.6130 0.00000
419 5.7193 0.00000
420 5.7195 0.00000
421 5.7214 0.00000
422 5.7218 0.00000
423 5.9839 0.00000
424 5.9883 0.00000
425 6.0104 0.00000
426 6.0105 0.00000
427 6.0106 0.00000
428 6.0107 0.00000
429 6.3767 0.00000
430 6.3768 0.00000
431 6.4753 0.00000
432 6.4756 0.00000
433 6.7638 0.00000
434 6.7660 0.00000
435 6.8348 0.00000
436 6.8349 0.00000
437 6.8351 0.00000
438 6.8352 0.00000
439 6.8887 0.00000
440 6.8888 0.00000
441 7.0493 0.00000
442 7.0494 0.00000
443 7.2604 0.00000
444 7.2615 0.00000
445 7.2626 0.00000
446 7.2645 0.00000
447 7.4039 0.00000
448 7.4042 0.00000
449 7.4044 0.00000
450 7.4285 0.00000
451 7.6113 0.00000
452 7.6136 0.00000
453 7.8380 0.00000
454 7.8387 0.00000
455 7.9333 0.00000
456 7.9595 0.00000
457 7.9612 0.00000
458 8.0323 0.00000
459 8.0551 0.00000
460 8.0806 0.00000
461 8.1322 0.00000
462 8.2010 0.00000
463 8.2250 0.00000
464 8.2388 0.00000
465 8.2793 0.00000
466 8.3296 0.00000
467 8.3878 0.00000
468 8.3902 0.00000
469 8.7130 0.00000
470 8.7724 0.00000
471 8.8099 0.00000
472 8.9694 0.00000
473 8.9840 0.00000
474 9.0425 0.00000
475 9.0528 0.00000
476 9.1327 0.00000
477 9.2677 0.00000
478 9.4227 0.00000
479 9.6245 0.00000
480 9.6474 0.00000
k-point 14 : 0.0000 0.2500 0.5000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3977 1.00000
3 -76.3970 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3924 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7495 1.00000
10 -40.7488 1.00000
11 -40.7474 1.00000
12 -40.7452 1.00000
13 -40.7414 1.00000
14 -40.7408 1.00000
15 -40.7403 1.00000
16 -40.7395 1.00000
17 -40.7272 1.00000
18 -40.7245 1.00000
19 -40.7237 1.00000
20 -40.7185 1.00000
21 -40.7179 1.00000
22 -40.7168 1.00000
23 -40.7128 1.00000
24 -40.7093 1.00000
25 -40.6667 1.00000
26 -40.6632 1.00000
27 -40.6597 1.00000
28 -40.6586 1.00000
29 -40.6560 1.00000
30 -40.6560 1.00000
31 -40.6516 1.00000
32 -40.6488 1.00000
33 -24.0220 1.00000
34 -24.0097 1.00000
35 -24.0062 1.00000
36 -24.0037 1.00000
37 -23.9998 1.00000
38 -23.9993 1.00000
39 -23.9985 1.00000
40 -23.9940 1.00000
41 -23.9938 1.00000
42 -23.9921 1.00000
43 -23.9884 1.00000
44 -23.9843 1.00000
45 -23.9829 1.00000
46 -23.9826 1.00000
47 -23.9772 1.00000
48 -23.9764 1.00000
49 -23.8789 1.00000
50 -23.8777 1.00000
51 -23.8586 1.00000
52 -23.8538 1.00000
53 -23.8440 1.00000
54 -23.8354 1.00000
55 -23.8272 1.00000
56 -23.8168 1.00000
57 -23.7937 1.00000
58 -23.7902 1.00000
59 -23.7897 1.00000
60 -23.7865 1.00000
61 -23.7830 1.00000
62 -23.7820 1.00000
63 -23.7815 1.00000
64 -23.7792 1.00000
65 -23.7768 1.00000
66 -23.7754 1.00000
67 -23.7717 1.00000
68 -23.7682 1.00000
69 -23.7649 1.00000
70 -23.7640 1.00000
71 -23.7608 1.00000
72 -23.7608 1.00000
73 -23.7587 1.00000
74 -23.7568 1.00000
75 -23.7422 1.00000
76 -23.7394 1.00000
77 -23.7345 1.00000
78 -23.7311 1.00000
79 -23.7252 1.00000
80 -23.7220 1.00000
81 -23.7197 1.00000
82 -23.7193 1.00000
83 -23.7182 1.00000
84 -23.7173 1.00000
85 -23.7163 1.00000
86 -23.7146 1.00000
87 -23.7132 1.00000
88 -23.7128 1.00000
89 -23.7120 1.00000
90 -23.7099 1.00000
91 -23.7090 1.00000
92 -23.7050 1.00000
93 -23.6896 1.00000
94 -23.6880 1.00000
95 -23.6773 1.00000
96 -23.6745 1.00000
97 -23.6359 1.00000
98 -23.6342 1.00000
99 -23.6213 1.00000
100 -23.6202 1.00000
101 -23.6186 1.00000
102 -23.6175 1.00000
103 -23.6113 1.00000
104 -23.6086 1.00000
105 -23.5980 1.00000
106 -23.5943 1.00000
107 -23.5931 1.00000
108 -23.5883 1.00000
109 -23.5875 1.00000
110 -23.5837 1.00000
111 -23.5708 1.00000
112 -23.5625 1.00000
113 -20.2588 1.00000
114 -19.9679 1.00000
115 -19.9232 1.00000
116 -19.7440 1.00000
117 -19.6990 1.00000
118 -19.6152 1.00000
119 -19.5104 1.00000
120 -19.5042 1.00000
121 -19.3751 1.00000
122 -19.2857 1.00000
123 -19.2784 1.00000
124 -19.2562 1.00000
125 -19.2323 1.00000
126 -19.2239 1.00000
127 -19.1738 1.00000
128 -19.1149 1.00000
129 -18.9068 1.00000
130 -18.8885 1.00000
131 -18.8709 1.00000
132 -18.8704 1.00000
133 -18.8658 1.00000
134 -18.7544 1.00000
135 -18.7155 1.00000
136 -18.6951 1.00000
137 -18.6766 1.00000
138 -18.6110 1.00000
139 -18.5781 1.00000
140 -18.5543 1.00000
141 -18.4877 1.00000
142 -18.4733 1.00000
143 -18.4255 1.00000
144 -18.4124 1.00000
145 -18.3207 1.00000
146 -18.3114 1.00000
147 -18.2913 1.00000
148 -18.2577 1.00000
149 -18.2409 1.00000
150 -18.2294 1.00000
151 -18.2199 1.00000
152 -18.2099 1.00000
153 -17.9660 1.00000
154 -17.9628 1.00000
155 -17.9164 1.00000
156 -17.9155 1.00000
157 -17.6207 1.00000
158 -17.5952 1.00000
159 -17.5646 1.00000
160 -17.5612 1.00000
161 -11.7364 1.00000
162 -11.6829 1.00000
163 -11.4985 1.00000
164 -11.4730 1.00000
165 -11.2932 1.00000
166 -11.2855 1.00000
167 -11.1212 1.00000
168 -11.0686 1.00000
169 -10.6695 1.00000
170 -10.5770 1.00000
171 -10.5755 1.00000
172 -10.4943 1.00000
173 -10.1832 1.00000
174 -10.1487 1.00000
175 -10.0506 1.00000
176 -9.9675 1.00000
177 -7.4611 1.00000
178 -7.3606 1.00000
179 -7.2874 1.00000
180 -7.2804 1.00000
181 -7.2263 1.00000
182 -7.1924 1.00000
183 -7.0992 1.00000
184 -7.0659 1.00000
185 -7.0493 1.00000
186 -7.0258 1.00000
187 -6.9992 1.00000
188 -6.9061 1.00000
189 -6.8804 1.00000
190 -6.8647 1.00000
191 -6.7687 1.00000
192 -6.6601 1.00000
193 -6.5884 1.00000
194 -6.5595 1.00000
195 -6.5441 1.00000
196 -6.4041 1.00000
197 -6.3563 1.00000
198 -6.2909 1.00000
199 -6.2865 1.00000
200 -6.2779 1.00000
201 -6.2678 1.00000
202 -6.2614 1.00000
203 -6.2201 1.00000
204 -6.1280 1.00000
205 -6.1191 1.00000
206 -6.1056 1.00000
207 -6.0986 1.00000
208 -5.9496 1.00000
209 -5.9429 1.00000
210 -5.9154 1.00000
211 -5.8795 1.00000
212 -5.8691 1.00000
213 -5.8618 1.00000
214 -5.8572 1.00000
215 -5.6526 1.00000
216 -5.6445 1.00000
217 -5.6194 1.00000
218 -5.6166 1.00000
219 -5.5684 1.00000
220 -5.5424 1.00000
221 -5.5142 1.00000
222 -5.4630 1.00000
223 -5.3832 1.00000
224 -5.3549 1.00000
225 -5.2986 1.00000
226 -5.1893 1.00000
227 -5.1455 1.00000
228 -5.0733 1.00000
229 -5.0353 1.00000
230 -4.9344 1.00000
231 -4.8755 1.00000
232 -4.8669 1.00000
233 -4.8360 1.00000
234 -4.7628 1.00000
235 -4.7541 1.00000
236 -4.7453 1.00000
237 -4.7227 1.00000
238 -4.6481 1.00000
239 -4.6154 1.00000
240 -4.5290 1.00000
241 -4.5251 1.00000
242 -4.5056 1.00000
243 -4.5043 1.00000
244 -4.3818 1.00000
245 -4.3590 1.00000
246 -4.2821 1.00000
247 -4.1942 1.00000
248 -4.1798 1.00000
249 -4.0909 1.00000
250 -4.0625 1.00000
251 -4.0250 1.00000
252 -3.9919 1.00000
253 -3.9456 1.00000
254 -3.9362 1.00000
255 -3.9285 1.00000
256 -3.8610 1.00000
257 -3.8556 1.00000
258 -3.8272 1.00000
259 -3.7809 1.00000
260 -3.7624 1.00000
261 -3.7358 1.00000
262 -3.6788 1.00000
263 -3.6440 1.00000
264 -3.6100 1.00000
265 -3.5670 1.00000
266 -3.5332 1.00000
267 -3.5264 1.00000
268 -3.5185 1.00000
269 -3.5166 1.00000
270 -3.4552 1.00000
271 -3.3988 1.00000
272 -3.3586 1.00000
273 -3.3220 1.00000
274 -3.3067 1.00000
275 -3.2638 1.00000
276 -3.2496 1.00000
277 -3.1889 1.00000
278 -3.1777 1.00000
279 -3.1726 1.00000
280 -3.1407 1.00000
281 -3.1367 1.00000
282 -3.0750 1.00000
283 -3.0698 1.00000
284 -3.0381 1.00000
285 -3.0375 1.00000
286 -2.9460 1.00000
287 -2.9104 1.00000
288 -2.8832 1.00000
289 -2.8787 1.00000
290 -2.8561 1.00000
291 -2.8369 1.00000
292 -2.7985 1.00000
293 -2.7841 1.00000
294 -2.7824 1.00000
295 -2.7645 1.00000
296 -2.7605 1.00000
297 -2.7458 1.00000
298 -2.6991 1.00000
299 -2.6767 1.00000
300 -2.6767 1.00000
301 -2.6003 1.00000
302 -2.5993 1.00000
303 -2.5981 1.00000
304 -2.5596 1.00000
305 -2.4850 1.00000
306 -2.4719 1.00000
307 -2.4363 1.00000
308 -2.4350 1.00000
309 -2.3639 1.00000
310 -2.3592 1.00000
311 -2.3339 1.00000
312 -2.3273 1.00000
313 -2.2502 1.00000
314 -2.2138 1.00000
315 -2.1751 1.00000
316 -2.1467 1.00000
317 -2.1426 1.00000
318 -2.1378 1.00000
319 -2.0863 1.00000
320 -1.9935 1.00000
321 0.6597 0.00000
322 0.8841 0.00000
323 0.8935 0.00000
324 0.9214 0.00000
325 1.0398 0.00000
326 1.0701 0.00000
327 1.0738 0.00000
328 1.1158 0.00000
329 1.1352 0.00000
330 1.3260 0.00000
331 1.3792 0.00000
332 1.4140 0.00000
333 1.4354 0.00000
334 1.4359 0.00000
335 1.4982 0.00000
336 1.5170 0.00000
337 1.5320 0.00000
338 1.6116 0.00000
339 1.7039 0.00000
340 1.7336 0.00000
341 1.8970 0.00000
342 1.9039 0.00000
343 1.9668 0.00000
344 1.9702 0.00000
345 2.0462 0.00000
346 2.1081 0.00000
347 2.1255 0.00000
348 2.1396 0.00000
349 2.2321 0.00000
350 2.2562 0.00000
351 2.3276 0.00000
352 2.3464 0.00000
353 2.3478 0.00000
354 2.4984 0.00000
355 2.6378 0.00000
356 2.6759 0.00000
357 2.7675 0.00000
358 2.8356 0.00000
359 2.8977 0.00000
360 2.9131 0.00000
361 2.9873 0.00000
362 3.0298 0.00000
363 3.0339 0.00000
364 3.0776 0.00000
365 3.1348 0.00000
366 3.2267 0.00000
367 3.2309 0.00000
368 3.3768 0.00000
369 3.4563 0.00000
370 3.5191 0.00000
371 3.5247 0.00000
372 3.5406 0.00000
373 3.6731 0.00000
374 3.8103 0.00000
375 3.8251 0.00000
376 3.8351 0.00000
377 3.8554 0.00000
378 3.9756 0.00000
379 4.0171 0.00000
380 4.0220 0.00000
381 4.0941 0.00000
382 4.0972 0.00000
383 4.1038 0.00000
384 4.2555 0.00000
385 4.2584 0.00000
386 4.3434 0.00000
387 4.3715 0.00000
388 4.4011 0.00000
389 4.4084 0.00000
390 4.5037 0.00000
391 4.5795 0.00000
392 4.6263 0.00000
393 4.7312 0.00000
394 4.7457 0.00000
395 4.8255 0.00000
396 4.8636 0.00000
397 4.9072 0.00000
398 4.9101 0.00000
399 4.9506 0.00000
400 4.9726 0.00000
401 4.9962 0.00000
402 5.0303 0.00000
403 5.0377 0.00000
404 5.1066 0.00000
405 5.1513 0.00000
406 5.1553 0.00000
407 5.1803 0.00000
408 5.2453 0.00000
409 5.3275 0.00000
410 5.3543 0.00000
411 5.4221 0.00000
412 5.4457 0.00000
413 5.4996 0.00000
414 5.5194 0.00000
415 5.5319 0.00000
416 5.6127 0.00000
417 5.6283 0.00000
418 5.6579 0.00000
419 5.6713 0.00000
420 5.6974 0.00000
421 5.7970 0.00000
422 5.7977 0.00000
423 5.8346 0.00000
424 5.8820 0.00000
425 5.9313 0.00000
426 5.9830 0.00000
427 6.0724 0.00000
428 6.1322 0.00000
429 6.3043 0.00000
430 6.3137 0.00000
431 6.3485 0.00000
432 6.5229 0.00000
433 6.6074 0.00000
434 6.6097 0.00000
435 6.6551 0.00000
436 6.6662 0.00000
437 6.6853 0.00000
438 6.7865 0.00000
439 6.8057 0.00000
440 7.1091 0.00000
441 7.1388 0.00000
442 7.1766 0.00000
443 7.1906 0.00000
444 7.2074 0.00000
445 7.2102 0.00000
446 7.2369 0.00000
447 7.2607 0.00000
448 7.4000 0.00000
449 7.4359 0.00000
450 7.5932 0.00000
451 7.7496 0.00000
452 7.8416 0.00000
453 7.8433 0.00000
454 7.8545 0.00000
455 7.8928 0.00000
456 7.9324 0.00000
457 7.9842 0.00000
458 8.0461 0.00000
459 8.1651 0.00000
460 8.1773 0.00000
461 8.2298 0.00000
462 8.2513 0.00000
463 8.2667 0.00000
464 8.3396 0.00000
465 8.3602 0.00000
466 8.4369 0.00000
467 8.4703 0.00000
468 8.4718 0.00000
469 8.5373 0.00000
470 8.5752 0.00000
471 8.6008 0.00000
472 8.8330 0.00000
473 8.9670 0.00000
474 8.9690 0.00000
475 9.1272 0.00000
476 9.1405 0.00000
477 9.3431 0.00000
478 9.4831 0.00000
479 9.5384 0.00000
480 9.7701 0.00000
k-point 15 : 0.2500 0.2500 0.5000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3977 1.00000
3 -76.3970 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3924 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7497 1.00000
10 -40.7477 1.00000
11 -40.7475 1.00000
12 -40.7453 1.00000
13 -40.7432 1.00000
14 -40.7410 1.00000
15 -40.7400 1.00000
16 -40.7383 1.00000
17 -40.7276 1.00000
18 -40.7243 1.00000
19 -40.7238 1.00000
20 -40.7189 1.00000
21 -40.7168 1.00000
22 -40.7168 1.00000
23 -40.7128 1.00000
24 -40.7099 1.00000
25 -40.6667 1.00000
26 -40.6631 1.00000
27 -40.6598 1.00000
28 -40.6586 1.00000
29 -40.6561 1.00000
30 -40.6558 1.00000
31 -40.6516 1.00000
32 -40.6489 1.00000
33 -24.0200 1.00000
34 -24.0090 1.00000
35 -24.0075 1.00000
36 -24.0039 1.00000
37 -24.0009 1.00000
38 -23.9987 1.00000
39 -23.9970 1.00000
40 -23.9953 1.00000
41 -23.9941 1.00000
42 -23.9936 1.00000
43 -23.9887 1.00000
44 -23.9850 1.00000
45 -23.9832 1.00000
46 -23.9805 1.00000
47 -23.9775 1.00000
48 -23.9761 1.00000
49 -23.8789 1.00000
50 -23.8779 1.00000
51 -23.8584 1.00000
52 -23.8542 1.00000
53 -23.8428 1.00000
54 -23.8367 1.00000
55 -23.8260 1.00000
56 -23.8183 1.00000
