Stage_1/DOS OUTCAR.out output for 1002: Bi2WO6_1_001_sp
Status:
finished
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 2025.04.06 14:59:20
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_sp
NPAR = 1
PREC = Normal
ENCUT = 400
IBRION = -1
NSW = 0
ISIF = 0
NELMIN = 2
EDIFF = 1.0e-08
VOSKOWN = 1
NWRITE = 1
NELM = 60
ALGO = Fast (Davidson and RMM-DIIS)
IVDW = 12
VDW_S6 = 1.000
VDW_S8 = 0.7875
VDW_A1 = 0.4289
VDW_A2 = 4.4407
ISPIN = 2
INIWAV = 1
ISTART = 0
NBANDS = 1152
ICHARG = 11
LOPTICS = .TRUE.
CSHIFT = 0.1
LWAVE = .FALSE.
LCHARG = .FALSE.
ADDGRID = .TRUE.
ISMEAR = 0
SIGMA = 0.05
LREAL = .FALSE.
LSCALAPACK = .FALSE.
RWIGS = 1.46 1.30 0.73
NEDOS = 3000
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_sp
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 0.224 0.291- 45 2.11 46 2.11 41 2.28
2 0.239 0.474 0.291- 34 2.11 57 2.11 30 2.28
3 0.988 0.324 0.043- 48 2.10 47 2.13 40 2.28 25 2.61
4 0.262 0.074 0.043- 59 2.10 36 2.12 27 2.28 26 2.61
5 0.011 0.224 0.291- 33 2.11 34 2.11 29 2.28
6 0.739 0.474 0.291- 46 2.11 69 2.11 42 2.28
7 0.488 0.324 0.043- 36 2.10 35 2.13 28 2.28 37 2.61
8 0.762 0.074 0.043- 71 2.10 48 2.12 39 2.28 38 2.61
9 0.511 0.724 0.291- 69 2.11 70 2.11 65 2.28
10 0.239 0.974 0.291- 58 2.11 33 2.11 54 2.28
11 0.988 0.824 0.043- 72 2.10 71 2.13 64 2.28 49 2.61
12 0.262 0.574 0.043- 35 2.10 60 2.12 51 2.28 50 2.61
13 0.011 0.724 0.291- 57 2.11 58 2.11 53 2.28
14 0.739 0.974 0.291- 70 2.11 45 2.11 66 2.28
15 0.488 0.824 0.043- 60 2.10 59 2.13 52 2.28 61 2.61
16 0.762 0.574 0.043- 47 2.10 72 2.12 63 2.28 62 2.61
17 0.264 0.270 0.168- 26 1.79 32 1.81 30 1.84 28 1.86
18 0.486 0.020 0.168- 61 1.79 55 1.81 41 1.84 27 1.86
19 0.764 0.270 0.168- 38 1.79 44 1.81 42 1.84 40 1.86
20 0.986 0.020 0.168- 49 1.79 67 1.81 29 1.84 39 1.86
21 0.264 0.770 0.168- 50 1.79 56 1.81 54 1.84 52 1.86
22 0.486 0.520 0.168- 37 1.79 31 1.81 65 1.84 51 1.86
23 0.764 0.770 0.168- 62 1.79 68 1.81 66 1.84 64 1.86
24 0.986 0.520 0.168- 25 1.79 43 1.81 53 1.84 63 1.86
25 0.088 0.481 0.112- 24 1.79 3 2.61
26 0.161 0.231 0.112- 17 1.79 4 2.61
27 0.351 0.080 0.128- 18 1.86 4 2.28
28 0.399 0.330 0.128- 17 1.86 7 2.28
29 0.057 0.152 0.205- 20 1.84 5 2.28
30 0.194 0.401 0.205- 17 1.84 2 2.28
31 0.446 0.417 0.225- 22 1.81
32 0.305 0.167 0.225- 17 1.81
33 0.066 0.045 0.316- 5 2.11 10 2.11
34 0.185 0.295 0.316- 2 2.11 5 2.11
35 0.310 0.392 0.020- 12 2.10 7 2.13
36 0.440 0.142 0.020- 7 2.10 4 2.12
37 0.588 0.481 0.112- 22 1.79 7 2.61
38 0.661 0.231 0.112- 19 1.79 8 2.61
39 0.851 0.080 0.128- 20 1.86 8 2.28
40 0.899 0.330 0.128- 19 1.86 3 2.28
41 0.557 0.152 0.205- 18 1.84 1 2.28
42 0.694 0.402 0.205- 19 1.84 6 2.28
43 0.946 0.417 0.225- 24 1.81
44 0.805 0.167 0.225- 19 1.81
45 0.566 0.045 0.316- 1 2.11 14 2.11
46 0.685 0.295 0.316- 6 2.11 1 2.11
47 0.810 0.392 0.020- 16 2.10 3 2.13
48 0.940 0.142 0.020- 3 2.10 8 2.12
49 0.088 0.981 0.112- 20 1.79 11 2.61
50 0.161 0.731 0.112- 21 1.79 12 2.61
51 0.351 0.580 0.128- 22 1.86 12 2.28
52 0.399 0.830 0.128- 21 1.86 15 2.28
53 0.057 0.652 0.205- 24 1.84 13 2.28
54 0.194 0.901 0.205- 21 1.84 10 2.28
55 0.446 0.917 0.225- 18 1.81
56 0.305 0.667 0.225- 21 1.81
57 0.066 0.545 0.316- 13 2.11 2 2.11
58 0.185 0.795 0.316- 10 2.11 13 2.11
59 0.310 0.892 0.020- 4 2.10 15 2.13
60 0.440 0.642 0.020- 15 2.10 12 2.12
61 0.588 0.981 0.112- 18 1.79 15 2.61
62 0.661 0.731 0.112- 23 1.79 16 2.61
63 0.851 0.580 0.128- 24 1.86 16 2.28
64 0.899 0.830 0.128- 23 1.86 11 2.28
65 0.557 0.652 0.205- 22 1.84 9 2.28
66 0.694 0.902 0.205- 23 1.84 14 2.28
67 0.946 0.917 0.225- 20 1.81
68 0.805 0.667 0.225- 23 1.81
69 0.566 0.545 0.316- 9 2.11 6 2.11
70 0.685 0.795 0.316- 14 2.11 9 2.11
71 0.810 0.892 0.020- 8 2.10 11 2.13
72 0.940 0.642 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)
0.551312600 0.511149360 0.291383750
0.051324880 0.238863120 0.291406810
0.351735300 0.988152960 0.042617830
0.851667820 0.261761290 0.042603990
0.551324940 0.011157210 0.291382270
0.051322400 0.738855140 0.291403170
0.351745200 0.488147370 0.042617530
0.851663760 0.761764930 0.042599660
0.460606620 0.263724790 0.167893080
0.960534400 0.486258920 0.167913840
0.460594880 0.763735020 0.167885490
0.960503780 0.986252860 0.167903200
0.037758120 0.088394120 0.111883560
0.537707420 0.161436840 0.111890760
0.840744600 0.351219870 0.128374410
0.340940960 0.398849840 0.128394670
0.696894420 0.056543830 0.204801890
0.197006360 0.193548690 0.204801490
0.165215120 0.445517490 0.224895620
0.665130220 0.304647560 0.224883430
0.910675100 0.065502000 0.316468430
0.410716140 0.184518030 0.316469460
0.216478020 0.310162360 0.019999890
0.716646620 0.439710750 0.019988070
0.037773400 0.588399300 0.111874820
0.537695160 0.661432440 0.111890830
0.840722180 0.851216620 0.128368220
0.340912320 0.898850120 0.128392010
0.696905200 0.556549850 0.204803860
0.196988820 0.693547660 0.204797250
0.165215400 0.945502930 0.224896270
0.665121040 0.804657690 0.224877710
0.910674660 0.565506150 0.316471600
0.410709480 0.684523210 0.316463810
0.216471020 0.810167490 0.019996080
0.716641680 0.939712170 0.019985260
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: 3 3 1
Generating k-lattice:
Cartesian coordinates Fractional coordinates (reciprocal lattice)
0.030872201 0.000000000 0.000000000 0.333333333 0.000000000 0.000000000
0.000000000 0.031022181 0.000000000 0.000000000 0.333333333 0.000000000
0.000000000 0.000000000 0.041560341 0.000000000 0.000000000 1.000000000
Length of vectors
0.030872201 0.031022181 0.041560341
Shift w.r.t. Gamma in fractional coordinates (k-lattice)
0.000000000 0.000000000 0.000000000
Subroutine IBZKPT returns following result:
===========================================
Found 5 irreducible k-points:
Following reciprocal coordinates:
Coordinates Weight
0.000000 0.000000 0.000000 1.000000
0.333333 0.000000 0.000000 2.000000
0.000000 0.333333 0.000000 2.000000
0.333333 0.333333 0.000000 2.000000
-0.333333 0.333333 0.000000 2.000000
Following cartesian coordinates:
Coordinates Weight
0.000000 0.000000 0.000000 1.000000
0.030872 0.000000 0.000000 2.000000
0.000000 0.031022 0.000000 2.000000
0.030872 0.031022 0.000000 2.000000
-0.030872 0.031022 0.000000 2.000000
--------------------------------------------------------------------------------------------------------
Dimension of arrays:
k-points NKPTS = 5 k-points in BZ NKDIM = 5 number of bands NBANDS= 1152
number of dos NEDOS = 3000 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_sp
POSCAR = Bi2WO6_1_001_sp
Startparameter for this run:
NWRITE = 1 write-flag & timer
PREC = normal normal or accurate (medium, high low for compatibility)
ISTART = 0 job : 0-new 1-cont 2-samecut
ICHARG = 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= -5 # 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 = 68 algorithm
LDIAG = T sub-space diagonalisation (order eigenvalues)
LSUBROT= F optimize rotation matrix (better conditioning)
TURBO = 0 0=normal 1=particle mesh
IRESTART = 0 0=no restart 2=restart with 2 vectors
NREBOOT = 0 no. of reboots
NMIN = 0 reboot dimension
EREF = 0.00 reference energy to select bands
IMIX = 4 mixing-type and parameters
AMIX = 0.40; BMIX = 1.00
AMIX_MAG = 1.60; BMIX_MAG = 1.00
AMIN = 0.10
WC = 100.; INIMIX= 1; MIXPRE= 1; MAXMIX= -45
Intra band minimization:
WEIMIN = 0.0000 energy-eigenvalue tresh-hold
EBREAK = 0.22E-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 = F write WAVECAR
LDOWNSAMPLE = F k-point downsampling of WAVECAR
LCHARG = F write CHGCAR
LVTOT = F write LOCPOT, total local potential
LVHAR = F write LOCPOT, Hartree potential only
LELF = F write electronic localiz. function (ELF)
LORBIT = 0 0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes
Dipole corrections
LMONO = F monopole corrections only (constant potential shift)
LDIPOL = F correct potential (dipole corrections)
IDIPOL = 0 1-x, 2-y, 3-z, 4-all directions
EPSILON= 1.0000000 bulk dielectric constant
Exchange correlation treatment:
GGA = -- GGA type
LEXCH = 8 internal setting for exchange type
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
RMM-DIIS sequential band-by-band and
variant of blocked Davidson during initial phase
perform sub-space diagonalisation
before iterative eigenvector-optimisation
no mixing
using additional bands 832
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
k-points in units of 2pi/SCALE and weight: Automatic mesh
0.00000000 0.00000000 0.00000000 0.111
0.03087220 0.00000000 0.00000000 0.222