57 -23.7933 1.00000
58 -23.7907 1.00000
59 -23.7894 1.00000
60 -23.7872 1.00000
61 -23.7830 1.00000
62 -23.7820 1.00000
63 -23.7805 1.00000
64 -23.7790 1.00000
65 -23.7773 1.00000
66 -23.7756 1.00000
67 -23.7714 1.00000
68 -23.7684 1.00000
69 -23.7644 1.00000
70 -23.7640 1.00000
71 -23.7612 1.00000
72 -23.7609 1.00000
73 -23.7583 1.00000
74 -23.7570 1.00000
75 -23.7418 1.00000
76 -23.7399 1.00000
77 -23.7344 1.00000
78 -23.7312 1.00000
79 -23.7247 1.00000
80 -23.7213 1.00000
81 -23.7199 1.00000
82 -23.7194 1.00000
83 -23.7194 1.00000
84 -23.7185 1.00000
85 -23.7159 1.00000
86 -23.7142 1.00000
87 -23.7131 1.00000
88 -23.7127 1.00000
89 -23.7110 1.00000
90 -23.7099 1.00000
91 -23.7086 1.00000
92 -23.7055 1.00000
93 -23.6877 1.00000
94 -23.6860 1.00000
95 -23.6790 1.00000
96 -23.6763 1.00000
97 -23.6343 1.00000
98 -23.6328 1.00000
99 -23.6239 1.00000
100 -23.6233 1.00000
101 -23.6177 1.00000
102 -23.6166 1.00000
103 -23.6127 1.00000
104 -23.6101 1.00000
105 -23.5970 1.00000
106 -23.5936 1.00000
107 -23.5931 1.00000
108 -23.5881 1.00000
109 -23.5850 1.00000
110 -23.5798 1.00000
111 -23.5729 1.00000
112 -23.5650 1.00000
113 -20.2269 1.00000
114 -20.0110 1.00000
115 -19.9454 1.00000
116 -19.7980 1.00000
117 -19.6249 1.00000
118 -19.5792 1.00000
119 -19.5151 1.00000
120 -19.5102 1.00000
121 -19.3623 1.00000
122 -19.2957 1.00000
123 -19.2777 1.00000
124 -19.2558 1.00000
125 -19.2442 1.00000
126 -19.2395 1.00000
127 -19.1571 1.00000
128 -19.1226 1.00000
129 -18.9080 1.00000
130 -18.8712 1.00000
131 -18.8711 1.00000
132 -18.8548 1.00000
133 -18.8348 1.00000
134 -18.7712 1.00000
135 -18.7660 1.00000
136 -18.7063 1.00000
137 -18.6625 1.00000
138 -18.6155 1.00000
139 -18.5752 1.00000
140 -18.5562 1.00000
141 -18.4787 1.00000
142 -18.4710 1.00000
143 -18.4257 1.00000
144 -18.4178 1.00000
145 -18.3144 1.00000
146 -18.3051 1.00000
147 -18.2911 1.00000
148 -18.2724 1.00000
149 -18.2413 1.00000
150 -18.2332 1.00000
151 -18.2132 1.00000
152 -18.2084 1.00000
153 -17.9652 1.00000
154 -17.9624 1.00000
155 -17.9168 1.00000
156 -17.9161 1.00000
157 -17.6166 1.00000
158 -17.5983 1.00000
159 -17.5641 1.00000
160 -17.5617 1.00000
161 -11.7026 1.00000
162 -11.6572 1.00000
163 -11.5302 1.00000
164 -11.5142 1.00000
165 -11.2704 1.00000
166 -11.2555 1.00000
167 -11.1483 1.00000
168 -11.1032 1.00000
169 -10.6547 1.00000
170 -10.5878 1.00000
171 -10.5642 1.00000
172 -10.5056 1.00000
173 -10.1709 1.00000
174 -10.1484 1.00000
175 -10.0382 1.00000
176 -9.9787 1.00000
177 -7.4525 1.00000
178 -7.3487 1.00000
179 -7.3184 1.00000
180 -7.2521 1.00000
181 -7.2015 1.00000
182 -7.1793 1.00000
183 -7.0826 1.00000
184 -7.0812 1.00000
185 -7.0527 1.00000
186 -6.9923 1.00000
187 -6.9641 1.00000
188 -6.9017 1.00000
189 -6.8918 1.00000
190 -6.8845 1.00000
191 -6.7687 1.00000
192 -6.6596 1.00000
193 -6.6079 1.00000
194 -6.5867 1.00000
195 -6.5431 1.00000
196 -6.4606 1.00000
197 -6.3711 1.00000
198 -6.3619 1.00000
199 -6.3287 1.00000
200 -6.2702 1.00000
201 -6.2700 1.00000
202 -6.1726 1.00000
203 -6.1581 1.00000
204 -6.1491 1.00000
205 -6.0913 1.00000
206 -6.0347 1.00000
207 -6.0089 1.00000
208 -6.0054 1.00000
209 -5.9909 1.00000
210 -5.9696 1.00000
211 -5.9152 1.00000
212 -5.8693 1.00000
213 -5.8500 1.00000
214 -5.8446 1.00000
215 -5.7301 1.00000
216 -5.6795 1.00000
217 -5.6691 1.00000
218 -5.6379 1.00000
219 -5.5609 1.00000
220 -5.5527 1.00000
221 -5.4970 1.00000
222 -5.4387 1.00000
223 -5.4301 1.00000
224 -5.3527 1.00000
225 -5.2839 1.00000
226 -5.2006 1.00000
227 -5.1408 1.00000
228 -5.1317 1.00000
229 -4.9538 1.00000
230 -4.9069 1.00000
231 -4.8866 1.00000
232 -4.8725 1.00000
233 -4.8603 1.00000
234 -4.7802 1.00000
235 -4.7665 1.00000
236 -4.6827 1.00000
237 -4.6803 1.00000
238 -4.6175 1.00000
239 -4.5926 1.00000
240 -4.5881 1.00000
241 -4.4942 1.00000
242 -4.4750 1.00000
243 -4.3729 1.00000
244 -4.3710 1.00000
245 -4.3231 1.00000
246 -4.2420 1.00000
247 -4.2402 1.00000
248 -4.2310 1.00000
249 -4.1084 1.00000
250 -4.1065 1.00000
251 -4.0485 1.00000
252 -4.0455 1.00000
253 -3.9527 1.00000
254 -3.9390 1.00000
255 -3.9073 1.00000
256 -3.8359 1.00000
257 -3.8252 1.00000
258 -3.8241 1.00000
259 -3.8207 1.00000
260 -3.7336 1.00000
261 -3.6557 1.00000
262 -3.6433 1.00000
263 -3.6350 1.00000
264 -3.5877 1.00000
265 -3.5350 1.00000
266 -3.5311 1.00000
267 -3.4868 1.00000
268 -3.4823 1.00000
269 -3.4642 1.00000
270 -3.4420 1.00000
271 -3.4257 1.00000
272 -3.3511 1.00000
273 -3.3497 1.00000
274 -3.2855 1.00000
275 -3.2784 1.00000
276 -3.2413 1.00000
277 -3.2076 1.00000
278 -3.1986 1.00000
279 -3.1896 1.00000
280 -3.1225 1.00000
281 -3.1035 1.00000
282 -3.0935 1.00000
283 -3.0821 1.00000
284 -3.0324 1.00000
285 -2.9866 1.00000
286 -2.9648 1.00000
287 -2.9578 1.00000
288 -2.9080 1.00000
289 -2.8863 1.00000
290 -2.8735 1.00000
291 -2.8326 1.00000
292 -2.8200 1.00000
293 -2.7902 1.00000
294 -2.7881 1.00000
295 -2.7546 1.00000
296 -2.7466 1.00000
297 -2.7325 1.00000
298 -2.7096 1.00000
299 -2.6826 1.00000
300 -2.6818 1.00000
301 -2.6496 1.00000
302 -2.6422 1.00000
303 -2.6361 1.00000
304 -2.5541 1.00000
305 -2.5044 1.00000
306 -2.4720 1.00000
307 -2.4667 1.00000
308 -2.4484 1.00000
309 -2.4054 1.00000
310 -2.3317 1.00000
311 -2.3145 1.00000
312 -2.3102 1.00000
313 -2.3056 1.00000
314 -2.2980 1.00000
315 -2.1962 1.00000
316 -2.1860 1.00000
317 -2.1606 1.00000
318 -2.0802 1.00000
319 -2.0666 1.00000
320 -1.9706 1.00000
321 0.7251 0.00000
322 0.8916 0.00000
323 0.9183 0.00000
324 0.9806 0.00000
325 1.0362 0.00000
326 1.0907 0.00000
327 1.1103 0.00000
328 1.1160 0.00000
329 1.2082 0.00000
330 1.3179 0.00000
331 1.3443 0.00000
332 1.3658 0.00000
333 1.3760 0.00000
334 1.4162 0.00000
335 1.5125 0.00000
336 1.5629 0.00000
337 1.5795 0.00000
338 1.6633 0.00000
339 1.6719 0.00000
340 1.7805 0.00000
341 1.8165 0.00000
342 1.8263 0.00000
343 1.9509 0.00000
344 1.9734 0.00000
345 2.0508 0.00000
346 2.0669 0.00000
347 2.1290 0.00000
348 2.1461 0.00000
349 2.1591 0.00000
350 2.1741 0.00000
351 2.2726 0.00000
352 2.3553 0.00000
353 2.3722 0.00000
354 2.5384 0.00000
355 2.5756 0.00000
356 2.6782 0.00000
357 2.7465 0.00000
358 2.7727 0.00000
359 2.8630 0.00000
360 2.9065 0.00000
361 2.9348 0.00000
362 3.0032 0.00000
363 3.0391 0.00000
364 3.1835 0.00000
365 3.1892 0.00000
366 3.2568 0.00000
367 3.3802 0.00000
368 3.3838 0.00000
369 3.5134 0.00000
370 3.5539 0.00000
371 3.5729 0.00000
372 3.6570 0.00000
373 3.7064 0.00000
374 3.7734 0.00000
375 3.7775 0.00000
376 3.8688 0.00000
377 3.8741 0.00000
378 3.8917 0.00000
379 4.0822 0.00000
380 4.0900 0.00000
381 4.0909 0.00000
382 4.1223 0.00000
383 4.1522 0.00000
384 4.2274 0.00000
385 4.2563 0.00000
386 4.3343 0.00000
387 4.3592 0.00000
388 4.3815 0.00000
389 4.4956 0.00000
390 4.5186 0.00000
391 4.5449 0.00000
392 4.6434 0.00000
393 4.6786 0.00000
394 4.7457 0.00000
395 4.7767 0.00000
396 4.7893 0.00000
397 4.8199 0.00000
398 4.8269 0.00000
399 4.8852 0.00000
400 4.8958 0.00000
401 4.9440 0.00000
402 5.0167 0.00000
403 5.0273 0.00000
404 5.0636 0.00000
405 5.0924 0.00000
406 5.1518 0.00000
407 5.1626 0.00000
408 5.2788 0.00000
409 5.3050 0.00000
410 5.3382 0.00000
411 5.4127 0.00000
412 5.4231 0.00000
413 5.4834 0.00000
414 5.5012 0.00000
415 5.5415 0.00000
416 5.5863 0.00000
417 5.6879 0.00000
418 5.6945 0.00000
419 5.7500 0.00000
420 5.7650 0.00000
421 5.8224 0.00000
422 5.9000 0.00000
423 5.9391 0.00000
424 5.9835 0.00000
425 6.0908 0.00000
426 6.1069 0.00000
427 6.1312 0.00000
428 6.1448 0.00000
429 6.2134 0.00000
430 6.3468 0.00000
431 6.4113 0.00000
432 6.4147 0.00000
433 6.4803 0.00000
434 6.5896 0.00000
435 6.6678 0.00000
436 6.6866 0.00000
437 6.8700 0.00000
438 7.0155 0.00000
439 7.0577 0.00000
440 7.0589 0.00000
441 7.0978 0.00000
442 7.1084 0.00000
443 7.1374 0.00000
444 7.1547 0.00000
445 7.2437 0.00000
446 7.2779 0.00000
447 7.2912 0.00000
448 7.3633 0.00000
449 7.4262 0.00000
450 7.5189 0.00000
451 7.5943 0.00000
452 7.6618 0.00000
453 7.7112 0.00000
454 7.7284 0.00000
455 7.7610 0.00000
456 7.7877 0.00000
457 7.8516 0.00000
458 7.9298 0.00000
459 7.9356 0.00000
460 8.0954 0.00000
461 8.1592 0.00000
462 8.2630 0.00000
463 8.2968 0.00000
464 8.3090 0.00000
465 8.3173 0.00000
466 8.3705 0.00000
467 8.3821 0.00000
468 8.3912 0.00000
469 8.4969 0.00000
470 8.5789 0.00000
471 8.5797 0.00000
472 8.6316 0.00000
473 8.6485 0.00000
474 8.7619 0.00000
475 8.8136 0.00000
476 8.9352 0.00000
477 9.0074 0.00000
478 9.0095 0.00000
479 9.0738 0.00000
480 9.1604 0.00000
k-point 16 : -0.2500 0.2500 0.5000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3977 1.00000
3 -76.3970 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3924 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7498 1.00000
10 -40.7477 1.00000
11 -40.7476 1.00000
12 -40.7453 1.00000
13 -40.7428 1.00000
14 -40.7406 1.00000
15 -40.7403 1.00000
16 -40.7385 1.00000
17 -40.7277 1.00000
18 -40.7243 1.00000
19 -40.7240 1.00000
20 -40.7187 1.00000
21 -40.7167 1.00000
22 -40.7167 1.00000
23 -40.7129 1.00000
24 -40.7099 1.00000
25 -40.6667 1.00000
26 -40.6631 1.00000
27 -40.6598 1.00000
28 -40.6586 1.00000
29 -40.6560 1.00000
30 -40.6558 1.00000
31 -40.6516 1.00000
32 -40.6489 1.00000
33 -24.0200 1.00000
34 -24.0090 1.00000
35 -24.0075 1.00000
36 -24.0040 1.00000
37 -24.0008 1.00000
38 -23.9987 1.00000
39 -23.9969 1.00000
40 -23.9952 1.00000
41 -23.9941 1.00000
42 -23.9937 1.00000
43 -23.9887 1.00000
44 -23.9849 1.00000
45 -23.9832 1.00000
46 -23.9805 1.00000
47 -23.9776 1.00000
48 -23.9762 1.00000
49 -23.8789 1.00000
50 -23.8779 1.00000
51 -23.8584 1.00000
52 -23.8542 1.00000
53 -23.8428 1.00000
54 -23.8367 1.00000
55 -23.8259 1.00000
56 -23.8183 1.00000
57 -23.7932 1.00000
58 -23.7909 1.00000
59 -23.7894 1.00000
60 -23.7873 1.00000
61 -23.7827 1.00000
62 -23.7822 1.00000
63 -23.7805 1.00000
64 -23.7790 1.00000
65 -23.7773 1.00000
66 -23.7756 1.00000
67 -23.7713 1.00000
68 -23.7685 1.00000
69 -23.7644 1.00000
70 -23.7640 1.00000
71 -23.7612 1.00000
72 -23.7609 1.00000
73 -23.7584 1.00000
74 -23.7569 1.00000
75 -23.7418 1.00000
76 -23.7399 1.00000
77 -23.7344 1.00000
78 -23.7312 1.00000
79 -23.7247 1.00000
80 -23.7212 1.00000
81 -23.7198 1.00000
82 -23.7194 1.00000
83 -23.7194 1.00000
84 -23.7185 1.00000
85 -23.7159 1.00000
86 -23.7144 1.00000
87 -23.7130 1.00000
88 -23.7127 1.00000
89 -23.7110 1.00000
90 -23.7099 1.00000
91 -23.7086 1.00000
92 -23.7055 1.00000
93 -23.6878 1.00000
94 -23.6860 1.00000
95 -23.6790 1.00000
96 -23.6763 1.00000
97 -23.6343 1.00000
98 -23.6328 1.00000
99 -23.6240 1.00000
100 -23.6233 1.00000
101 -23.6177 1.00000
102 -23.6166 1.00000
103 -23.6127 1.00000
104 -23.6101 1.00000
105 -23.5970 1.00000
106 -23.5936 1.00000
107 -23.5931 1.00000
108 -23.5881 1.00000
109 -23.5850 1.00000
110 -23.5798 1.00000
111 -23.5729 1.00000
112 -23.5650 1.00000
113 -20.2270 1.00000
114 -20.0107 1.00000
115 -19.9451 1.00000
116 -19.7988 1.00000
117 -19.6253 1.00000
118 -19.5777 1.00000
119 -19.5162 1.00000
120 -19.5100 1.00000
121 -19.3615 1.00000
122 -19.2963 1.00000
123 -19.2779 1.00000
124 -19.2558 1.00000
125 -19.2441 1.00000
126 -19.2395 1.00000
127 -19.1572 1.00000
128 -19.1225 1.00000
129 -18.9076 1.00000
130 -18.8717 1.00000
131 -18.8715 1.00000
132 -18.8547 1.00000
133 -18.8345 1.00000
134 -18.7711 1.00000
135 -18.7662 1.00000
136 -18.7062 1.00000
137 -18.6623 1.00000
138 -18.6156 1.00000
139 -18.5752 1.00000
140 -18.5561 1.00000
141 -18.4787 1.00000
142 -18.4710 1.00000
143 -18.4256 1.00000
144 -18.4179 1.00000
145 -18.3143 1.00000
146 -18.3051 1.00000
147 -18.2910 1.00000
148 -18.2724 1.00000
149 -18.2412 1.00000
150 -18.2332 1.00000
151 -18.2132 1.00000
152 -18.2084 1.00000
153 -17.9652 1.00000
154 -17.9624 1.00000
155 -17.9169 1.00000
156 -17.9160 1.00000
157 -17.6166 1.00000
158 -17.5983 1.00000
159 -17.5641 1.00000
160 -17.5617 1.00000
161 -11.7027 1.00000
162 -11.6572 1.00000
163 -11.5301 1.00000
164 -11.5142 1.00000
165 -11.2703 1.00000
166 -11.2555 1.00000
167 -11.1483 1.00000
168 -11.1032 1.00000
169 -10.6548 1.00000
170 -10.5878 1.00000
171 -10.5642 1.00000