0.00000000 0.03102218 0.00000000 0.222
0.03087220 0.03102218 0.00000000 0.222
-0.03087220 0.03102218 0.00000000 0.222
k-points in reciprocal lattice and weights: Automatic mesh
0.00000000 0.00000000 0.00000000 0.111
0.33333333 0.00000000 0.00000000 0.222
0.00000000 0.33333333 0.00000000 0.222
0.33333333 0.33333333 0.00000000 0.222
-0.33333333 0.33333333 0.00000000 0.222
position of ions in fractional coordinates (direct lattice)
0.51114936 0.22434370 0.29138375
0.23886312 0.47433756 0.29140681
0.98815296 0.32413235 0.04261783
0.26176129 0.07416609 0.04260399
0.01115721 0.22433753 0.29138227
0.73885514 0.47433880 0.29140317
0.48814737 0.32412740 0.04261753
0.76176493 0.07416812 0.04259966
0.51114936 0.72434370 0.29138375
0.23886312 0.97433756 0.29140681
0.98815296 0.82413235 0.04261783
0.26176129 0.57416609 0.04260399
0.01115721 0.72433753 0.29138227
0.73885514 0.97433880 0.29140317
0.48814737 0.82412740 0.04261753
0.76176493 0.57416812 0.04259966
0.26372479 0.26969669 0.16789308
0.48625892 0.01973280 0.16791384
0.76373502 0.26970256 0.16788549
0.98625286 0.01974811 0.16790320
0.26372479 0.76969669 0.16789308
0.48625892 0.51973280 0.16791384
0.76373502 0.76970256 0.16788549
0.98625286 0.51974811 0.16790320
0.08839412 0.48112094 0.11188356
0.16143684 0.23114629 0.11189076
0.35121987 0.07962770 0.12837441
0.39884984 0.32952952 0.12839467
0.05654383 0.15155279 0.20480189
0.19354869 0.40149682 0.20480149
0.44551749 0.41739244 0.22489562
0.30464756 0.16743489 0.22488343
0.06550200 0.04466245 0.31646843
0.18451803 0.29464193 0.31646946
0.31016236 0.39176099 0.01999989
0.43971075 0.14167669 0.01998807
0.58839930 0.48111330 0.11187482
0.66143244 0.23115242 0.11189083
0.85121662 0.07963891 0.12836822
0.89885012 0.32954384 0.12839201
0.55654985 0.15154740 0.20480386
0.69354766 0.40150559 0.20479725
0.94550293 0.41739230 0.22489627
0.80465769 0.16743948 0.22487771
0.56550615 0.04466267 0.31647160
0.68452321 0.29464526 0.31646381
0.81016749 0.39176449 0.01999608
0.93971217 0.14167916 0.01998526
0.08839412 0.98112094 0.11188356
0.16143684 0.73114629 0.11189076
0.35121987 0.57962770 0.12837441
0.39884984 0.82952952 0.12839467
0.05654383 0.65155279 0.20480189
0.19354869 0.90149682 0.20480149
0.44551749 0.91739244 0.22489562
0.30464756 0.66743489 0.22488343
0.06550200 0.54466245 0.31646843
0.18451803 0.79464193 0.31646946
0.31016236 0.89176099 0.01999989
0.43971075 0.64167669 0.01998807
0.58839930 0.98111330 0.11187482
0.66143244 0.73115242 0.11189083
0.85121662 0.57963891 0.12836822
0.89885012 0.82954384 0.12839201
0.55654985 0.65154740 0.20480386
0.69354766 0.90150559 0.20479725
0.94550293 0.91739230 0.22489627
0.80465769 0.66743948 0.22487771
0.56550615 0.54466267 0.31647160
0.68452321 0.79464526 0.31646381
0.81016749 0.89176449 0.01999608
0.93971217 0.64167916 0.01998526
position of ions in cartesian coordinates (Angst):
5.51898187 2.41057306 7.01110096
2.57905288 5.09675708 7.01165582
10.66928514 3.48280210 1.02544465
2.82628900 0.79691464 1.02511164
0.12046663 2.41050676 7.01106535
7.97756672 5.09677041 7.01156823
5.27062478 3.48274891 1.02543744
8.22492830 0.79693645 1.02500746
5.51898187 7.78307306 7.01110096
2.57905288 10.46925708 7.01165582
10.66928514 8.85530210 1.02544465
2.82628900 6.16941464 1.02511164
0.12046663 7.78300676 7.01106535
7.97756672 10.46927041 7.01156823
5.27062478 8.85524891 1.02543744
8.22492830 6.16943645 1.02500746
2.84748930 2.89789093 4.03974256
5.25023481 0.21202894 4.04024207
8.24619976 2.89795401 4.03955993
10.64876938 0.21219344 4.03998606
2.84748930 8.27039093 4.03974256
5.25023481 5.58452894 4.04024207
8.24619976 8.27045401 4.03955993
10.64876938 5.58469344 4.03998606
0.95440899 5.16964450 2.69207509
1.74306585 2.48366689 2.69224833
3.79219118 0.85559964 3.08886803
4.30646149 3.54079469 3.08935551
0.61051504 1.62843473 4.92782020
2.08978392 4.31408333 4.92781057
4.81034144 4.48488177 5.41130347
3.28934063 1.79908789 5.41101016
0.70723819 0.47989803 7.61467348
1.99227807 3.16592754 7.61469826
3.34888503 4.20947184 0.48122535
4.74764491 1.52231603 0.48094095
6.35306492 5.16956241 2.69186479
7.14161834 2.48373275 2.69225002
9.19075609 0.85572009 3.08871909
9.70506452 3.54094856 3.08929151