172 -10.5056 1.00000
173 -10.1709 1.00000
174 -10.1483 1.00000
175 -10.0382 1.00000
176 -9.9786 1.00000
177 -7.4533 1.00000
178 -7.3499 1.00000
179 -7.3178 1.00000
180 -7.2515 1.00000
181 -7.2000 1.00000
182 -7.1785 1.00000
183 -7.0834 1.00000
184 -7.0812 1.00000
185 -7.0527 1.00000
186 -6.9912 1.00000
187 -6.9639 1.00000
188 -6.9018 1.00000
189 -6.8924 1.00000
190 -6.8841 1.00000
191 -6.7694 1.00000
192 -6.6599 1.00000
193 -6.6090 1.00000
194 -6.5876 1.00000
195 -6.5425 1.00000
196 -6.4608 1.00000
197 -6.3715 1.00000
198 -6.3614 1.00000
199 -6.3288 1.00000
200 -6.2705 1.00000
201 -6.2705 1.00000
202 -6.1729 1.00000
203 -6.1584 1.00000
204 -6.1484 1.00000
205 -6.0913 1.00000
206 -6.0345 1.00000
207 -6.0078 1.00000
208 -6.0050 1.00000
209 -5.9907 1.00000
210 -5.9687 1.00000
211 -5.9143 1.00000
212 -5.8697 1.00000
213 -5.8499 1.00000
214 -5.8440 1.00000
215 -5.7299 1.00000
216 -5.6799 1.00000
217 -5.6695 1.00000
218 -5.6382 1.00000
219 -5.5618 1.00000
220 -5.5519 1.00000
221 -5.4976 1.00000
222 -5.4393 1.00000
223 -5.4292 1.00000
224 -5.3531 1.00000
225 -5.2839 1.00000
226 -5.2005 1.00000
227 -5.1413 1.00000
228 -5.1316 1.00000
229 -4.9539 1.00000
230 -4.9063 1.00000
231 -4.8867 1.00000
232 -4.8725 1.00000
233 -4.8602 1.00000
234 -4.7806 1.00000
235 -4.7665 1.00000
236 -4.6825 1.00000
237 -4.6800 1.00000
238 -4.6176 1.00000
239 -4.5923 1.00000
240 -4.5887 1.00000
241 -4.4941 1.00000
242 -4.4744 1.00000
243 -4.3736 1.00000
244 -4.3710 1.00000
245 -4.3234 1.00000
246 -4.2418 1.00000
247 -4.2400 1.00000
248 -4.2310 1.00000
249 -4.1084 1.00000
250 -4.1065 1.00000
251 -4.0489 1.00000
252 -4.0452 1.00000
253 -3.9525 1.00000
254 -3.9392 1.00000
255 -3.9071 1.00000
256 -3.8352 1.00000
257 -3.8253 1.00000
258 -3.8239 1.00000
259 -3.8205 1.00000
260 -3.7337 1.00000
261 -3.6559 1.00000
262 -3.6436 1.00000
263 -3.6351 1.00000
264 -3.5881 1.00000
265 -3.5348 1.00000
266 -3.5310 1.00000
267 -3.4868 1.00000
268 -3.4823 1.00000
269 -3.4644 1.00000
270 -3.4418 1.00000
271 -3.4258 1.00000
272 -3.3509 1.00000
273 -3.3501 1.00000
274 -3.2857 1.00000
275 -3.2784 1.00000
276 -3.2414 1.00000
277 -3.2075 1.00000
278 -3.1985 1.00000
279 -3.1899 1.00000
280 -3.1225 1.00000
281 -3.1038 1.00000
282 -3.0936 1.00000
283 -3.0818 1.00000
284 -3.0322 1.00000
285 -2.9864 1.00000
286 -2.9645 1.00000
287 -2.9579 1.00000
288 -2.9081 1.00000
289 -2.8864 1.00000
290 -2.8738 1.00000
291 -2.8325 1.00000
292 -2.8199 1.00000
293 -2.7902 1.00000
294 -2.7880 1.00000
295 -2.7548 1.00000
296 -2.7467 1.00000
297 -2.7323 1.00000
298 -2.7095 1.00000
299 -2.6825 1.00000
300 -2.6819 1.00000
301 -2.6493 1.00000
302 -2.6421 1.00000
303 -2.6364 1.00000
304 -2.5542 1.00000
305 -2.5042 1.00000
306 -2.4720 1.00000
307 -2.4664 1.00000
308 -2.4487 1.00000
309 -2.4056 1.00000
310 -2.3316 1.00000
311 -2.3145 1.00000
312 -2.3102 1.00000
313 -2.3053 1.00000
314 -2.2976 1.00000
315 -2.1965 1.00000
316 -2.1862 1.00000
317 -2.1609 1.00000
318 -2.0803 1.00000
319 -2.0666 1.00000
320 -1.9704 1.00000
321 0.7252 0.00000
322 0.8916 0.00000
323 0.9183 0.00000
324 0.9805 0.00000
325 1.0362 0.00000
326 1.0907 0.00000
327 1.1102 0.00000
328 1.1163 0.00000
329 1.2076 0.00000
330 1.3178 0.00000
331 1.3444 0.00000
332 1.3658 0.00000
333 1.3759 0.00000
334 1.4165 0.00000
335 1.5127 0.00000
336 1.5630 0.00000
337 1.5792 0.00000
338 1.6633 0.00000
339 1.6721 0.00000
340 1.7805 0.00000
341 1.8165 0.00000
342 1.8265 0.00000
343 1.9510 0.00000
344 1.9737 0.00000
345 2.0506 0.00000
346 2.0671 0.00000
347 2.1288 0.00000
348 2.1459 0.00000
349 2.1587 0.00000
350 2.1741 0.00000
351 2.2727 0.00000
352 2.3553 0.00000
353 2.3723 0.00000
354 2.5387 0.00000
355 2.5755 0.00000
356 2.6785 0.00000
357 2.7465 0.00000
358 2.7728 0.00000
359 2.8629 0.00000
360 2.9061 0.00000
361 2.9346 0.00000
362 3.0033 0.00000
363 3.0395 0.00000
364 3.1836 0.00000
365 3.1895 0.00000
366 3.2561 0.00000
367 3.3802 0.00000
368 3.3839 0.00000
369 3.5141 0.00000
370 3.5539 0.00000
371 3.5729 0.00000
372 3.6566 0.00000
373 3.7056 0.00000
374 3.7731 0.00000
375 3.7778 0.00000
376 3.8688 0.00000
377 3.8746 0.00000
378 3.8919 0.00000
379 4.0815 0.00000
380 4.0899 0.00000
381 4.0914 0.00000
382 4.1225 0.00000
383 4.1523 0.00000
384 4.2285 0.00000
385 4.2556 0.00000
386 4.3345 0.00000
387 4.3588 0.00000
388 4.3815 0.00000
389 4.4957 0.00000
390 4.5184 0.00000
391 4.5448 0.00000
392 4.6433 0.00000
393 4.6785 0.00000
394 4.7458 0.00000
395 4.7768 0.00000
396 4.7891 0.00000
397 4.8197 0.00000
398 4.8272 0.00000
399 4.8851 0.00000
400 4.8960 0.00000
401 4.9439 0.00000
402 5.0167 0.00000
403 5.0275 0.00000
404 5.0634 0.00000
405 5.0926 0.00000
406 5.1518 0.00000
407 5.1625 0.00000
408 5.2788 0.00000
409 5.3050 0.00000
410 5.3382 0.00000
411 5.4128 0.00000
412 5.4233 0.00000
413 5.4833 0.00000
414 5.5016 0.00000
415 5.5413 0.00000
416 5.5861 0.00000
417 5.6880 0.00000
418 5.6945 0.00000
419 5.7501 0.00000
420 5.7650 0.00000
421 5.8224 0.00000
422 5.9001 0.00000
423 5.9391 0.00000
424 5.9832 0.00000
425 6.0908 0.00000
426 6.1071 0.00000
427 6.1313 0.00000
428 6.1448 0.00000
429 6.2134 0.00000
430 6.3466 0.00000
431 6.4113 0.00000
432 6.4147 0.00000
433 6.4803 0.00000
434 6.5895 0.00000
435 6.6678 0.00000
436 6.6867 0.00000
437 6.8701 0.00000
438 7.0154 0.00000
439 7.0589 0.00000
440 7.0615 0.00000
441 7.0979 0.00000
442 7.1086 0.00000
443 7.1518 0.00000
444 7.1541 0.00000
445 7.2439 0.00000
446 7.2792 0.00000
447 7.2912 0.00000
448 7.3634 0.00000
449 7.5517 0.00000
450 7.6281 0.00000
451 7.6390 0.00000
452 7.6710 0.00000
453 7.7261 0.00000
454 7.7750 0.00000
455 7.8049 0.00000
456 7.8624 0.00000
457 7.9340 0.00000
458 8.0366 0.00000
459 8.0781 0.00000
460 8.2271 0.00000
461 8.3092 0.00000
462 8.3304 0.00000
463 8.3792 0.00000
464 8.4098 0.00000
465 8.4214 0.00000
466 8.5099 0.00000
467 8.5359 0.00000
468 8.6875 0.00000
469 8.8036 0.00000
470 8.8144 0.00000
471 8.8477 0.00000
472 9.0360 0.00000
473 9.1068 0.00000
474 9.2186 0.00000
475 9.4925 0.00000
476 9.5444 0.00000
477 9.5626 0.00000
478 9.9101 0.00000
479 10.1825 0.00000
480 10.7492 0.00000
k-point 17 : 0.5000 0.2500 0.5000
band No. band energies occupation
1 -76.3980 1.00000
2 -76.3977 1.00000
3 -76.3970 1.00000
4 -76.3966 1.00000
5 -76.3926 1.00000
6 -76.3924 1.00000
7 -76.3913 1.00000
8 -76.3910 1.00000
9 -40.7490 1.00000
10 -40.7483 1.00000
11 -40.7474 1.00000
12 -40.7461 1.00000
13 -40.7421 1.00000
14 -40.7417 1.00000
15 -40.7394 1.00000
16 -40.7389 1.00000
17 -40.7280 1.00000
18 -40.7248 1.00000
19 -40.7228 1.00000
20 -40.7199 1.00000
21 -40.7163 1.00000
22 -40.7155 1.00000
23 -40.7130 1.00000
24 -40.7106 1.00000
25 -40.6667 1.00000
26 -40.6631 1.00000
27 -40.6599 1.00000
28 -40.6586 1.00000
29 -40.6561 1.00000
30 -40.6557 1.00000
31 -40.6516 1.00000
32 -40.6489 1.00000
33 -24.0150 1.00000
34 -24.0146 1.00000
35 -24.0033 1.00000
36 -24.0030 1.00000
37 -24.0029 1.00000
38 -24.0005 1.00000
39 -23.9963 1.00000
40 -23.9959 1.00000
41 -23.9947 1.00000
42 -23.9944 1.00000
43 -23.9884 1.00000
44 -23.9868 1.00000
45 -23.9816 1.00000
46 -23.9785 1.00000
47 -23.9785 1.00000
48 -23.9765 1.00000
49 -23.8787 1.00000
50 -23.8783 1.00000
51 -23.8581 1.00000
52 -23.8547 1.00000
53 -23.8400 1.00000
54 -23.8396 1.00000
55 -23.8238 1.00000
56 -23.8207 1.00000
57 -23.7923 1.00000
58 -23.7919 1.00000
59 -23.7887 1.00000
60 -23.7883 1.00000
61 -23.7827 1.00000
62 -23.7822 1.00000
63 -23.7789 1.00000
64 -23.7787 1.00000
65 -23.7786 1.00000
66 -23.7758 1.00000
67 -23.7709 1.00000
68 -23.7689 1.00000
69 -23.7639 1.00000
70 -23.7635 1.00000
71 -23.7619 1.00000
72 -23.7609 1.00000
73 -23.7578 1.00000
74 -23.7573 1.00000
75 -23.7411 1.00000
76 -23.7408 1.00000
77 -23.7342 1.00000
78 -23.7313 1.00000
79 -23.7239 1.00000
80 -23.7213 1.00000
81 -23.7199 1.00000
82 -23.7199 1.00000
83 -23.7195 1.00000
84 -23.7194 1.00000
85 -23.7152 1.00000
86 -23.7139 1.00000
87 -23.7137 1.00000
88 -23.7134 1.00000
89 -23.7098 1.00000
90 -23.7090 1.00000
91 -23.7084 1.00000
92 -23.7064 1.00000
93 -23.6835 1.00000
94 -23.6831 1.00000
95 -23.6824 1.00000
96 -23.6796 1.00000
97 -23.6308 1.00000
98 -23.6291 1.00000
99 -23.6287 1.00000
100 -23.6281 1.00000
101 -23.6156 1.00000
102 -23.6152 1.00000
103 -23.6150 1.00000
104 -23.6123 1.00000
105 -23.5952 1.00000
106 -23.5949 1.00000
107 -23.5917 1.00000
108 -23.5890 1.00000
109 -23.5786 1.00000
110 -23.5783 1.00000
111 -23.5732 1.00000
112 -23.5704 1.00000
113 -20.1413 1.00000
114 -20.1335 1.00000
115 -19.8864 1.00000
116 -19.8787 1.00000
117 -19.5449 1.00000
118 -19.5403 1.00000
119 -19.5382 1.00000
120 -19.5342 1.00000
121 -19.3293 1.00000
122 -19.3278 1.00000
123 -19.2664 1.00000
124 -19.2633 1.00000
125 -19.2573 1.00000
126 -19.2501 1.00000
127 -19.1400 1.00000
128 -19.1354 1.00000
129 -18.8906 1.00000
130 -18.8881 1.00000
131 -18.8229 1.00000
132 -18.8218 1.00000
133 -18.8196 1.00000
134 -18.8172 1.00000
135 -18.7707 1.00000
136 -18.7685 1.00000
137 -18.6353 1.00000
138 -18.6319 1.00000
139 -18.5649 1.00000
140 -18.5648 1.00000
141 -18.4698 1.00000
142 -18.4687 1.00000
143 -18.4252 1.00000
144 -18.4244 1.00000
145 -18.2969 1.00000
146 -18.2960 1.00000
147 -18.2953 1.00000
148 -18.2942 1.00000
149 -18.2403 1.00000
150 -18.2385 1.00000
151 -18.2084 1.00000
152 -18.2070 1.00000
153 -17.9644 1.00000
154 -17.9619 1.00000
155 -17.9173 1.00000
156 -17.9166 1.00000
157 -17.6081 1.00000
158 -17.6058 1.00000
159 -17.5632 1.00000
160 -17.5626 1.00000
161 -11.6169 1.00000
162 -11.6165 1.00000
163 -11.5936 1.00000
164 -11.5904 1.00000
165 -11.2128 1.00000
166 -11.2095 1.00000
167 -11.1820 1.00000
168 -11.1816 1.00000
169 -10.6221 1.00000
170 -10.6180 1.00000
171 -10.5343 1.00000
172 -10.5340 1.00000
173 -10.1560 1.00000
174 -10.1511 1.00000
175 -10.0080 1.00000
176 -10.0074 1.00000
177 -7.4007 1.00000
178 -7.3943 1.00000
179 -7.3013 1.00000
180 -7.2973 1.00000
181 -7.1579 1.00000
182 -7.1557 1.00000
183 -7.0784 1.00000
184 -7.0781 1.00000
185 -6.9970 1.00000
186 -6.9934 1.00000
187 -6.9372 1.00000
188 -6.9326 1.00000
189 -6.8635 1.00000
190 -6.8615 1.00000
191 -6.7716 1.00000
192 -6.7700 1.00000
193 -6.5843 1.00000
194 -6.5829 1.00000
195 -6.4803 1.00000
196 -6.4746 1.00000
197 -6.4443 1.00000
198 -6.4420 1.00000
199 -6.3259 1.00000
200 -6.3230 1.00000
201 -6.1653 1.00000
202 -6.1642 1.00000
203 -6.1486 1.00000
204 -6.1452 1.00000
205 -6.1010 1.00000
206 -6.0993 1.00000
207 -6.0759 1.00000
208 -6.0751 1.00000
209 -5.9083 1.00000
210 -5.9074 1.00000
211 -5.8725 1.00000
212 -5.8703 1.00000
213 -5.7698 1.00000
214 -5.7690 1.00000
215 -5.7684 1.00000
216 -5.7679 1.00000
217 -5.6861 1.00000
218 -5.6847 1.00000
219 -5.6168 1.00000
220 -5.6162 1.00000
221 -5.4639 1.00000
222 -5.4628 1.00000
223 -5.3745 1.00000
224 -5.3734 1.00000
225 -5.3301 1.00000
226 -5.3274 1.00000
227 -4.9945 1.00000
228 -4.9928 1.00000
229 -4.9921 1.00000
230 -4.9918 1.00000
231 -4.9022 1.00000
232 -4.9007 1.00000
233 -4.8511 1.00000
234 -4.8507 1.00000
235 -4.6925 1.00000
236 -4.6918 1.00000
237 -4.6730 1.00000
238 -4.6719 1.00000
239 -4.4697 1.00000
240 -4.4648 1.00000
241 -4.4609 1.00000
242 -4.4600 1.00000
243 -4.3639 1.00000
244 -4.3614 1.00000
245 -4.3054 1.00000
246 -4.3041 1.00000
247 -4.1926 1.00000
248 -4.1922 1.00000
249 -4.1691 1.00000
250 -4.1668 1.00000
251 -4.0504 1.00000
252 -4.0485 1.00000
253 -3.9788 1.00000
254 -3.9776 1.00000
255 -3.8339 1.00000
256 -3.8332 1.00000
257 -3.8033 1.00000
258 -3.8024 1.00000
259 -3.7348 1.00000
260 -3.7344 1.00000
261 -3.6787 1.00000
262 -3.6771 1.00000
263 -3.5852 1.00000
264 -3.5830 1.00000
265 -3.5369 1.00000
266 -3.5364 1.00000
267 -3.4928 1.00000
268 -3.4916 1.00000
269 -3.3929 1.00000
270 -3.3924 1.00000
271 -3.3723 1.00000
272 -3.3710 1.00000
273 -3.3109 1.00000
274 -3.3108 1.00000
275 -3.2790 1.00000
276 -3.2765 1.00000
277 -3.2311 1.00000
278 -3.2302 1.00000
279 -3.1289 1.00000
280 -3.1225 1.00000
281 -3.0783 1.00000
282 -3.0764 1.00000
283 -3.0367 1.00000
284 -3.0357 1.00000
285 -2.9904 1.00000
286 -2.9888 1.00000
287 -2.9186 1.00000
288 -2.9170 1.00000
289 -2.9163 1.00000
290 -2.9147 1.00000
291 -2.8398 1.00000
292 -2.8392 1.00000
293 -2.8016 1.00000
294 -2.8002 1.00000
295 -2.7699 1.00000
296 -2.7687 1.00000
297 -2.7380 1.00000
298 -2.7374 1.00000
299 -2.7058 1.00000
300 -2.7052 1.00000
301 -2.6825 1.00000
302 -2.6813 1.00000
303 -2.5581 1.00000
304 -2.5576 1.00000
305 -2.5118 1.00000
306 -2.5109 1.00000
307 -2.4982 1.00000
308 -2.4957 1.00000
309 -2.4453 1.00000
310 -2.4446 1.00000
311 -2.3095 1.00000
312 -2.3067 1.00000
313 -2.2502 1.00000
314 -2.2492 1.00000
315 -2.2353 1.00000
316 -2.2345 1.00000
317 -2.0943 1.00000
318 -2.0929 1.00000
319 -2.0242 1.00000
320 -2.0235 1.00000
321 0.8486 0.00000
322 0.8496 0.00000
323 0.9876 0.00000
324 0.9916 0.00000
325 1.0921 0.00000
326 1.0963 0.00000
327 1.1368 0.00000
328 1.1406 0.00000
329 1.2535 0.00000
330 1.2542 0.00000
331 1.2625 0.00000
332 1.2629 0.00000
333 1.4661 0.00000
334 1.4675 0.00000
335 1.5729 0.00000
336 1.5734 0.00000
337 1.5985 0.00000
338 1.5999 0.00000
339 1.7488 0.00000
340 1.7503 0.00000
341 1.7745 0.00000
342 1.7763 0.00000
343 1.9297 0.00000
344 1.9319 0.00000
345 2.0229 0.00000
346 2.0235 0.00000
347 2.1332 0.00000
348 2.1340 0.00000
349 2.1516 0.00000
350 2.1526 0.00000
351 2.2210 0.00000
352 2.2226 0.00000
353 2.4553 0.00000
354 2.4569 0.00000
355 2.7028 0.00000
356 2.7031 0.00000
357 2.7320 0.00000
358 2.7328 0.00000
359 2.7662 0.00000
360 2.7678 0.00000
361 3.0289 0.00000
362 3.0306 0.00000
363 3.1933 0.00000
364 3.1946 0.00000
365 3.2029 0.00000
366 3.2038 0.00000
367 3.4170 0.00000
368 3.4176 0.00000
369 3.5995 0.00000
370 3.6007 0.00000
371 3.6692 0.00000
372 3.6703 0.00000
373 3.7645 0.00000
374 3.7654 0.00000
375 3.7663 0.00000
376 3.7671 0.00000
377 3.9187 0.00000
378 3.9189 0.00000
379 4.1009 0.00000
380 4.1014 0.00000
381 4.1228 0.00000
382 4.1236 0.00000
383 4.2126 0.00000
384 4.2129 0.00000
385 4.3427 0.00000
386 4.3432 0.00000
387 4.4187 0.00000
388 4.4197 0.00000
389 4.4432 0.00000
390 4.4441 0.00000
391 4.5287 0.00000
392 4.5289 0.00000
393 4.6718 0.00000
394 4.6726 0.00000
395 4.7370 0.00000
396 4.7376 0.00000
397 4.8268 0.00000
398 4.8278 0.00000
399 4.8821 0.00000
400 4.8830 0.00000
401 4.9637 0.00000
402 4.9641 0.00000
403 5.0010 0.00000
404 5.0026 0.00000
405 5.0515 0.00000
406 5.0520 0.00000
407 5.1693 0.00000
408 5.1697 0.00000
409 5.3095 0.00000
410 5.3108 0.00000
411 5.4163 0.00000
412 5.4169 0.00000
413 5.5241 0.00000
414 5.5243 0.00000
415 5.6024 0.00000
416 5.6038 0.00000
417 5.6870 0.00000
418 5.6872 0.00000
419 5.7383 0.00000
420 5.7402 0.00000
421 5.8950 0.00000
422 5.8952 0.00000
423 5.9922 0.00000
424 5.9961 0.00000
425 6.0790 0.00000
426 6.0799 0.00000
427 6.3473 0.00000
428 6.3478 0.00000
429 6.4297 0.00000
430 6.4298 0.00000
431 6.5160 0.00000
432 6.5162 0.00000
433 6.5823 0.00000
434 6.5823 0.00000
435 6.7885 0.00000
436 6.7908 0.00000
437 6.9456 0.00000
438 6.9459 0.00000
439 6.9542 0.00000
440 6.9542 0.00000
441 7.0282 0.00000
442 7.0284 0.00000
443 7.0976 0.00000
444 7.0976 0.00000
445 7.1622 0.00000
446 7.1647 0.00000
447 7.3974 0.00000
448 7.3979 0.00000
449 7.4520 0.00000
450 7.4521 0.00000
451 7.5118 0.00000
452 7.5119 0.00000
453 7.5256 0.00000
454 7.5259 0.00000
455 7.7033 0.00000
456 7.7040 0.00000
457 7.9707 0.00000
458 8.0072 0.00000
459 8.0079 0.00000
460 8.0147 0.00000
461 8.1538 0.00000
462 8.1663 0.00000
463 8.1954 0.00000
464 8.1961 0.00000
465 8.2561 0.00000
466 8.3251 0.00000
467 8.3568 0.00000
468 8.3592 0.00000
469 8.5824 0.00000
470 8.5963 0.00000
471 8.6009 0.00000
472 8.6944 0.00000
473 8.7132 0.00000
474 8.7616 0.00000
475 8.8262 0.00000
476 8.8316 0.00000
477 8.9535 0.00000
478 8.9657 0.00000
479 9.0867 0.00000
480 9.1767 0.00000
k-point 18 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 -76.3978 1.00000
2 -76.3978 1.00000
3 -76.3968 1.00000
4 -76.3968 1.00000
5 -76.3925 1.00000
6 -76.3925 1.00000
7 -76.3911 1.00000
8 -76.3911 1.00000
9 -40.7474 1.00000
10 -40.7474 1.00000
11 -40.7463 1.00000
12 -40.7463 1.00000
13 -40.7422 1.00000
14 -40.7422 1.00000
15 -40.7416 1.00000
16 -40.7416 1.00000
17 -40.7258 1.00000
18 -40.7258 1.00000
19 -40.7204 1.00000
20 -40.7204 1.00000
21 -40.7167 1.00000
22 -40.7167 1.00000
23 -40.7114 1.00000
24 -40.7114 1.00000
25 -40.6652 1.00000
26 -40.6652 1.00000
27 -40.6582 1.00000
28 -40.6582 1.00000
29 -40.6569 1.00000
30 -40.6569 1.00000
31 -40.6500 1.00000
32 -40.6500 1.00000
33 -24.0104 1.00000
34 -24.0104 1.00000
35 -24.0053 1.00000
36 -24.0053 1.00000
37 -23.9970 1.00000
38 -23.9970 1.00000
39 -23.9968 1.00000
40 -23.9968 1.00000
41 -23.9957 1.00000
42 -23.9957 1.00000
43 -23.9902 1.00000
44 -23.9902 1.00000
45 -23.9816 1.00000
46 -23.9816 1.00000
47 -23.9782 1.00000
48 -23.9782 1.00000
49 -23.8664 1.00000
50 -23.8664 1.00000
51 -23.8611 1.00000
52 -23.8611 1.00000
53 -23.8463 1.00000
54 -23.8463 1.00000
55 -23.8407 1.00000
56 -23.8407 1.00000
57 -23.7874 1.00000
58 -23.7874 1.00000
59 -23.7863 1.00000
60 -23.7863 1.00000
61 -23.7849 1.00000
62 -23.7849 1.00000
63 -23.7808 1.00000
64 -23.7808 1.00000
65 -23.7722 1.00000
66 -23.7722 1.00000
67 -23.7687 1.00000
68 -23.7687 1.00000
69 -23.7652 1.00000
70 -23.7652 1.00000
71 -23.7643 1.00000
72 -23.7643 1.00000
73 -23.7454 1.00000
74 -23.7454 1.00000
75 -23.7436 1.00000
76 -23.7436 1.00000
77 -23.7241 1.00000
78 -23.7241 1.00000
79 -23.7210 1.00000
80 -23.7210 1.00000
81 -23.7187 1.00000
82 -23.7187 1.00000
83 -23.7177 1.00000
84 -23.7177 1.00000
85 -23.7123 1.00000
86 -23.7123 1.00000
87 -23.7067 1.00000
88 -23.7067 1.00000
89 -23.7035 1.00000
90 -23.7035 1.00000
91 -23.7022 1.00000
92 -23.7022 1.00000
93 -23.6971 1.00000
94 -23.6971 1.00000
95 -23.6966 1.00000
96 -23.6966 1.00000
97 -23.6287 1.00000
98 -23.6287 1.00000
99 -23.6282 1.00000
100 -23.6282 1.00000
101 -23.6172 1.00000
102 -23.6172 1.00000
103 -23.6154 1.00000
104 -23.6154 1.00000
105 -23.5923 1.00000
106 -23.5923 1.00000
107 -23.5880 1.00000
108 -23.5880 1.00000
109 -23.5804 1.00000
110 -23.5804 1.00000
111 -23.5734 1.00000
112 -23.5734 1.00000
113 -20.1443 1.00000
114 -20.1443 1.00000
115 -19.8479 1.00000
116 -19.8479 1.00000
117 -19.6515 1.00000
118 -19.6515 1.00000
119 -19.4451 1.00000
120 -19.4451 1.00000
121 -19.2890 1.00000
122 -19.2890 1.00000
123 -19.2635 1.00000
124 -19.2635 1.00000
125 -19.2523 1.00000
126 -19.2523 1.00000
127 -19.1860 1.00000
128 -19.1860 1.00000
129 -18.9009 1.00000
130 -18.9009 1.00000
131 -18.8695 1.00000
132 -18.8695 1.00000
133 -18.8127 1.00000
134 -18.8127 1.00000
135 -18.6745 1.00000
136 -18.6745 1.00000
137 -18.6214 1.00000
138 -18.6214 1.00000
139 -18.5620 1.00000
140 -18.5620 1.00000
141 -18.5264 1.00000
142 -18.5264 1.00000
143 -18.5154 1.00000
144 -18.5154 1.00000
145 -18.2756 1.00000
146 -18.2756 1.00000
147 -18.2733 1.00000
148 -18.2733 1.00000
149 -18.2654 1.00000
150 -18.2654 1.00000
151 -18.2414 1.00000
152 -18.2414 1.00000
153 -17.7677 1.00000
154 -17.7677 1.00000
155 -17.7471 1.00000
156 -17.7471 1.00000
157 -17.7172 1.00000
158 -17.7172 1.00000
159 -17.7166 1.00000
160 -17.7166 1.00000
161 -11.5578 1.00000
162 -11.5578 1.00000
163 -11.5301 1.00000
164 -11.5301 1.00000
165 -11.3470 1.00000
166 -11.3470 1.00000
167 -11.3094 1.00000
168 -11.3094 1.00000
169 -10.3681 1.00000
170 -10.3681 1.00000
171 -10.3391 1.00000
172 -10.3391 1.00000
173 -10.2345 1.00000
174 -10.2345 1.00000
175 -10.2285 1.00000
176 -10.2285 1.00000
177 -7.3244 1.00000
178 -7.3244 1.00000
179 -7.2881 1.00000
180 -7.2881 1.00000
181 -7.1791 1.00000
182 -7.1791 1.00000
183 -7.1145 1.00000
184 -7.1145 1.00000
185 -7.0512 1.00000
186 -7.0512 1.00000
187 -6.9699 1.00000
188 -6.9699 1.00000
189 -6.9383 1.00000
190 -6.9383 1.00000
191 -6.8491 1.00000
192 -6.8491 1.00000
193 -6.5739 1.00000
194 -6.5739 1.00000
195 -6.4193 1.00000
196 -6.4193 1.00000
197 -6.2733 1.00000
198 -6.2733 1.00000
199 -6.2222 1.00000
200 -6.2222 1.00000
201 -6.2000 1.00000
202 -6.2000 1.00000
203 -6.1552 1.00000
204 -6.1552 1.00000
205 -6.1215 1.00000
206 -6.1215 1.00000
207 -6.0283 1.00000
208 -6.0283 1.00000
209 -6.0040 1.00000
210 -6.0040 1.00000
211 -5.8240 1.00000
212 -5.8240 1.00000
213 -5.7804 1.00000
214 -5.7804 1.00000
215 -5.7387 1.00000
216 -5.7387 1.00000
217 -5.7245 1.00000
218 -5.7245 1.00000
219 -5.5627 1.00000
220 -5.5627 1.00000
221 -5.4696 1.00000
222 -5.4696 1.00000
223 -5.4190 1.00000
224 -5.4190 1.00000
225 -5.3217 1.00000
226 -5.3217 1.00000
227 -4.9691 1.00000
228 -4.9691 1.00000
229 -4.8948 1.00000
230 -4.8948 1.00000
231 -4.8605 1.00000
232 -4.8605 1.00000
233 -4.7890 1.00000
234 -4.7890 1.00000
235 -4.7594 1.00000
236 -4.7594 1.00000
237 -4.6600 1.00000
238 -4.6600 1.00000
239 -4.6447 1.00000
240 -4.6447 1.00000
241 -4.4807 1.00000
242 -4.4807 1.00000
243 -4.3746 1.00000
244 -4.3746 1.00000
245 -4.2988 1.00000
246 -4.2988 1.00000
247 -4.1787 1.00000
248 -4.1787 1.00000
249 -4.1132 1.00000
250 -4.1132 1.00000
251 -4.0500 1.00000
252 -4.0500 1.00000
253 -3.9248 1.00000
254 -3.9248 1.00000
255 -3.9200 1.00000
256 -3.9200 1.00000
257 -3.8482 1.00000
258 -3.8482 1.00000
259 -3.7797 1.00000
260 -3.7797 1.00000
261 -3.7107 1.00000
262 -3.7107 1.00000
263 -3.6567 1.00000
264 -3.6567 1.00000
265 -3.6297 1.00000
266 -3.6297 1.00000
267 -3.5450 1.00000
268 -3.5450 1.00000
269 -3.4804 1.00000
270 -3.4804 1.00000
271 -3.3756 1.00000
272 -3.3756 1.00000
273 -3.3364 1.00000
274 -3.3364 1.00000
275 -3.2699 1.00000
276 -3.2699 1.00000
277 -3.1903 1.00000
278 -3.1903 1.00000
279 -3.1297 1.00000
280 -3.1297 1.00000
281 -3.1080 1.00000
282 -3.1080 1.00000
283 -3.0487 1.00000
284 -3.0487 1.00000
285 -3.0455 1.00000
286 -3.0455 1.00000
287 -2.8667 1.00000
288 -2.8667 1.00000
289 -2.8322 1.00000
290 -2.8322 1.00000
291 -2.8278 1.00000
292 -2.8278 1.00000
293 -2.8239 1.00000
294 -2.8239 1.00000
295 -2.7624 1.00000
296 -2.7624 1.00000
297 -2.6744 1.00000
298 -2.6744 1.00000
299 -2.6349 1.00000
300 -2.6349 1.00000
301 -2.5617 1.00000
302 -2.5617 1.00000
303 -2.5423 1.00000
304 -2.5423 1.00000
305 -2.5012 1.00000
306 -2.5012 1.00000
307 -2.4516 1.00000
308 -2.4516 1.00000
309 -2.2675 1.00000
310 -2.2675 1.00000
311 -2.2488 1.00000
312 -2.2488 1.00000
313 -2.2187 1.00000
314 -2.2187 1.00000
315 -2.2120 1.00000
316 -2.2120 1.00000
317 -2.1532 1.00000
318 -2.1532 1.00000
319 -2.1348 1.00000
320 -2.1348 1.00000
321 0.8335 0.00000
322 0.8335 0.00000
323 0.8602 0.00000
324 0.8602 0.00000
325 0.9855 0.00000
326 0.9855 0.00000
327 1.1171 0.00000
328 1.1171 0.00000
329 1.2587 0.00000
330 1.2587 0.00000
331 1.4248 0.00000
332 1.4248 0.00000
333 1.4343 0.00000
334 1.4343 0.00000
335 1.5035 0.00000
336 1.5035 0.00000
337 1.6062 0.00000
338 1.6062 0.00000
339 1.6158 0.00000
340 1.6158 0.00000
341 1.9176 0.00000
342 1.9176 0.00000
343 2.0048 0.00000
344 2.0048 0.00000
345 2.0145 0.00000
346 2.0145 0.00000
347 2.1220 0.00000
348 2.1220 0.00000
349 2.1669 0.00000
350 2.1669 0.00000
351 2.2472 0.00000
352 2.2472 0.00000
353 2.5354 0.00000
354 2.5354 0.00000
355 2.7426 0.00000
356 2.7426 0.00000
357 2.8824 0.00000
358 2.8824 0.00000
359 2.8883 0.00000
360 2.8883 0.00000
361 2.8921 0.00000
362 2.8921 0.00000
363 3.0279 0.00000
364 3.0279 0.00000
365 3.1493 0.00000
366 3.1493 0.00000
367 3.3324 0.00000
368 3.3324 0.00000
369 3.5374 0.00000
370 3.5374 0.00000
371 3.6691 0.00000
372 3.6691 0.00000
373 3.7423 0.00000
374 3.7423 0.00000
375 3.7519 0.00000
376 3.7519 0.00000
377 3.8588 0.00000
378 3.8588 0.00000
379 4.0746 0.00000
380 4.0746 0.00000
381 4.1302 0.00000
382 4.1302 0.00000
383 4.2108 0.00000
384 4.2108 0.00000
385 4.3224 0.00000
386 4.3224 0.00000
387 4.3428 0.00000
388 4.3428 0.00000
389 4.4053 0.00000
390 4.4053 0.00000
391 4.6943 0.00000
392 4.6943 0.00000
393 4.6985 0.00000
394 4.6985 0.00000
395 4.8055 0.00000
396 4.8055 0.00000
397 4.9590 0.00000
398 4.9590 0.00000
399 4.9992 0.00000
400 4.9992 0.00000
401 5.0660 0.00000
402 5.0660 0.00000
403 5.0684 0.00000
404 5.0684 0.00000
405 5.1505 0.00000
406 5.1505 0.00000
407 5.2497 0.00000
408 5.2498 0.00000
409 5.2855 0.00000
410 5.2855 0.00000
411 5.3182 0.00000