6.00918004 1.62837681 4.92786760
7.48837279 4.31417756 4.92770855
10.20878424 4.48488026 5.41131911
8.68805001 1.79913721 5.41087253
6.10588300 0.47990039 7.61474976
7.39093400 3.16596332 7.61456232
8.74754042 4.20950945 0.48113368
10.14626024 1.52234257 0.48087333
0.95440899 10.54214450 2.69207509
1.74306585 7.85616689 2.69224833
3.79219118 6.22809964 3.08886803
4.30646149 8.91329469 3.08935551
0.61051504 7.00093473 4.92782020
2.08978392 9.68658333 4.92781057
4.81034144 9.85738177 5.41130347
3.28934063 7.17158789 5.41101016
0.70723819 5.85239803 7.61467348
1.99227807 8.53842754 7.61469826
3.34888503 9.58197184 0.48122535
4.74764491 6.89481603 0.48094095
6.35306492 10.54206241 2.69186479
7.14161834 7.85623275 2.69225002
9.19075609 6.22822009 3.08871909
9.70506452 8.91344856 3.08929151
6.00918004 7.00087681 4.92786760
7.48837279 9.68667756 4.92770855
10.20878424 9.85738026 5.41131911
8.68805001 7.17163721 5.41087253
6.10588300 5.85240039 7.61474976
7.39093400 8.53846332 7.61456232
8.74754042 9.58200945 0.48113368
10.14626024 6.89484257 0.48087333
--------------------------------------------------------------------------------------------------------
k-point 1 : 0.0000 0.0000 0.0000 plane waves: 50743
k-point 2 : 0.3333 0.0000 0.0000 plane waves: 50717
k-point 3 : 0.0000 0.3333 0.0000 plane waves: 50725
k-point 4 : 0.3333 0.3333 0.0000 plane waves: 50723
k-point 5 : -0.3333 0.3333 0.0000 plane waves: 50723
maximum and minimum number of plane-waves per node : 4254 4205
maximum number of plane-waves: 50743
maximum index in each direction:
IXMAX= 17 IYMAX= 17 IZMAX= 39
IXMIN= -17 IYMIN= -17 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 70 to avoid them
WARNING: aliasing errors must be expected set NGY to 70 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 157086. kBytes
=======================================================================
base : 30000. kBytes
nonl-proj : 14016. kBytes
fftplans : 6527. kBytes
grid : 7193. kBytes
one-center: 186. kBytes
wavefun : 99164. kBytes
initial charge density was supplied:
number of electron 640.0000029 magnetization 0.0000000
keeping initial charge density in first step
--------------------------------------------------------------------------------------------------------
Maximum index for augmentation-charges 2103 (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 : 23560
total energy-change (2. order) : 0.5841647E+04 (-0.2232425E+05)
number of electron 640.0000029 magnetization 0.0000000
augmentation part 640.0000029 magnetization 0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225709.58806388
-Hartree energ DENC = -286955.42538546
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2597.11760568
PAW double counting = 78035.30668480 -77487.94341347
entropy T*S EENTRO = -0.02865594
eigenvalues EBANDS = -4065.11751175
atomic energy EATOM = 67020.37147523
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = 5841.64723537 eV
energy without entropy = 5841.67589131 energy(sigma->0) = 5841.66156334
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 2) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 23752
total energy-change (2. order) :-0.5642464E+04 (-0.5262322E+04)
number of electron 640.0000029 magnetization 0.0000000
augmentation part 640.0000029 magnetization 0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225709.58806388
-Hartree energ DENC = -286955.42538546
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2597.11760568
PAW double counting = 78035.30668480 -77487.94341347
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -9707.61020961
atomic energy EATOM = 67020.37147523
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = 199.18319344 eV
energy without entropy = 199.18319344 energy(sigma->0) = 199.18319344
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 3) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 26152
total energy-change (2. order) :-0.6845907E+03 (-0.6593695E+03)
number of electron 640.0000029 magnetization 0.0000000
augmentation part 640.0000029 magnetization 0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225709.58806388
-Hartree energ DENC = -286955.42538546
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2597.11760568