412 5.3182 0.00000
413 5.3904 0.00000
414 5.3904 0.00000
415 5.4139 0.00000
416 5.4139 0.00000
417 5.6608 0.00000
418 5.6608 0.00000
419 5.7847 0.00000
420 5.7847 0.00000
421 5.8400 0.00000
422 5.8400 0.00000
423 5.8860 0.00000
424 5.8860 0.00000
425 6.0012 0.00000
426 6.0012 0.00000
427 6.0206 0.00000
428 6.0206 0.00000
429 6.3770 0.00000
430 6.3770 0.00000
431 6.5008 0.00000
432 6.5008 0.00000
433 6.7875 0.00000
434 6.7875 0.00000
435 6.8237 0.00000
436 6.8237 0.00000
437 6.8406 0.00000
438 6.8406 0.00000
439 6.8667 0.00000
440 6.8667 0.00000
441 7.0861 0.00000
442 7.0861 0.00000
443 7.1184 0.00000
444 7.1184 0.00000
445 7.2159 0.00000
446 7.2164 0.00000
447 7.4182 0.00000
448 7.4206 0.00000
449 7.4712 0.00000
450 7.4713 0.00000
451 7.8404 0.00000
452 7.8411 0.00000
453 7.8518 0.00000
454 7.9062 0.00000
455 7.9331 0.00000
456 7.9452 0.00000
457 8.0117 0.00000
458 8.0167 0.00000
459 8.0716 0.00000
460 8.1306 0.00000
461 8.1350 0.00000
462 8.1464 0.00000
463 8.1653 0.00000
464 8.1661 0.00000
465 8.3094 0.00000
466 8.4078 0.00000
467 8.4354 0.00000
468 8.4690 0.00000
469 8.5001 0.00000
470 8.6194 0.00000
471 8.6707 0.00000
472 8.8043 0.00000
473 8.9327 0.00000
474 9.0077 0.00000
475 9.0386 0.00000
476 9.1780 0.00000
477 9.1939 0.00000
478 9.2957 0.00000
479 9.4262 0.00000
480 9.4531 0.00000
k-point 19 : 0.2500 0.5000 0.5000
band No. band energies occupation
1 -76.3978 1.00000
2 -76.3978 1.00000
3 -76.3968 1.00000
4 -76.3968 1.00000
5 -76.3925 1.00000
6 -76.3925 1.00000
7 -76.3911 1.00000
8 -76.3911 1.00000
9 -40.7484 1.00000
10 -40.7483 1.00000
11 -40.7472 1.00000
12 -40.7471 1.00000
13 -40.7413 1.00000
14 -40.7410 1.00000
15 -40.7401 1.00000
16 -40.7399 1.00000
17 -40.7260 1.00000
18 -40.7259 1.00000
19 -40.7218 1.00000
20 -40.7216 1.00000
21 -40.7161 1.00000
22 -40.7160 1.00000
23 -40.7114 1.00000
24 -40.7114 1.00000
25 -40.6652 1.00000
26 -40.6652 1.00000
27 -40.6585 1.00000
28 -40.6584 1.00000
29 -40.6566 1.00000
30 -40.6566 1.00000
31 -40.6500 1.00000
32 -40.6500 1.00000
33 -24.0105 1.00000
34 -24.0104 1.00000
35 -24.0070 1.00000
36 -24.0070 1.00000
37 -23.9968 1.00000
38 -23.9968 1.00000
39 -23.9959 1.00000
40 -23.9958 1.00000
41 -23.9948 1.00000
42 -23.9948 1.00000
43 -23.9921 1.00000
44 -23.9921 1.00000
45 -23.9803 1.00000
46 -23.9803 1.00000
47 -23.9773 1.00000
48 -23.9773 1.00000
49 -23.8658 1.00000
50 -23.8658 1.00000
51 -23.8621 1.00000
52 -23.8621 1.00000
53 -23.8461 1.00000
54 -23.8461 1.00000
55 -23.8415 1.00000
56 -23.8415 1.00000
57 -23.7874 1.00000
58 -23.7874 1.00000
59 -23.7869 1.00000
60 -23.7866 1.00000
61 -23.7842 1.00000
62 -23.7839 1.00000
63 -23.7814 1.00000
64 -23.7812 1.00000
65 -23.7717 1.00000
66 -23.7716 1.00000
67 -23.7693 1.00000
68 -23.7691 1.00000
69 -23.7653 1.00000
70 -23.7651 1.00000
71 -23.7642 1.00000
72 -23.7642 1.00000
73 -23.7451 1.00000
74 -23.7451 1.00000
75 -23.7438 1.00000
76 -23.7437 1.00000
77 -23.7236 1.00000
78 -23.7236 1.00000
79 -23.7206 1.00000
80 -23.7205 1.00000
81 -23.7190 1.00000
82 -23.7189 1.00000
83 -23.7188 1.00000
84 -23.7187 1.00000
85 -23.7113 1.00000
86 -23.7113 1.00000
87 -23.7071 1.00000
88 -23.7071 1.00000
89 -23.7026 1.00000
90 -23.7026 1.00000
91 -23.7015 1.00000
92 -23.7014 1.00000
93 -23.6978 1.00000
94 -23.6978 1.00000
95 -23.6974 1.00000
96 -23.6974 1.00000
97 -23.6273 1.00000
98 -23.6273 1.00000
99 -23.6269 1.00000
100 -23.6269 1.00000
101 -23.6194 1.00000
102 -23.6194 1.00000
103 -23.6180 1.00000
104 -23.6180 1.00000
105 -23.5900 1.00000
106 -23.5900 1.00000
107 -23.5852 1.00000
108 -23.5852 1.00000
109 -23.5818 1.00000
110 -23.5818 1.00000
111 -23.5750 1.00000
112 -23.5750 1.00000
113 -20.1162 1.00000
114 -20.1161 1.00000
115 -19.9246 1.00000
116 -19.9242 1.00000
117 -19.5860 1.00000
118 -19.5852 1.00000
119 -19.4583 1.00000
120 -19.4577 1.00000
121 -19.2842 1.00000
122 -19.2840 1.00000
123 -19.2628 1.00000
124 -19.2628 1.00000
125 -19.2547 1.00000
126 -19.2547 1.00000
127 -19.1946 1.00000
128 -19.1945 1.00000
129 -18.8972 1.00000
130 -18.8966 1.00000
131 -18.8393 1.00000
132 -18.8390 1.00000
133 -18.8246 1.00000
134 -18.8245 1.00000
135 -18.7196 1.00000
136 -18.7195 1.00000
137 -18.5938 1.00000
138 -18.5937 1.00000
139 -18.5578 1.00000
140 -18.5578 1.00000
141 -18.5318 1.00000
142 -18.5316 1.00000
143 -18.5202 1.00000
144 -18.5200 1.00000
145 -18.2728 1.00000
146 -18.2728 1.00000
147 -18.2711 1.00000
148 -18.2709 1.00000
149 -18.2647 1.00000
150 -18.2643 1.00000
151 -18.2460 1.00000
152 -18.2459 1.00000
153 -17.7643 1.00000
154 -17.7643 1.00000
155 -17.7494 1.00000
156 -17.7494 1.00000
157 -17.7175 1.00000
158 -17.7175 1.00000
159 -17.7169 1.00000
160 -17.7169 1.00000
161 -11.5260 1.00000
162 -11.5260 1.00000
163 -11.5042 1.00000
164 -11.5042 1.00000
165 -11.3766 1.00000
166 -11.3765 1.00000
167 -11.3495 1.00000
168 -11.3495 1.00000
169 -10.3607 1.00000
170 -10.3606 1.00000
171 -10.3386 1.00000
172 -10.3386 1.00000
173 -10.2326 1.00000
174 -10.2326 1.00000
175 -10.2280 1.00000
176 -10.2279 1.00000
177 -7.3520 1.00000
178 -7.3511 1.00000
179 -7.3453 1.00000
180 -7.3446 1.00000
181 -7.0743 1.00000
182 -7.0739 1.00000
183 -7.0713 1.00000
184 -7.0709 1.00000
185 -7.0190 1.00000
186 -7.0181 1.00000
187 -7.0121 1.00000
188 -7.0120 1.00000
189 -6.8416 1.00000
190 -6.8414 1.00000
191 -6.8341 1.00000
192 -6.8329 1.00000
193 -6.6116 1.00000
194 -6.6107 1.00000
195 -6.5225 1.00000
196 -6.5222 1.00000
197 -6.3840 1.00000
198 -6.3831 1.00000
199 -6.2667 1.00000
200 -6.2661 1.00000
201 -6.1739 1.00000
202 -6.1734 1.00000
203 -6.1408 1.00000
204 -6.1407 1.00000
205 -6.1209 1.00000
206 -6.1205 1.00000
207 -6.0575 1.00000
208 -6.0566 1.00000
209 -5.9585 1.00000
210 -5.9585 1.00000
211 -5.8203 1.00000
212 -5.8199 1.00000
213 -5.7897 1.00000
214 -5.7896 1.00000
215 -5.7409 1.00000
216 -5.7409 1.00000
217 -5.7231 1.00000
218 -5.7224 1.00000
219 -5.6121 1.00000
220 -5.6120 1.00000
221 -5.4240 1.00000
222 -5.4228 1.00000
223 -5.3879 1.00000
224 -5.3868 1.00000
225 -5.2179 1.00000
226 -5.2177 1.00000
227 -5.0520 1.00000
228 -5.0519 1.00000
229 -4.9865 1.00000
230 -4.9862 1.00000
231 -4.8419 1.00000
232 -4.8419 1.00000
233 -4.7609 1.00000
234 -4.7606 1.00000
235 -4.7446 1.00000
236 -4.7441 1.00000
237 -4.6443 1.00000
238 -4.6436 1.00000
239 -4.5720 1.00000
240 -4.5718 1.00000
241 -4.4182 1.00000
242 -4.4181 1.00000
243 -4.4140 1.00000
244 -4.4138 1.00000
245 -4.2607 1.00000
246 -4.2605 1.00000
247 -4.2534 1.00000
248 -4.2531 1.00000
249 -4.0963 1.00000
250 -4.0958 1.00000
251 -4.0680 1.00000
252 -4.0679 1.00000
253 -4.0278 1.00000
254 -4.0275 1.00000
255 -3.9396 1.00000
256 -3.9396 1.00000
257 -3.8766 1.00000
258 -3.8762 1.00000
259 -3.7410 1.00000
260 -3.7407 1.00000
261 -3.6376 1.00000
262 -3.6375 1.00000
263 -3.5830 1.00000
264 -3.5830 1.00000
265 -3.5600 1.00000
266 -3.5599 1.00000
267 -3.5183 1.00000
268 -3.5182 1.00000
269 -3.4247 1.00000
270 -3.4242 1.00000
271 -3.3807 1.00000
272 -3.3807 1.00000
273 -3.3205 1.00000
274 -3.3203 1.00000
275 -3.2965 1.00000
276 -3.2960 1.00000
277 -3.1777 1.00000
278 -3.1775 1.00000
279 -3.1542 1.00000
280 -3.1540 1.00000
281 -3.1350 1.00000
282 -3.1346 1.00000
283 -3.0542 1.00000
284 -3.0540 1.00000
285 -3.0414 1.00000
286 -3.0411 1.00000
287 -2.9026 1.00000
288 -2.9023 1.00000
289 -2.8862 1.00000
290 -2.8860 1.00000
291 -2.8262 1.00000
292 -2.8260 1.00000
293 -2.8125 1.00000
294 -2.8122 1.00000
295 -2.7415 1.00000
296 -2.7412 1.00000
297 -2.6725 1.00000
298 -2.6724 1.00000
299 -2.6040 1.00000
300 -2.6036 1.00000
301 -2.5896 1.00000
302 -2.5895 1.00000
303 -2.5626 1.00000
304 -2.5624 1.00000
305 -2.5613 1.00000
306 -2.5610 1.00000
307 -2.4402 1.00000
308 -2.4402 1.00000
309 -2.3596 1.00000
310 -2.3595 1.00000
311 -2.2770 1.00000
312 -2.2766 1.00000
313 -2.2235 1.00000
314 -2.2233 1.00000
315 -2.1873 1.00000
316 -2.1873 1.00000
317 -2.1692 1.00000
318 -2.1690 1.00000
319 -2.0899 1.00000
320 -2.0897 1.00000
321 0.8678 0.00000
322 0.8679 0.00000
323 0.8791 0.00000
324 0.8792 0.00000
325 1.0359 0.00000
326 1.0361 0.00000
327 1.1211 0.00000
328 1.1212 0.00000
329 1.2545 0.00000
330 1.2546 0.00000
331 1.3540 0.00000
332 1.3540 0.00000
333 1.4458 0.00000
334 1.4459 0.00000
335 1.5530 0.00000
336 1.5530 0.00000
337 1.6335 0.00000
338 1.6336 0.00000
339 1.6481 0.00000
340 1.6484 0.00000
341 1.8017 0.00000
342 1.8018 0.00000
343 1.9537 0.00000
344 1.9537 0.00000
345 2.0081 0.00000
346 2.0085 0.00000
347 2.1083 0.00000
348 2.1086 0.00000
349 2.1220 0.00000
350 2.1221 0.00000
351 2.2876 0.00000
352 2.2879 0.00000
353 2.6323 0.00000
354 2.6323 0.00000
355 2.6485 0.00000
356 2.6486 0.00000
357 2.7356 0.00000
358 2.7361 0.00000
359 2.8173 0.00000
360 2.8174 0.00000
361 2.9532 0.00000
362 2.9536 0.00000
363 3.1341 0.00000
364 3.1345 0.00000
365 3.3217 0.00000
366 3.3220 0.00000
367 3.4060 0.00000
368 3.4063 0.00000
369 3.5825 0.00000
370 3.5826 0.00000
371 3.6525 0.00000
372 3.6533 0.00000
373 3.6998 0.00000
374 3.7001 0.00000
375 3.8503 0.00000
376 3.8506 0.00000
377 3.8968 0.00000
378 3.8970 0.00000
379 3.9995 0.00000
380 3.9999 0.00000
381 4.0848 0.00000
382 4.0856 0.00000
383 4.2121 0.00000
384 4.2126 0.00000
385 4.3120 0.00000
386 4.3123 0.00000
387 4.4336 0.00000
388 4.4337 0.00000
389 4.4512 0.00000
390 4.4512 0.00000
391 4.5353 0.00000
392 4.5356 0.00000
393 4.6301 0.00000
394 4.6307 0.00000
395 4.7848 0.00000
396 4.7851 0.00000
397 4.7974 0.00000
398 4.7974 0.00000
399 4.8571 0.00000
400 4.8572 0.00000
401 4.9629 0.00000
402 4.9634 0.00000
403 5.0323 0.00000
404 5.0324 0.00000
405 5.0596 0.00000
406 5.0597 0.00000
407 5.2102 0.00000
408 5.2104 0.00000
409 5.3514 0.00000
410 5.3515 0.00000
411 5.3913 0.00000
412 5.3915 0.00000
413 5.5360 0.00000
414 5.5361 0.00000
415 5.6053 0.00000
416 5.6054 0.00000
417 5.7251 0.00000
418 5.7253 0.00000
419 5.8384 0.00000
420 5.8384 0.00000
421 5.9084 0.00000
422 5.9084 0.00000
423 5.9101 0.00000
424 5.9104 0.00000
425 6.1047 0.00000
426 6.1048 0.00000
427 6.3237 0.00000
428 6.3237 0.00000
429 6.4312 0.00000
430 6.4312 0.00000
431 6.5271 0.00000
432 6.5271 0.00000
433 6.5869 0.00000
434 6.5869 0.00000
435 6.8227 0.00000
436 6.8228 0.00000
437 6.9160 0.00000
438 6.9160 0.00000
439 6.9296 0.00000
440 6.9296 0.00000
441 6.9934 0.00000
442 6.9935 0.00000
443 7.1326 0.00000
444 7.1326 0.00000
445 7.1657 0.00000
446 7.1658 0.00000
447 7.3981 0.00000
448 7.3981 0.00000
449 7.4576 0.00000
450 7.4577 0.00000
451 7.5272 0.00000
452 7.5272 0.00000
453 7.5621 0.00000
454 7.5623 0.00000
455 7.7264 0.00000
456 7.7289 0.00000
457 7.9507 0.00000
458 7.9573 0.00000
459 7.9882 0.00000
460 7.9889 0.00000
461 8.1529 0.00000
462 8.1595 0.00000
463 8.1686 0.00000
464 8.1690 0.00000
465 8.2529 0.00000
466 8.2555 0.00000
467 8.4635 0.00000
468 8.4768 0.00000
469 8.4868 0.00000
470 8.5598 0.00000
471 8.5906 0.00000
472 8.7178 0.00000
473 8.7217 0.00000
474 8.8080 0.00000
475 8.8364 0.00000
476 8.8489 0.00000
477 8.8753 0.00000
478 8.9601 0.00000
479 9.0087 0.00000
480 9.0730 0.00000
k-point 20 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 -76.3978 1.00000
2 -76.3978 1.00000
3 -76.3968 1.00000
4 -76.3968 1.00000
5 -76.3925 1.00000
6 -76.3925 1.00000
7 -76.3911 1.00000
8 -76.3911 1.00000
9 -40.7489 1.00000
10 -40.7489 1.00000
11 -40.7479 1.00000
12 -40.7479 1.00000
13 -40.7396 1.00000
14 -40.7396 1.00000
15 -40.7392 1.00000
16 -40.7392 1.00000
17 -40.7261 1.00000
18 -40.7261 1.00000
19 -40.7230 1.00000
20 -40.7230 1.00000
21 -40.7156 1.00000
22 -40.7156 1.00000
23 -40.7114 1.00000
24 -40.7114 1.00000
25 -40.6652 1.00000
26 -40.6652 1.00000
27 -40.6586 1.00000
28 -40.6586 1.00000
29 -40.6564 1.00000
30 -40.6564 1.00000
31 -40.6499 1.00000
32 -40.6499 1.00000
33 -24.0096 1.00000
34 -24.0096 1.00000
35 -24.0093 1.00000
36 -24.0093 1.00000
37 -23.9963 1.00000
38 -23.9963 1.00000
39 -23.9947 1.00000
40 -23.9947 1.00000
41 -23.9943 1.00000
42 -23.9943 1.00000
43 -23.9940 1.00000
44 -23.9940 1.00000
45 -23.9792 1.00000
46 -23.9792 1.00000
47 -23.9766 1.00000
48 -23.9766 1.00000
49 -23.8644 1.00000
50 -23.8644 1.00000
51 -23.8639 1.00000
52 -23.8639 1.00000
53 -23.8457 1.00000
54 -23.8457 1.00000
55 -23.8424 1.00000
56 -23.8424 1.00000
57 -23.7874 1.00000
58 -23.7874 1.00000
59 -23.7870 1.00000
60 -23.7870 1.00000
61 -23.7827 1.00000
62 -23.7827 1.00000
63 -23.7824 1.00000
64 -23.7824 1.00000
65 -23.7709 1.00000
66 -23.7709 1.00000
67 -23.7699 1.00000
68 -23.7699 1.00000
69 -23.7653 1.00000
70 -23.7653 1.00000
71 -23.7641 1.00000
72 -23.7641 1.00000
73 -23.7445 1.00000
74 -23.7445 1.00000
75 -23.7441 1.00000
76 -23.7441 1.00000
77 -23.7227 1.00000
78 -23.7227 1.00000
79 -23.7201 1.00000
80 -23.7201 1.00000
81 -23.7198 1.00000
82 -23.7198 1.00000
83 -23.7194 1.00000
84 -23.7194 1.00000
85 -23.7102 1.00000
86 -23.7102 1.00000
87 -23.7076 1.00000
88 -23.7076 1.00000
89 -23.7014 1.00000
90 -23.7014 1.00000
91 -23.6998 1.00000
92 -23.6998 1.00000
93 -23.6994 1.00000
94 -23.6994 1.00000
95 -23.6986 1.00000
96 -23.6986 1.00000
97 -23.6245 1.00000
98 -23.6245 1.00000
99 -23.6238 1.00000
100 -23.6238 1.00000
101 -23.6234 1.00000
102 -23.6234 1.00000
103 -23.6218 1.00000
104 -23.6218 1.00000
105 -23.5857 1.00000
106 -23.5857 1.00000
107 -23.5854 1.00000
108 -23.5854 1.00000
109 -23.5810 1.00000
110 -23.5810 1.00000
111 -23.5783 1.00000
112 -23.5783 1.00000
113 -20.0403 1.00000
114 -20.0403 1.00000
115 -20.0325 1.00000
116 -20.0325 1.00000
117 -19.5050 1.00000
118 -19.5050 1.00000
119 -19.5012 1.00000
120 -19.5012 1.00000
121 -19.2821 1.00000
122 -19.2821 1.00000
123 -19.2716 1.00000
124 -19.2716 1.00000
125 -19.2252 1.00000
126 -19.2252 1.00000
127 -19.2241 1.00000
128 -19.2241 1.00000
129 -18.8617 1.00000
130 -18.8617 1.00000
131 -18.8596 1.00000
132 -18.8596 1.00000
133 -18.7858 1.00000
134 -18.7858 1.00000
135 -18.7844 1.00000
136 -18.7844 1.00000
137 -18.5661 1.00000
138 -18.5661 1.00000
139 -18.5629 1.00000
140 -18.5629 1.00000
141 -18.5316 1.00000
142 -18.5316 1.00000
143 -18.5313 1.00000
144 -18.5313 1.00000
145 -18.2715 1.00000
146 -18.2715 1.00000
147 -18.2671 1.00000
148 -18.2671 1.00000
149 -18.2589 1.00000
150 -18.2589 1.00000
151 -18.2558 1.00000
152 -18.2558 1.00000
153 -17.7576 1.00000
154 -17.7576 1.00000
155 -17.7551 1.00000
156 -17.7551 1.00000
157 -17.7178 1.00000
158 -17.7178 1.00000
159 -17.7172 1.00000
160 -17.7172 1.00000
161 -11.4489 1.00000
162 -11.4489 1.00000
163 -11.4476 1.00000
164 -11.4476 1.00000
165 -11.4368 1.00000
166 -11.4368 1.00000
167 -11.4348 1.00000
168 -11.4348 1.00000
169 -10.3481 1.00000
170 -10.3481 1.00000
171 -10.3436 1.00000
172 -10.3436 1.00000
173 -10.2292 1.00000
174 -10.2292 1.00000
175 -10.2287 1.00000
176 -10.2287 1.00000
177 -7.3725 1.00000
178 -7.3725 1.00000
179 -7.3678 1.00000
180 -7.3678 1.00000
181 -7.0645 1.00000
182 -7.0645 1.00000
183 -7.0617 1.00000
184 -7.0617 1.00000
185 -6.9660 1.00000
186 -6.9660 1.00000
187 -6.9620 1.00000
188 -6.9620 1.00000
189 -6.7518 1.00000
190 -6.7518 1.00000
191 -6.7490 1.00000
192 -6.7490 1.00000
193 -6.6208 1.00000
194 -6.6208 1.00000
195 -6.6194 1.00000
196 -6.6194 1.00000
197 -6.4685 1.00000
198 -6.4685 1.00000
199 -6.4674 1.00000
200 -6.4674 1.00000
201 -6.1301 1.00000
202 -6.1301 1.00000
203 -6.1293 1.00000
204 -6.1293 1.00000
205 -6.1158 1.00000
206 -6.1158 1.00000
207 -6.1143 1.00000
208 -6.1143 1.00000
209 -5.8904 1.00000
210 -5.8904 1.00000
211 -5.8895 1.00000
212 -5.8895 1.00000
213 -5.7798 1.00000
214 -5.7798 1.00000
215 -5.7782 1.00000
216 -5.7782 1.00000
217 -5.5711 1.00000
218 -5.5711 1.00000
219 -5.5691 1.00000
220 -5.5691 1.00000
221 -5.4459 1.00000
222 -5.4459 1.00000
223 -5.4444 1.00000
224 -5.4444 1.00000
225 -5.0838 1.00000
226 -5.0838 1.00000
227 -5.0821 1.00000
228 -5.0821 1.00000
229 -4.9598 1.00000
230 -4.9598 1.00000
231 -4.9584 1.00000
232 -4.9584 1.00000
233 -4.7944 1.00000
234 -4.7944 1.00000
235 -4.7931 1.00000
236 -4.7931 1.00000
237 -4.5582 1.00000
238 -4.5582 1.00000
239 -4.5567 1.00000
240 -4.5567 1.00000
241 -4.3867 1.00000
242 -4.3867 1.00000
243 -4.3855 1.00000
244 -4.3855 1.00000
245 -4.2780 1.00000
246 -4.2780 1.00000
247 -4.2761 1.00000
248 -4.2761 1.00000
249 -4.0823 1.00000
250 -4.0823 1.00000
251 -4.0811 1.00000
252 -4.0811 1.00000
253 -3.9903 1.00000
254 -3.9903 1.00000
255 -3.9890 1.00000
256 -3.9890 1.00000
257 -3.8123 1.00000
258 -3.8123 1.00000
259 -3.8118 1.00000
260 -3.8118 1.00000
261 -3.5801 1.00000
262 -3.5801 1.00000
263 -3.5766 1.00000
264 -3.5766 1.00000
265 -3.5192 1.00000
266 -3.5192 1.00000
267 -3.5181 1.00000
268 -3.5181 1.00000
269 -3.3885 1.00000
270 -3.3885 1.00000
271 -3.3876 1.00000
272 -3.3876 1.00000
273 -3.2696 1.00000
274 -3.2696 1.00000
275 -3.2682 1.00000
276 -3.2682 1.00000
277 -3.1837 1.00000
278 -3.1837 1.00000
279 -3.1791 1.00000
280 -3.1791 1.00000
281 -3.0764 1.00000
282 -3.0764 1.00000
283 -3.0757 1.00000
284 -3.0757 1.00000
285 -3.0020 1.00000
286 -3.0020 1.00000
287 -3.0008 1.00000
288 -3.0008 1.00000
289 -2.8778 1.00000
290 -2.8778 1.00000
291 -2.8771 1.00000
292 -2.8771 1.00000
293 -2.7867 1.00000
294 -2.7867 1.00000
295 -2.7862 1.00000
296 -2.7862 1.00000
297 -2.6619 1.00000
298 -2.6619 1.00000
299 -2.6611 1.00000
300 -2.6611 1.00000
301 -2.6008 1.00000
302 -2.6008 1.00000
303 -2.5986 1.00000
304 -2.5986 1.00000
305 -2.4881 1.00000
306 -2.4881 1.00000
307 -2.4877 1.00000
308 -2.4877 1.00000
309 -2.3698 1.00000
310 -2.3698 1.00000
311 -2.3687 1.00000
312 -2.3687 1.00000
313 -2.1732 1.00000
314 -2.1732 1.00000
315 -2.1703 1.00000
316 -2.1703 1.00000
317 -2.1401 1.00000
318 -2.1401 1.00000
319 -2.1385 1.00000
320 -2.1385 1.00000
321 0.9077 0.00000
322 0.9077 0.00000
323 0.9095 0.00000
324 0.9095 0.00000
325 1.1228 0.00000
326 1.1228 0.00000
327 1.1241 0.00000
328 1.1241 0.00000
329 1.2213 0.00000
330 1.2213 0.00000
331 1.2233 0.00000
332 1.2233 0.00000
333 1.5834 0.00000
334 1.5834 0.00000
335 1.5837 0.00000
336 1.5837 0.00000
337 1.6501 0.00000
338 1.6501 0.00000
339 1.6519 0.00000
340 1.6519 0.00000
341 1.7778 0.00000
342 1.7778 0.00000
343 1.7783 0.00000
344 1.7783 0.00000
345 2.0772 0.00000
346 2.0772 0.00000
347 2.0783 0.00000
348 2.0783 0.00000
349 2.1514 0.00000
350 2.1514 0.00000
351 2.1526 0.00000
352 2.1526 0.00000
353 2.6030 0.00000
354 2.6030 0.00000
355 2.6039 0.00000
356 2.6039 0.00000
357 2.7818 0.00000
358 2.7818 0.00000
359 2.7833 0.00000
360 2.7833 0.00000
361 3.1763 0.00000
362 3.1763 0.00000
363 3.1767 0.00000
364 3.1767 0.00000
365 3.3771 0.00000
366 3.3771 0.00000
367 3.3778 0.00000
368 3.3778 0.00000
369 3.5973 0.00000
370 3.5973 0.00000
371 3.5990 0.00000
372 3.5990 0.00000
373 3.7967 0.00000
374 3.7967 0.00000
375 3.7970 0.00000
376 3.7970 0.00000
377 3.9408 0.00000
378 3.9408 0.00000
379 3.9414 0.00000
380 3.9414 0.00000
381 4.2335 0.00000
382 4.2335 0.00000
383 4.2343 0.00000
384 4.2343 0.00000
385 4.3331 0.00000
386 4.3331 0.00000
387 4.3334 0.00000
388 4.3334 0.00000
389 4.4819 0.00000
390 4.4819 0.00000
391 4.4822 0.00000
392 4.4822 0.00000
393 4.5607 0.00000
394 4.5607 0.00000
395 4.5619 0.00000
396 4.5619 0.00000
397 4.7982 0.00000
398 4.7982 0.00000
399 4.7996 0.00000
400 4.7996 0.00000
401 4.9148 0.00000
402 4.9148 0.00000
403 4.9154 0.00000
404 4.9154 0.00000
405 5.2048 0.00000
406 5.2048 0.00000
407 5.2051 0.00000
408 5.2051 0.00000
409 5.3459 0.00000
410 5.3459 0.00000
411 5.3464 0.00000
412 5.3464 0.00000
413 5.5401 0.00000
414 5.5401 0.00000
415 5.5404 0.00000
416 5.5404 0.00000
417 5.9128 0.00000
418 5.9128 0.00000
419 5.9147 0.00000
420 5.9147 0.00000
421 5.9870 0.00000
422 5.9870 0.00000
423 5.9879 0.00000
424 5.9879 0.00000
425 6.4934 0.00000
426 6.4934 0.00000
427 6.4935 0.00000
428 6.4935 0.00000
429 6.5423 0.00000
430 6.5423 0.00000
431 6.5424 0.00000
432 6.5424 0.00000
433 6.7658 0.00000
434 6.7658 0.00000
435 6.7659 0.00000
436 6.7660 0.00000
437 6.8786 0.00000
438 6.8786 0.00000
439 6.8790 0.00000
440 6.8790 0.00000
441 6.9479 0.00000
442 6.9479 0.00000
443 6.9506 0.00000
444 6.9506 0.00000
445 7.1626 0.00000
446 7.1626 0.00000
447 7.1626 0.00000
448 7.1627 0.00000
449 7.2973 0.00000
450 7.2973 0.00000
451 7.2973 0.00000
452 7.2973 0.00000
453 7.4714 0.00000
454 7.4714 0.00000
455 7.4716 0.00000
456 7.4717 0.00000
457 7.9593 0.00000
458 7.9594 0.00000
459 7.9599 0.00000
460 7.9601 0.00000
461 8.2387 0.00000
462 8.2511 0.00000
463 8.2516 0.00000
464 8.2590 0.00000
465 8.3080 0.00000
466 8.3096 0.00000
467 8.3207 0.00000
468 8.3216 0.00000
469 8.5444 0.00000
470 8.5564 0.00000
471 8.5687 0.00000
472 8.6656 0.00000
473 8.6919 0.00000
474 8.7180 0.00000
475 8.7420 0.00000
476 8.8034 0.00000
477 8.8503 0.00000
478 8.9486 0.00000
479 9.0300 0.00000
480 9.5280 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
-22.706 0.037 0.012 0.003 0.011 7.082 -0.022 -0.006
0.037 -22.793 0.006 -0.014 0.005 -0.022 7.131 -0.003
0.012 0.006 -22.818 0.013 -0.003 -0.006 -0.003 7.145
0.003 -0.014 0.013 -22.792 0.034 -0.001 0.008 -0.009
0.011 0.005 -0.003 0.034 -22.701 -0.006 -0.003 0.001
7.082 -0.022 -0.006 -0.001 -0.006 4.307 0.006 0.003
-0.022 7.131 -0.003 0.008 -0.003 0.006 4.287 0.000
-0.006 -0.003 7.145 -0.009 0.001 0.003 0.000 4.282
-0.001 0.008 -0.009 7.131 -0.021 0.000 -0.003 0.004
-0.006 -0.003 0.001 -0.021 7.079 -0.000 -0.000 -0.001
-0.002 0.002 -0.004 -0.005 0.003 0.003 0.001 0.019
0.004 -0.003 0.010 0.003 -0.004 -0.005 -0.001 -0.029
0.019 -0.009 0.005 -0.000 0.007 -0.001 0.003 0.000
-0.000 -0.008 -0.010 0.019 -0.000 -0.000 -0.000 0.007
-0.008 -0.000 -0.011 -0.010 0.019 -0.002 -0.000 0.001
0.032 -0.015 0.008 -0.000 0.013 0.002 0.004 0.002
-0.000 -0.013 -0.016 0.032 -0.000 -0.000 -0.002 0.010
-0.014 -0.000 -0.018 -0.015 0.032 -0.006 -0.000 -0.001
pseudopotential strength for first ion, spin component: 2
-22.706 0.037 0.012 0.003 0.011 7.082 -0.022 -0.006
0.037 -22.793 0.006 -0.014 0.005 -0.022 7.131 -0.003
0.012 0.006 -22.818 0.013 -0.003 -0.006 -0.003 7.145
0.003 -0.014 0.013 -22.792 0.034 -0.001 0.008 -0.009
0.011 0.005 -0.003 0.034 -22.701 -0.006 -0.003 0.001
7.082 -0.022 -0.006 -0.001 -0.006 4.307 0.006 0.003
-0.022 7.131 -0.003 0.008 -0.003 0.006 4.287 0.000
-0.006 -0.003 7.145 -0.009 0.001 0.003 0.000 4.282
-0.001 0.008 -0.009 7.131 -0.021 0.000 -0.003 0.004
-0.006 -0.003 0.001 -0.021 7.079 -0.000 -0.000 -0.001
-0.002 0.002 -0.004 -0.005 0.003 0.003 0.001 0.019
0.004 -0.003 0.010 0.003 -0.004 -0.005 -0.001 -0.029
0.019 -0.009 0.005 -0.000 0.007 -0.001 0.003 0.000
-0.000 -0.008 -0.010 0.019 -0.000 -0.000 -0.000 0.007
-0.008 -0.000 -0.011 -0.010 0.019 -0.002 -0.000 0.001
0.032 -0.015 0.008 -0.000 0.013 0.002 0.004 0.002
-0.000 -0.013 -0.016 0.032 -0.000 -0.000 -0.002 0.010
-0.014 -0.000 -0.018 -0.015 0.032 -0.006 -0.000 -0.001
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 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 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 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 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
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 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 0.000 0.000 0.000 0.000 0.000 0.000 1.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 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
0.133 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.133 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.133 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.133 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.133 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.133 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.067 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.067 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.067 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 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 1.591 0.979 10.027 12.597
2 1.590 0.979 10.027 12.597
3 1.591 0.974 10.030 12.595
4 1.591 0.974 10.030 12.595
5 1.590 0.980 10.027 12.597
6 1.590 0.980 10.027 12.597
7 1.591 0.974 10.030 12.595
8 1.591 0.974 10.030 12.595
9 1.591 0.979 10.027 12.597
10 1.590 0.979 10.027 12.597
11 1.591 0.974 10.030 12.595
12 1.591 0.974 10.030 12.595