PAW double counting = 78035.30668480 -77487.94341347
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10392.20095351
atomic energy EATOM = 67020.37147523
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -485.40755046 eV
energy without entropy = -485.40755046 energy(sigma->0) = -485.40755046
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 4) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 27168
total energy-change (2. order) :-0.2487568E+02 (-0.2480780E+02)
number of electron 640.0000029 magnetization 0.0000000
augmentation part 640.0000029 magnetization 0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225709.58806388
-Hartree energ DENC = -286955.42538546
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2597.11760568
PAW double counting = 78035.30668480 -77487.94341347
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10417.07663361
atomic energy EATOM = 67020.37147523
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -510.28323055 eV
energy without entropy = -510.28323055 energy(sigma->0) = -510.28323055
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 5) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 33088
total energy-change (2. order) :-0.6710134E+00 (-0.6707810E+00)
number of electron 640.0000029 magnetization 0.0000000
augmentation part 640.0000029 magnetization 0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225709.58806388
-Hartree energ DENC = -286955.42538546
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2597.11760568
PAW double counting = 78035.30668480 -77487.94341347
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10417.74764699
atomic energy EATOM = 67020.37147523
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -510.95424393 eV
energy without entropy = -510.95424393 energy(sigma->0) = -510.95424393
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 6) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 36067
total energy-change (2. order) :-0.1528758E-01 (-0.1528758E-01)
number of electron 640.0000029 magnetization 0.0000000
augmentation part 640.0000029 magnetization 0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225709.58806388
-Hartree energ DENC = -286955.42538546
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2597.11760568
PAW double counting = 78035.30668480 -77487.94341347
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10417.76293456
atomic energy EATOM = 67020.37147523
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -510.96953151 eV
energy without entropy = -510.96953151 energy(sigma->0) = -510.96953151
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 7) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 44056
total energy-change (2. order) :-0.7346908E-02 (-0.7468671E-02)
number of electron 640.0000029 magnetization 0.0000000
augmentation part 640.0000029 magnetization 0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225709.58806388
-Hartree energ DENC = -286955.42538546
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2597.11760568
PAW double counting = 78035.30668480 -77487.94341347
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10417.77028147
atomic energy EATOM = 67020.37147523
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -510.97687842 eV
energy without entropy = -510.97687842 energy(sigma->0) = -510.97687842
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 8) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 42949
total energy-change (2. order) :-0.5102839E-03 (-0.4965176E-03)
number of electron 640.0000029 magnetization 0.0000000
augmentation part 640.0000029 magnetization 0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225709.58806388
-Hartree energ DENC = -286955.42538546
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2597.11760568
PAW double counting = 78035.30668480 -77487.94341347
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10417.77079176
atomic energy EATOM = 67020.37147523
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -510.97738870 eV
energy without entropy = -510.97738870 energy(sigma->0) = -510.97738870
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 9) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 43849