13 1.590 0.980 10.027 12.597
14 1.590 0.980 10.027 12.597
15 1.591 0.974 10.030 12.595
16 1.591 0.974 10.030 12.595
17 2.415 6.464 3.261 12.140
18 2.414 6.464 3.261 12.139
19 2.414 6.464 3.261 12.139
20 2.414 6.464 3.261 12.139
21 2.415 6.464 3.261 12.140
22 2.414 6.464 3.261 12.139
23 2.414 6.464 3.261 12.139
24 2.414 6.464 3.261 12.139
25 1.613 3.448 0.000 5.062
26 1.613 3.449 0.000 5.062
27 1.600 3.485 0.000 5.085
28 1.600 3.485 0.000 5.085
29 1.605 3.462 0.000 5.067
30 1.605 3.463 0.000 5.068
31 1.610 3.445 0.000 5.055
32 1.610 3.445 0.000 5.054
33 1.607 3.400 0.000 5.007
34 1.607 3.400 0.000 5.007
35 1.606 3.399 0.000 5.005
36 1.606 3.399 0.000 5.005
37 1.613 3.448 0.000 5.062
38 1.613 3.448 0.000 5.061
39 1.600 3.485 0.000 5.085
40 1.600 3.486 0.000 5.086
41 1.605 3.463 0.000 5.068
42 1.605 3.462 0.000 5.067
43 1.610 3.445 0.000 5.055
44 1.610 3.445 0.000 5.055
45 1.607 3.400 0.000 5.007
46 1.607 3.400 0.000 5.007
47 1.606 3.399 0.000 5.005
48 1.606 3.399 0.000 5.005
49 1.613 3.448 0.000 5.062
50 1.613 3.449 0.000 5.062
51 1.600 3.485 0.000 5.085
52 1.600 3.485 0.000 5.085
53 1.605 3.462 0.000 5.067
54 1.605 3.463 0.000 5.068
55 1.610 3.445 0.000 5.055
56 1.610 3.445 0.000 5.054
57 1.607 3.400 0.000 5.007
58 1.607 3.400 0.000 5.007
59 1.606 3.399 0.000 5.005
60 1.606 3.399 0.000 5.005
61 1.613 3.448 0.000 5.062
62 1.613 3.448 0.000 5.061
63 1.600 3.485 0.000 5.085
64 1.600 3.486 0.000 5.086
65 1.605 3.463 0.000 5.068
66 1.605 3.462 0.000 5.067
67 1.610 3.445 0.000 5.055
68 1.610 3.445 0.000 5.055
69 1.607 3.400 0.000 5.007
70 1.607 3.400 0.000 5.007
71 1.606 3.399 0.000 5.005
72 1.606 3.399 0.000 5.005
--------------------------------------------------
tot 121.902 232.457 186.545 540.905
magnetization (x)
# of ion s p d tot
------------------------------------------
1 -0.000 0.000 -0.000 -0.000
2 -0.000 -0.000 0.000 -0.000
3 0.000 0.000 0.000 0.000
4 -0.000 0.000 0.000 0.000
5 -0.000 -0.000 -0.000 -0.000
6 -0.000 0.000 -0.000 -0.000
7 0.000 -0.000 0.000 0.000
8 0.000 0.000 -0.000 0.000
9 -0.000 0.000 -0.000 -0.000
10 -0.000 -0.000 0.000 -0.000
11 0.000 0.000 0.000 0.000
12 -0.000 0.000 0.000 0.000
13 -0.000 -0.000 -0.000 -0.000
14 -0.000 0.000 -0.000 -0.000
15 0.000 -0.000 0.000 0.000
16 0.000 0.000 -0.000 0.000
17 0.000 0.000 0.000 0.000
18 0.000 0.000 0.000 0.000
19 0.000 0.000 0.000 0.000
20 0.000 -0.000 0.000 0.000
21 0.000 0.000 0.000 0.000
22 0.000 0.000 0.000 0.000
23 0.000 0.000 0.000 0.000
24 0.000 -0.000 0.000 0.000
25 -0.000 -0.000 0.000 -0.000
26 -0.000 0.000 0.000 0.000
27 0.000 0.000 0.000 0.000
28 0.000 0.000 0.000 0.000
29 -0.000 -0.000 0.000 -0.000
30 0.000 0.000 0.000 0.000
31 0.000 0.000 0.000 0.000
32 -0.000 -0.000 0.000 -0.000
33 -0.000 0.000 0.000 0.000
34 -0.000 -0.000 0.000 -0.000
35 -0.000 -0.000 0.000 -0.000
36 -0.000 -0.000 0.000 -0.000
37 0.000 0.000 0.000 0.000
38 0.000 0.000 0.000 0.000
39 0.000 0.000 0.000 0.000
40 0.000 0.000 0.000 0.000
41 -0.000 -0.000 0.000 -0.000
42 0.000 -0.000 0.000 -0.000
43 -0.000 -0.000 0.000 -0.000
44 -0.000 -0.000 0.000 -0.000
45 -0.000 -0.000 0.000 -0.000
46 -0.000 -0.000 0.000 -0.000
47 -0.000 -0.000 0.000 -0.000
48 -0.000 -0.000 0.000 -0.000
49 -0.000 -0.000 0.000 -0.000
50 -0.000 0.000 0.000 0.000
51 0.000 0.000 0.000 0.000
52 0.000 0.000 0.000 0.000
53 -0.000 -0.000 0.000 -0.000
54 0.000 0.000 0.000 0.000
55 0.000 0.000 0.000 0.000
56 -0.000 -0.000 0.000 -0.000
57 -0.000 0.000 0.000 0.000
58 -0.000 -0.000 0.000 -0.000
59 -0.000 -0.000 0.000 -0.000
60 -0.000 -0.000 0.000 -0.000
61 0.000 0.000 0.000 0.000
62 0.000 0.000 0.000 0.000
63 0.000 0.000 0.000 0.000
64 0.000 0.000 0.000 0.000
65 -0.000 -0.000 0.000 -0.000
66 0.000 -0.000 0.000 -0.000
67 -0.000 -0.000 0.000 -0.000
68 -0.000 -0.000 0.000 -0.000
69 -0.000 -0.000 0.000 -0.000
70 -0.000 -0.000 0.000 -0.000
71 -0.000 -0.000 0.000 -0.000
72 -0.000 -0.000 0.000 -0.000
--------------------------------------------------
tot -0.000 -0.000 0.000 -0.000
-----------------------------------------------------------------------------
| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| Specifying the vdW parameters |
| VDW_A1 = 0.429 |
| VDW_A2 = 4.441 |
| VDW_S8 = 0.787 |
| in the INCAR file will overwrite the defaults for pbe. Please make |
| sure that is what you intended. |
| |
-----------------------------------------------------------------------------
---------------------------------------------------------------------------------------------
DFTD3 V3.0 Rev 1
IVDW = 12
DF pbe
parameters
VDW_S6 = 1.0000
VDW_S8 = 0.7875
VDW_A1 = 0.4289
VDW_A2 = 4.4407
k1-k3 = 16.0000 1.3333 -4.0000
VDW_RADIUS = 50.2022 A
VDW_CNRADIUS = 21.1671 A
Edisp (eV) -13.28529
E6 (eV) : -7.4799
E8 (eV) : -5.8054
% E8 : 43.70
VOLUME and BASIS-vectors are now :
-----------------------------------------------------------------------------
energy-cutoff : 400.00
volume of cell : 2791.51
direct lattice vectors reciprocal lattice vectors
10.797200000 0.000000000 0.000000000 0.092616604 0.000000000 0.000000000
0.000000000 10.745000000 0.000000000 0.000000000 0.093066543 0.000000000
0.000000000 0.000000000 24.061400000 0.000000000 0.000000000 0.041560341
length of vectors
10.797200000 10.745000000 24.061400000 0.092616604 0.093066543 0.041560341
FORCES acting on ions
electron-ion (+dipol) ewald-force non-local-force convergence-correction
-----------------------------------------------------------------------------------------------
0.242E+03 -.103E+03 -.331E+04 -.255E+03 0.109E+03 0.331E+04 0.131E+02 -.603E+01 -.472E+01 0.189E-01 0.102E-01 0.150E-01
-.242E+03 -.103E+03 -.331E+04 0.255E+03 0.109E+03 0.331E+04 -.131E+02 -.603E+01 -.471E+01 0.281E-02 0.200E-01 -.524E-01
-.265E+03 -.508E+02 0.335E+04 0.278E+03 0.565E+02 -.335E+04 -.131E+02 -.558E+01 0.561E+01 0.332E-03 -.120E-01 -.130E-01
0.265E+03 -.509E+02 0.335E+04 -.278E+03 0.565E+02 -.335E+04 0.131E+02 -.559E+01 0.561E+01 0.184E-01 0.124E-01 0.342E-01
0.242E+03 -.103E+03 -.331E+04 -.255E+03 0.109E+03 0.331E+04 0.131E+02 -.603E+01 -.471E+01 -.143E-01 0.484E-02 -.254E-01
-.242E+03 -.103E+03 -.331E+04 0.255E+03 0.109E+03 0.331E+04 -.131E+02 -.604E+01 -.471E+01 -.449E-02 -.210E-02 -.386E-01
-.265E+03 -.510E+02 0.335E+04 0.278E+03 0.567E+02 -.335E+04 -.131E+02 -.559E+01 0.562E+01 0.593E-02 0.180E-01 -.912E-02
0.265E+03 -.508E+02 0.335E+04 -.278E+03 0.564E+02 -.335E+04 0.131E+02 -.559E+01 0.563E+01 -.144E-01 0.173E-01 -.395E-01
0.242E+03 -.103E+03 -.331E+04 -.255E+03 0.109E+03 0.331E+04 0.131E+02 -.603E+01 -.472E+01 0.189E-01 0.102E-01 0.150E-01
-.242E+03 -.103E+03 -.331E+04 0.255E+03 0.109E+03 0.331E+04 -.131E+02 -.603E+01 -.471E+01 0.281E-02 0.200E-01 -.524E-01
-.265E+03 -.508E+02 0.335E+04 0.278E+03 0.565E+02 -.335E+04 -.131E+02 -.558E+01 0.561E+01 0.332E-03 -.120E-01 -.130E-01
0.265E+03 -.509E+02 0.335E+04 -.278E+03 0.565E+02 -.335E+04 0.131E+02 -.559E+01 0.561E+01 0.184E-01 0.124E-01 0.342E-01
0.242E+03 -.103E+03 -.331E+04 -.255E+03 0.109E+03 0.331E+04 0.131E+02 -.603E+01 -.471E+01 -.143E-01 0.484E-02 -.254E-01
-.242E+03 -.103E+03 -.331E+04 0.255E+03 0.109E+03 0.331E+04 -.131E+02 -.604E+01 -.471E+01 -.449E-02 -.210E-02 -.386E-01
-.265E+03 -.510E+02 0.335E+04 0.278E+03 0.567E+02 -.335E+04 -.131E+02 -.559E+01 0.562E+01 0.593E-02 0.180E-01 -.912E-02
0.265E+03 -.508E+02 0.335E+04 -.278E+03 0.564E+02 -.335E+04 0.131E+02 -.559E+01 0.563E+01 -.144E-01 0.173E-01 -.395E-01
0.491E+02 -.205E+01 -.266E+02 -.492E+02 0.210E+01 0.266E+02 0.220E+00 -.221E+00 0.893E-01 0.173E-01 0.247E-01 0.258E-01
-.489E+02 -.196E+01 -.266E+02 0.491E+02 0.205E+01 0.266E+02 -.224E+00 -.213E+00 0.106E+00 -.243E-01 -.138E-01 -.361E-01
0.504E+02 -.281E+01 -.265E+02 -.506E+02 0.299E+01 0.264E+02 0.244E+00 -.218E+00 0.931E-01 -.151E-01 -.316E-01 0.278E-01
-.500E+02 -.260E+01 -.263E+02 0.501E+02 0.272E+01 0.263E+02 -.240E+00 -.222E+00 0.104E+00 0.574E-02 0.157E-01 -.461E-01
0.491E+02 -.205E+01 -.266E+02 -.492E+02 0.210E+01 0.266E+02 0.220E+00 -.221E+00 0.893E-01 0.173E-01 0.247E-01 0.258E-01
-.489E+02 -.196E+01 -.266E+02 0.491E+02 0.205E+01 0.266E+02 -.224E+00 -.213E+00 0.106E+00 -.243E-01 -.138E-01 -.361E-01
0.504E+02 -.281E+01 -.265E+02 -.506E+02 0.299E+01 0.264E+02 0.244E+00 -.218E+00 0.931E-01 -.151E-01 -.316E-01 0.278E-01
-.500E+02 -.260E+01 -.263E+02 0.501E+02 0.272E+01 0.263E+02 -.240E+00 -.222E+00 0.104E+00 0.574E-02 0.157E-01 -.461E-01
-.152E+03 0.191E+02 0.786E+03 0.168E+03 -.237E+02 -.803E+03 -.167E+02 0.456E+01 0.167E+02 -.124E-01 0.586E-02 0.272E-01
0.151E+03 0.193E+02 0.787E+03 -.168E+03 -.240E+02 -.803E+03 0.166E+02 0.459E+01 0.167E+02 0.904E-02 -.429E-02 0.149E-01
0.970E+02 -.358E+01 0.499E+03 -.111E+03 0.863E+01 -.503E+03 0.137E+02 -.494E+01 0.447E+01 0.204E-01 -.173E-01 -.788E-02
-.973E+02 -.390E+01 0.499E+03 0.111E+03 0.895E+01 -.503E+03 -.137E+02 -.496E+01 0.447E+01 -.169E-01 0.206E-02 0.145E-01
-.777E+02 -.120E+03 -.448E+03 0.893E+02 0.136E+03 0.451E+03 -.115E+02 -.154E+02 -.223E+01 -.763E-02 -.170E-01 -.230E-01
0.776E+02 -.121E+03 -.449E+03 -.891E+02 0.137E+03 0.451E+03 0.115E+02 -.155E+02 -.227E+01 0.124E-01 -.117E-01 -.199E-01
0.240E+02 0.100E+03 -.832E+03 -.283E+02 -.113E+03 0.850E+03 0.431E+01 0.127E+02 -.179E+02 -.911E-04 0.169E-02 -.268E-01
-.239E+02 0.100E+03 -.832E+03 0.282E+02 -.113E+03 0.850E+03 -.431E+01 0.127E+02 -.179E+02 -.974E-02 0.153E-01 -.107E-01
0.112E+03 0.747E+02 -.157E+04 -.122E+03 -.851E+02 0.158E+04 0.109E+02 0.104E+02 -.107E+02 0.519E-02 -.434E-02 -.635E-02
-.112E+03 0.747E+02 -.157E+04 0.122E+03 -.852E+02 0.158E+04 -.109E+02 0.104E+02 -.107E+02 0.176E-04 -.120E-02 0.171E-02
0.124E+03 0.800E+02 0.155E+04 -.135E+03 -.910E+02 -.156E+04 0.109E+02 0.110E+02 0.924E+01 0.253E-02 0.427E-02 -.614E-02
-.124E+03 0.800E+02 0.155E+04 0.135E+03 -.910E+02 -.156E+04 -.109E+02 0.110E+02 0.923E+01 0.233E-02 -.831E-02 0.718E-02
-.151E+03 0.194E+02 0.787E+03 0.168E+03 -.240E+02 -.803E+03 -.166E+02 0.458E+01 0.167E+02 -.212E-01 0.902E-03 0.877E-02
0.151E+03 0.189E+02 0.787E+03 -.168E+03 -.235E+02 -.803E+03 0.166E+02 0.455E+01 0.167E+02 0.106E-01 0.381E-02 0.126E-01
0.971E+02 -.361E+01 0.499E+03 -.111E+03 0.865E+01 -.504E+03 0.137E+02 -.493E+01 0.449E+01 0.277E-01 -.121E-01 0.239E-01
-.972E+02 -.391E+01 0.499E+03 0.111E+03 0.897E+01 -.504E+03 -.137E+02 -.496E+01 0.451E+01 -.310E-02 -.585E-02 -.595E-02
-.776E+02 -.121E+03 -.449E+03 0.891E+02 0.137E+03 0.451E+03 -.115E+02 -.155E+02 -.227E+01 -.246E-02 -.135E-01 -.214E-01
0.776E+02 -.120E+03 -.448E+03 -.891E+02 0.136E+03 0.451E+03 0.115E+02 -.154E+02 -.222E+01 0.538E-02 -.101E-01 0.819E-02
0.237E+02 0.100E+03 -.833E+03 -.280E+02 -.113E+03 0.851E+03 0.430E+01 0.127E+02 -.180E+02 0.608E-02 0.166E-02 -.507E-02
-.238E+02 0.100E+03 -.833E+03 0.281E+02 -.113E+03 0.851E+03 -.430E+01 0.127E+02 -.180E+02 -.122E-01 0.155E-01 -.324E-01
0.112E+03 0.746E+02 -.157E+04 -.123E+03 -.850E+02 0.158E+04 0.109E+02 0.104E+02 -.107E+02 0.679E-03 -.396E-02 -.588E-02
-.112E+03 0.747E+02 -.157E+04 0.122E+03 -.852E+02 0.158E+04 -.109E+02 0.104E+02 -.107E+02 -.872E-02 -.628E-03 -.123E-01
0.124E+03 0.799E+02 0.155E+04 -.135E+03 -.909E+02 -.156E+04 0.109E+02 0.110E+02 0.925E+01 0.274E-02 -.571E-02 0.159E-02
-.124E+03 0.799E+02 0.155E+04 0.135E+03 -.909E+02 -.156E+04 -.109E+02 0.110E+02 0.925E+01 -.187E-03 0.516E-02 -.658E-02
-.152E+03 0.191E+02 0.786E+03 0.168E+03 -.237E+02 -.803E+03 -.167E+02 0.456E+01 0.167E+02 -.124E-01 0.586E-02 0.272E-01
0.151E+03 0.193E+02 0.787E+03 -.168E+03 -.240E+02 -.803E+03 0.166E+02 0.459E+01 0.167E+02 0.904E-02 -.429E-02 0.149E-01
0.970E+02 -.358E+01 0.499E+03 -.111E+03 0.863E+01 -.503E+03 0.137E+02 -.494E+01 0.447E+01 0.204E-01 -.173E-01 -.788E-02
-.973E+02 -.390E+01 0.499E+03 0.111E+03 0.895E+01 -.503E+03 -.137E+02 -.496E+01 0.447E+01 -.169E-01 0.206E-02 0.145E-01
-.777E+02 -.120E+03 -.448E+03 0.893E+02 0.136E+03 0.451E+03 -.115E+02 -.154E+02 -.223E+01 -.763E-02 -.170E-01 -.230E-01
0.776E+02 -.121E+03 -.449E+03 -.891E+02 0.137E+03 0.451E+03 0.115E+02 -.155E+02 -.227E+01 0.124E-01 -.117E-01 -.199E-01