total energy-change (2. order) :-0.1142874E-03 (-0.1141633E-03)
number of electron 640.0000029 magnetization 0.0000000
augmentation part 640.0000029 magnetization 0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225709.58806388
-Hartree energ DENC = -286955.42538546
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2597.11760568
PAW double counting = 78035.30668480 -77487.94341347
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10417.77090604
atomic energy EATOM = 67020.37147523
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -510.97750299 eV
energy without entropy = -510.97750299 energy(sigma->0) = -510.97750299
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 10) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 42389
total energy-change (2. order) :-0.1128920E-04 (-0.1162827E-04)
number of electron 640.0000029 magnetization 0.0000000
augmentation part 640.0000029 magnetization 0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225709.58806388
-Hartree energ DENC = -286955.42538546
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2597.11760568
PAW double counting = 78035.30668480 -77487.94341347
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10417.77091733
atomic energy EATOM = 67020.37147523
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -510.97751428 eV
energy without entropy = -510.97751428 energy(sigma->0) = -510.97751428
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 11) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 43894
total energy-change (2. order) :-0.2770161E-05 (-0.2771057E-05)
number of electron 640.0000029 magnetization 0.0000000
augmentation part 640.0000029 magnetization 0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225709.58806388
-Hartree energ DENC = -286955.42538546
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2597.11760568
PAW double counting = 78035.30668480 -77487.94341347
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10417.77092010
atomic energy EATOM = 67020.37147523
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -510.97751705 eV
energy without entropy = -510.97751705 energy(sigma->0) = -510.97751705
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 12) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 41814
total energy-change (2. order) :-0.3874302E-06 (-0.3985566E-06)
number of electron 640.0000029 magnetization 0.0000000
augmentation part 640.0000029 magnetization 0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225709.58806388
-Hartree energ DENC = -286955.42538546
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2597.11760568
PAW double counting = 78035.30668480 -77487.94341347
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10417.77092049
atomic energy EATOM = 67020.37147523
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -510.97751743 eV
energy without entropy = -510.97751743 energy(sigma->0) = -510.97751743
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 13) ---------------------------------------
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 37
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 39
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 45
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 47
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 49
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 51
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 44
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 49
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 51
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 39
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 40
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 39
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 45
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 40
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 51
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 45
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 43
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 45
--------------------------------------------
eigenvalue-minimisations : 40178
total energy-change (2. order) :-0.9844371E-07 (-0.9974272E-07)