0.240E+02 0.100E+03 -.832E+03 -.283E+02 -.113E+03 0.850E+03 0.431E+01 0.127E+02 -.179E+02 -.911E-04 0.169E-02 -.268E-01
-.239E+02 0.100E+03 -.832E+03 0.282E+02 -.113E+03 0.850E+03 -.431E+01 0.127E+02 -.179E+02 -.974E-02 0.153E-01 -.107E-01
0.112E+03 0.747E+02 -.157E+04 -.122E+03 -.851E+02 0.158E+04 0.109E+02 0.104E+02 -.107E+02 0.519E-02 -.434E-02 -.635E-02
-.112E+03 0.747E+02 -.157E+04 0.122E+03 -.852E+02 0.158E+04 -.109E+02 0.104E+02 -.107E+02 0.176E-04 -.120E-02 0.171E-02
0.124E+03 0.800E+02 0.155E+04 -.135E+03 -.910E+02 -.156E+04 0.109E+02 0.110E+02 0.924E+01 0.253E-02 0.427E-02 -.614E-02
-.124E+03 0.800E+02 0.155E+04 0.135E+03 -.910E+02 -.156E+04 -.109E+02 0.110E+02 0.923E+01 0.233E-02 -.831E-02 0.718E-02
-.151E+03 0.194E+02 0.787E+03 0.168E+03 -.240E+02 -.803E+03 -.166E+02 0.458E+01 0.167E+02 -.212E-01 0.902E-03 0.877E-02
0.151E+03 0.189E+02 0.787E+03 -.168E+03 -.235E+02 -.803E+03 0.166E+02 0.455E+01 0.167E+02 0.106E-01 0.381E-02 0.126E-01
0.971E+02 -.361E+01 0.499E+03 -.111E+03 0.865E+01 -.504E+03 0.137E+02 -.493E+01 0.449E+01 0.277E-01 -.121E-01 0.239E-01
-.972E+02 -.391E+01 0.499E+03 0.111E+03 0.897E+01 -.504E+03 -.137E+02 -.496E+01 0.451E+01 -.310E-02 -.585E-02 -.595E-02
-.776E+02 -.121E+03 -.449E+03 0.891E+02 0.137E+03 0.451E+03 -.115E+02 -.155E+02 -.227E+01 -.246E-02 -.135E-01 -.214E-01
0.776E+02 -.120E+03 -.448E+03 -.891E+02 0.136E+03 0.451E+03 0.115E+02 -.154E+02 -.222E+01 0.538E-02 -.101E-01 0.819E-02
0.237E+02 0.100E+03 -.833E+03 -.280E+02 -.113E+03 0.851E+03 0.430E+01 0.127E+02 -.180E+02 0.608E-02 0.166E-02 -.507E-02
-.238E+02 0.100E+03 -.833E+03 0.281E+02 -.113E+03 0.851E+03 -.430E+01 0.127E+02 -.180E+02 -.122E-01 0.155E-01 -.324E-01
0.112E+03 0.746E+02 -.157E+04 -.123E+03 -.850E+02 0.158E+04 0.109E+02 0.104E+02 -.107E+02 0.679E-03 -.396E-02 -.588E-02
-.112E+03 0.747E+02 -.157E+04 0.122E+03 -.852E+02 0.158E+04 -.109E+02 0.104E+02 -.107E+02 -.872E-02 -.628E-03 -.123E-01
0.124E+03 0.799E+02 0.155E+04 -.135E+03 -.909E+02 -.156E+04 0.109E+02 0.110E+02 0.925E+01 0.274E-02 -.571E-02 0.159E-02
-.124E+03 0.799E+02 0.155E+04 0.135E+03 -.909E+02 -.156E+04 -.109E+02 0.110E+02 0.925E+01 -.187E-03 0.516E-02 -.658E-02
-----------------------------------------------------------------------------------------------
0.932E-02 -.517E+02 -.388E+01 0.114E-12 -.597E-12 0.455E-12 -.120E+00 0.518E+02 0.426E+01 0.141E-01 0.758E-02 -.455E+00
POSITION TOTAL-FORCE (eV/Angst)
-----------------------------------------------------------------------------------
5.51814 2.41720 7.01350 -0.042242 -0.035585 -0.050607
2.57971 5.10326 7.01348 0.047760 -0.030361 -0.051429
10.67417 3.47872 1.02090 0.005796 0.024564 0.033677
2.82205 0.79232 1.02028 0.021594 0.040192 0.079675
0.11947 2.41695 7.01312 -0.018725 -0.022569 -0.021470
7.97844 5.10321 7.01315 0.024674 -0.020543 -0.020911
5.27567 3.47852 1.02044 -0.014274 0.043613 0.081159
8.22089 0.79248 1.02063 -0.004790 0.022670 0.032300
5.51814 7.78970 7.01350 -0.042242 -0.035585 -0.050607
2.57971 10.47576 7.01348 0.047760 -0.030361 -0.051429
10.67417 8.85122 1.02090 0.005796 0.024564 0.033677
2.82205 6.16482 1.02028 0.021594 0.040192 0.079675
0.11947 7.78945 7.01312 -0.018725 -0.022569 -0.021470
7.97844 10.47571 7.01315 0.024674 -0.020543 -0.020911
5.27567 8.85102 1.02044 -0.014274 0.043613 0.081159
8.22089 6.16498 1.02063 -0.004790 0.022670 0.032300
2.85096 2.89278 4.04158 0.002382 -0.043733 0.037636
5.24694 0.20672 4.04195 -0.008357 -0.046080 0.009728
8.25120 2.89158 4.04143 -0.169484 0.086216 0.036783
10.64408 0.20592 4.04132 0.137189 0.056952 0.049945
2.85096 8.26528 4.04158 0.002382 -0.043733 0.037636
5.24694 5.57922 4.04195 -0.008357 -0.046080 0.009728
8.25120 8.26408 4.04143 -0.169484 0.086216 0.036783
10.64408 5.57842 4.04132 0.137189 0.056952 0.049945
0.95132 5.17643 2.68810 -0.018782 -0.032003 0.043634
1.74786 2.49020 2.68761 -0.003554 -0.031352 0.035779
3.79621 0.86324 3.08740 -0.045422 0.003777 0.037930
4.30116 3.54924 3.08780 0.065981 0.003045 0.030068
0.61174 1.61762 4.92815 -0.009285 0.018595 -0.039260
2.08774 4.30349 4.92813 0.020889 0.028069 -0.011723
4.80233 4.48742 5.42514 0.038040 0.010361 -0.133843
3.29582 1.80094 5.42501 -0.032304 0.016507 -0.137616
0.70449 0.47976 7.60049 -0.014132 0.005450 0.078423
1.99490 3.16600 7.60059 0.005359 -0.001516 0.076734
3.35190 4.20616 0.48793 -0.019084 0.004961 -0.046267
4.74592 1.51999 0.48804 0.005364 -0.008725 -0.047829
6.34993 5.17639 2.68765 -0.015681 -0.028350 0.045173
7.14638 2.49011 2.68761 0.016569 -0.031142 0.055155
9.19454 0.86363 3.08766 -0.041302 -0.040590 -0.003945
9.69994 3.54991 3.08805 0.061476 -0.042122 -0.005153
6.01039 1.61740 4.92793 -0.017189 0.035504 -0.006313
7.48625 4.30390 4.92836 0.019864 0.001174 -0.047534
10.20069 4.48761 5.42470 0.044607 0.005748 -0.111311
8.69454 1.80120 5.42437 -0.032445 -0.001081 -0.096957
6.10313 0.47966 7.60054 -0.011276 0.007616 0.076437
7.39354 3.16609 7.60041 0.010612 -0.001799 0.079288
8.75062 4.20613 0.48783 -0.018667 0.007160 -0.043734
10.14449 1.51993 0.48786 0.008840 -0.004626 -0.043623
0.95132 10.54893 2.68810 -0.018782 -0.032003 0.043634
1.74786 7.86270 2.68761 -0.003554 -0.031352 0.035779
3.79621 6.23574 3.08740 -0.045422 0.003777 0.037930
4.30116 8.92174 3.08780 0.065981 0.003045 0.030068
0.61174 6.99012 4.92815 -0.009285 0.018595 -0.039260
2.08774 9.67599 4.92813 0.020889 0.028069 -0.011723
4.80233 9.85992 5.42514 0.038040 0.010361 -0.133843
3.29582 7.17344 5.42501 -0.032304 0.016507 -0.137616
0.70449 5.85226 7.60049 -0.014132 0.005450 0.078423
1.99490 8.53850 7.60059 0.005359 -0.001516 0.076734
3.35190 9.57866 0.48793 -0.019084 0.004961 -0.046267
4.74592 6.89249 0.48804 0.005364 -0.008725 -0.047829
6.34993 10.54889 2.68765 -0.015681 -0.028350 0.045173
7.14638 7.86261 2.68761 0.016569 -0.031142 0.055155
9.19454 6.23613 3.08766 -0.041302 -0.040590 -0.003945
9.69994 8.92241 3.08805 0.061476 -0.042122 -0.005153
6.01039 6.98990 4.92793 -0.017189 0.035504 -0.006313
7.48625 9.67640 4.92836 0.019864 0.001174 -0.047534
10.20069 9.86011 5.42470 0.044607 0.005748 -0.111311
8.69454 7.17370 5.42437 -0.032445 -0.001081 -0.096957
6.10313 5.85216 7.60054 -0.011276 0.007616 0.076437
7.39354 8.53859 7.60041 0.010612 -0.001799 0.079288
8.75062 9.57863 0.48783 -0.018667 0.007160 -0.043734
10.14449 6.89243 0.48786 0.008840 -0.004626 -0.043623
-----------------------------------------------------------------------------------
total drift: -0.096727 0.012207 -0.071824
--------------------------------------------------------------------------------------------------------
FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
---------------------------------------------------
free energy TOTEN = -524.2410642862 eV
energy without entropy= -524.2410642862 energy(sigma->0) = -524.24106429
--------------------------------------------------------------------------------------------------------
--------------------------------------------------------------------------------------------------------
writing wavefunctions
total charge
# of ion s p d tot
------------------------------------------
1 1.591 0.979 10.027 12.597
2 1.590 0.979 10.027 12.597
3 1.591 0.974 10.030 12.595
4 1.591 0.974 10.030 12.595
5 1.590 0.980 10.027 12.597
6 1.590 0.980 10.027 12.597
7 1.591 0.974 10.030 12.595
8 1.591 0.974 10.030 12.595
9 1.591 0.979 10.027 12.597
10 1.590 0.979 10.027 12.597
11 1.591 0.974 10.030 12.595
12 1.591 0.974 10.030 12.595
13 1.590 0.980 10.027 12.597
14 1.590 0.980 10.027 12.597
15 1.591 0.974 10.030 12.595
16 1.591 0.974 10.030 12.595
17 2.415 6.464 3.261 12.140
18 2.414 6.464 3.261 12.139
19 2.414 6.464 3.261 12.139
20 2.414 6.464 3.261 12.139
21 2.415 6.464 3.261 12.140
22 2.414 6.464 3.261 12.139
23 2.414 6.464 3.261 12.139
24 2.414 6.464 3.261 12.139
25 1.613 3.448 0.000 5.062
26 1.613 3.449 0.000 5.062
27 1.600 3.485 0.000 5.085
28 1.600 3.485 0.000 5.085
29 1.605 3.462 0.000 5.067
30 1.605 3.463 0.000 5.068
31 1.610 3.445 0.000 5.055
32 1.610 3.445 0.000 5.054
33 1.607 3.400 0.000 5.007
34 1.607 3.400 0.000 5.007
35 1.606 3.399 0.000 5.005
36 1.606 3.399 0.000 5.005
37 1.613 3.448 0.000 5.062
38 1.613 3.448 0.000 5.061
39 1.600 3.485 0.000 5.085
40 1.600 3.486 0.000 5.086
41 1.605 3.463 0.000 5.068
42 1.605 3.462 0.000 5.067
43 1.610 3.445 0.000 5.055
44 1.610 3.445 0.000 5.055
45 1.607 3.400 0.000 5.007
46 1.607 3.400 0.000 5.007
47 1.606 3.399 0.000 5.005
48 1.606 3.399 0.000 5.005
49 1.613 3.448 0.000 5.062
50 1.613 3.449 0.000 5.062
51 1.600 3.485 0.000 5.085
52 1.600 3.485 0.000 5.085
53 1.605 3.462 0.000 5.067
54 1.605 3.463 0.000 5.068
55 1.610 3.445 0.000 5.055
56 1.610 3.445 0.000 5.054
57 1.607 3.400 0.000 5.007
58 1.607 3.400 0.000 5.007
59 1.606 3.399 0.000 5.005
60 1.606 3.399 0.000 5.005
61 1.613 3.448 0.000 5.062
62 1.613 3.448 0.000 5.061
63 1.600 3.485 0.000 5.085
64 1.600 3.486 0.000 5.086
65 1.605 3.463 0.000 5.068
66 1.605 3.462 0.000 5.067
67 1.610 3.445 0.000 5.055
68 1.610 3.445 0.000 5.055
69 1.607 3.400 0.000 5.007
70 1.607 3.400 0.000 5.007
71 1.606 3.399 0.000 5.005
72 1.606 3.399 0.000 5.005
--------------------------------------------------
tot 121.902 232.457 186.545 540.905
magnetization (x)
# of ion s p d tot
------------------------------------------
1 -0.000 0.000 -0.000 -0.000
2 -0.000 -0.000 0.000 -0.000
3 0.000 0.000 0.000 0.000
4 -0.000 0.000 0.000 0.000
5 -0.000 -0.000 -0.000 -0.000
6 -0.000 0.000 -0.000 -0.000
7 0.000 -0.000 0.000 0.000
8 0.000 0.000 -0.000 0.000
9 -0.000 0.000 -0.000 -0.000
10 -0.000 -0.000 0.000 -0.000
11 0.000 0.000 0.000 0.000
12 -0.000 0.000 0.000 0.000
13 -0.000 -0.000 -0.000 -0.000
14 -0.000 0.000 -0.000 -0.000
15 0.000 -0.000 0.000 0.000
16 0.000 0.000 -0.000 0.000
17 0.000 0.000 0.000 0.000
18 0.000 0.000 0.000 0.000
19 0.000 0.000 0.000 0.000
20 0.000 -0.000 0.000 0.000
21 0.000 0.000 0.000 0.000
22 0.000 0.000 0.000 0.000
23 0.000 0.000 0.000 0.000
24 0.000 -0.000 0.000 0.000
25 -0.000 -0.000 0.000 -0.000
26 -0.000 0.000 0.000 0.000
27 0.000 0.000 0.000 0.000
28 0.000 0.000 0.000 0.000
29 -0.000 -0.000 0.000 -0.000
30 0.000 0.000 0.000 0.000
31 0.000 0.000 0.000 0.000
32 -0.000 -0.000 0.000 -0.000
33 -0.000 0.000 0.000 0.000
34 -0.000 -0.000 0.000 -0.000
35 -0.000 -0.000 0.000 -0.000
36 -0.000 -0.000 0.000 -0.000
37 0.000 0.000 0.000 0.000
38 0.000 0.000 0.000 0.000
39 0.000 0.000 0.000 0.000
40 0.000 0.000 0.000 0.000
41 -0.000 -0.000 0.000 -0.000
42 0.000 -0.000 0.000 -0.000
43 -0.000 -0.000 0.000 -0.000
44 -0.000 -0.000 0.000 -0.000
45 -0.000 -0.000 0.000 -0.000
46 -0.000 -0.000 0.000 -0.000
47 -0.000 -0.000 0.000 -0.000
48 -0.000 -0.000 0.000 -0.000
49 -0.000 -0.000 0.000 -0.000
50 -0.000 0.000 0.000 0.000
51 0.000 0.000 0.000 0.000
52 0.000 0.000 0.000 0.000
53 -0.000 -0.000 0.000 -0.000
54 0.000 0.000 0.000 0.000
55 0.000 0.000 0.000 0.000
56 -0.000 -0.000 0.000 -0.000
57 -0.000 0.000 0.000 0.000
58 -0.000 -0.000 0.000 -0.000
59 -0.000 -0.000 0.000 -0.000
60 -0.000 -0.000 0.000 -0.000
61 0.000 0.000 0.000 0.000
62 0.000 0.000 0.000 0.000
63 0.000 0.000 0.000 0.000
64 0.000 0.000 0.000 0.000
65 -0.000 -0.000 0.000 -0.000
66 0.000 -0.000 0.000 -0.000
67 -0.000 -0.000 0.000 -0.000
68 -0.000 -0.000 0.000 -0.000
69 -0.000 -0.000 0.000 -0.000
70 -0.000 -0.000 0.000 -0.000
71 -0.000 -0.000 0.000 -0.000
72 -0.000 -0.000 0.000 -0.000
--------------------------------------------------
tot -0.000 -0.000 0.000 -0.000
total amount of memory used by VASP MPI-rank0 584166. kBytes
=======================================================================
base : 30000. kBytes
nonl-proj : 41674. kBytes
fftplans : 6528. kBytes
grid : 7193. kBytes
one-center: 186. kBytes
wavefun : 498585. kBytes
General timing and accounting informations for this job:
========================================================
Total CPU time used (sec): 5903.027
User time (sec): 5325.469
System time (sec): 577.558
Elapsed time (sec): 5907.798
Maximum memory used (kb): 969208.
Average memory used (kb): N/A
Minor page faults: 671353
Major page faults: 9
Voluntary context switches: 1634