number of electron 640.0000029 magnetization 0.0000000
augmentation part 640.0000029 magnetization 0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225709.58806388
-Hartree energ DENC = -286955.42538546
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2597.11760568
PAW double counting = 78035.30668480 -77487.94341347
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10417.77092059
atomic energy EATOM = 67020.37147523
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -510.97751753 eV
energy without entropy = -510.97751753 energy(sigma->0) = -510.97751753
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 14) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 36483
total energy-change (2. order) :-0.1669105E-07 (-0.1767480E-07)
number of electron 640.0000029 magnetization 0.0000000
augmentation part 640.0000029 magnetization 0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225709.58806388
-Hartree energ DENC = -286955.42538546
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2597.11760568
PAW double counting = 78035.30668480 -77487.94341347
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10417.77092061
atomic energy EATOM = 67020.37147523
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -510.97751755 eV
energy without entropy = -510.97751755 energy(sigma->0) = -510.97751755
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 15) ---------------------------------------
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 126
--------------------------------------------
eigenvalue-minimisations : 34192
total energy-change (2. order) :-0.4481990E-08 (-0.4694532E-08)
number of electron 640.0000029 magnetization 0.0000000
augmentation part 640.0000029 magnetization 0.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 987.77837239
Ewald energy TEWEN = 225709.58806388
-Hartree energ DENC = -286955.42538546
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2597.11760568
PAW double counting = 78035.30668480 -77487.94341347
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -10417.77092061
atomic energy EATOM = 67020.37147523
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -510.97751755 eV
energy without entropy = -510.97751755 energy(sigma->0) = -510.97751755
--------------------------------------------------------------------------------------------------------
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)
1-111.9200 2-111.9211 3-111.8676 4-111.8658 5-111.9192
6-111.9200 7-111.8669 8-111.8657 9-111.9200 10-111.9211
11-111.8676 12-111.8658 13-111.9192 14-111.9200 15-111.8669
16-111.8657 17 -74.4528 18 -74.4527 19 -74.4518 20 -74.4531
21 -74.4528 22 -74.4527 23 -74.4518 24 -74.4531 25 -76.2157
26 -76.2117 27 -76.5916 28 -76.5928 29 -76.6415 30 -76.6418
31 -75.9879 32 -75.9870 33 -75.5451 34 -75.5456 35 -75.5382
36 -75.5380 37 -76.2130 38 -76.2119 39 -76.5928 40 -76.5937
41 -76.6413 42 -76.6406 43 -75.9857 44 -75.9857 45 -75.5454
46 -75.5455 47 -75.5383 48 -75.5384 49 -76.2157 50 -76.2117
51 -76.5916 52 -76.5928 53 -76.6415 54 -76.6418 55 -75.9879
56 -75.9870 57 -75.5451 58 -75.5456 59 -75.5382 60 -75.5380
61 -76.2130 62 -76.2119 63 -76.5928 64 -76.5937 65 -76.6413
66 -76.6406 67 -75.9857 68 -75.9857 69 -75.5454 70 -75.5455
71 -75.5383 72 -75.5384
E-fermi : -1.6954 XC(G=0): -4.5466 alpha+bet : -4.3546
Fermi energy: -1.6954181919
spin component 1
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 -76.4225 1.00000
2 -76.4223 1.00000
3 -76.4221 1.00000
4 -76.4218 1.00000
5 -76.4216 1.00000
6 -76.4211 1.00000
7 -76.4208 1.00000
8 -76.4206 1.00000
9 -40.7774 1.00000
10 -40.7770 1.00000
11 -40.7736 1.00000
12 -40.7731 1.00000
13 -40.7690 1.00000
14 -40.7685 1.00000
15 -40.7678 1.00000
16 -40.7643 1.00000
17 -40.7580 1.00000
18 -40.7557 1.00000
19 -40.7493 1.00000
20 -40.7492 1.00000
21 -40.7450 1.00000
22 -40.7438 1.00000
23 -40.7436 1.00000
24 -40.7357 1.00000
25 -40.7008 1.00000
26 -40.7004 1.00000
27 -40.6948 1.00000
28 -40.6945 1.00000
29 -40.6920 1.00000
30 -40.6916 1.00000
31 -40.6895 1.00000
32 -40.6861 1.00000
33 -24.0648 1.00000
34 -24.0449 1.00000
35 -24.0410 1.00000
36 -24.0406 1.00000
37 -24.0405 1.00000
38 -24.0336 1.00000
39 -24.0332 1.00000
40 -24.0329 1.00000
41 -24.0142 1.00000
42 -23.9924 1.00000
43 -23.9878 1.00000
44 -23.9868 1.00000
45 -23.9864 1.00000
46 -23.9796 1.00000
47 -23.9785 1.00000
48 -23.9781 1.00000
49 -23.9265 1.00000
50 -23.9225 1.00000
51 -23.8669 1.00000
52 -23.8602 1.00000
53 -23.8536 1.00000
54 -23.8532 1.00000
55 -23.8498 1.00000
56 -23.8495 1.00000
57 -23.8297 1.00000
58 -23.8262 1.00000
59 -23.8194 1.00000
60 -23.8155 1.00000
61 -23.8154 1.00000
62 -23.8146 1.00000
63 -23.8136 1.00000
64 -23.8130 1.00000
65 -23.8007 1.00000
66 -23.8003 1.00000
67 -23.7944 1.00000
68 -23.7941 1.00000
69 -23.7805 1.00000
70 -23.7782 1.00000
71 -23.7733 1.00000
72 -23.7672 1.00000
73 -23.7660 1.00000
74 -23.7609 1.00000
75 -23.7602 1.00000
76 -23.7583 1.00000
77 -23.7573 1.00000
78 -23.7572 1.00000
79 -23.7560 1.00000
80 -23.7551 1.00000
81 -23.7545 1.00000
82 -23.7539 1.00000
83 -23.7530 1.00000
84 -23.7521 1.00000
85 -23.7265 1.00000
86 -23.7233 1.00000
87 -23.7191 1.00000
88 -23.7151 1.00000
89 -23.7139 1.00000
90 -23.7138 1.00000
91 -23.7114 1.00000
92 -23.7104 1.00000
93 -23.7089 1.00000
94 -23.7052 1.00000
95 -23.6818 1.00000
96 -23.6765 1.00000
97 -23.6668 1.00000
98 -23.6637 1.00000
99 -23.6481 1.00000
100 -23.6473 1.00000
101 -23.6460 1.00000
102 -23.6454 1.00000
103 -23.6405 1.00000
104 -23.6282 1.00000
105 -23.6248 1.00000
106 -23.6088 1.00000
107 -23.6062 1.00000
108 -23.6045 1.00000
109 -23.6043 1.00000
110 -23.6027 1.00000
111 -23.5838 1.00000
112 -23.5604 1.00000
113 -20.3347 1.00000
114 -19.9766 1.00000
115 -19.7851 1.00000
116 -19.7844 1.00000
117 -19.7637 1.00000
118 -19.6788 1.00000
119 -19.6785 1.00000
120 -19.5565 1.00000
121 -19.3504 1.00000
122 -19.3501 1.00000
123 -19.3134 1.00000
124 -19.3123 1.00000
125 -19.2866 1.00000
126 -19.2596 1.00000
127 -19.2109 1.00000
128 -19.0787 1.00000
129 -18.9349 1.00000
130 -18.9227 1.00000
131 -18.9119 1.00000
132 -18.9117 1.00000
133 -18.9012 1.00000
134 -18.7558 1.00000
135 -18.7513 1.00000
136 -18.7400 1.00000
137 -18.7391 1.00000
138 -18.6568 1.00000
139 -18.6008 1.00000
140 -18.5914 1.00000
141 -18.4323 1.00000
142 -18.4314 1.00000
143 -18.4291 1.00000
144 -18.4278 1.00000
145 -18.3688 1.00000
146 -18.3570 1.00000
147 -18.2885 1.00000
148 -18.2741 1.00000
149 -18.2232 1.00000
150 -18.2225 1.00000
151 -18.2077 1.00000
152 -18.2062 1.00000
153 -18.1203 1.00000
154 -18.1195 1.00000
155 -18.1117 1.00000
156 -18.1111 1.00000
157 -17.5661 1.00000
158 -17.5435 1.00000
159 -17.5421 1.00000
160 -17.5362 1.00000
161 -11.8332 1.00000
162 -11.7277 1.00000
163 -11.5693 1.00000
164 -11.5413 1.00000
165 -11.0175 1.00000
166 -11.0166 1.00000
167 -10.9666 1.00000
168 -10.9662 1.00000
169 -10.8669 1.00000
170 -10.8652 1.00000
171 -10.8198 1.00000
172 -10.8193 1.00000
173 -10.1684 1.00000
174 -10.0972 1.00000
175 -10.0301 1.00000
176 -9.9188 1.00000
177 -7.5486 1.00000
178 -7.3591 1.00000
179 -7.3585 1.00000
180 -7.3552 1.00000
181 -7.3023 1.00000
182 -7.2783 1.00000
183 -7.1463 1.00000
184 -7.1458 1.00000
185 -6.9647 1.00000
186 -6.9518 1.00000
187 -6.9504 1.00000
188 -6.9485 1.00000
189 -6.8177 1.00000
190 -6.8055 1.00000
191 -6.8047 1.00000
192 -6.6789 1.00000
193 -6.5831 1.00000
194 -6.5830 1.00000
195 -6.5828 1.00000
196 -6.4985 1.00000
197 -6.4815 1.00000
198 -6.3967 1.00000
199 -6.3567 1.00000
200 -6.3558 1.00000
201 -6.3217 1.00000
202 -6.3142 1.00000
203 -6.2567 1.00000
204 -6.2549 1.00000
205 -6.1759 1.00000
206 -6.1743 1.00000
207 -6.0623 1.00000
208 -6.0458 1.00000
209 -5.8793 1.00000
210 -5.8529 1.00000
211 -5.8520 1.00000
212 -5.8470 1.00000
213 -5.8467 1.00000
214 -5.8409 1.00000
215 -5.8153 1.00000
216 -5.8145 1.00000
217 -5.6782 1.00000
218 -5.6775 1.00000
219 -5.6396 1.00000
220 -5.5880 1.00000
221 -5.4672 1.00000
222 -5.3674 1.00000
223 -5.2909 1.00000
224 -5.2893 1.00000
225 -5.2564 1.00000
226 -5.2494 1.00000
227 -5.1561 1.00000
228 -5.1355 1.00000
229 -5.0499 1.00000
230 -5.0497 1.00000
231 -4.9948 1.00000
232 -4.9300 1.00000
233 -4.8941 1.00000
234 -4.8856 1.00000
235 -4.8667 1.00000
236 -4.8644 1.00000
237 -4.8606 1.00000
238 -4.7516 1.00000
239 -4.5878 1.00000
240 -4.5867 1.00000
241 -4.5255 1.00000
242 -4.4660 1.00000
243 -4.4652 1.00000
244 -4.4446 1.00000
245 -4.4440 1.00000
246 -4.3822 1.00000
247 -4.1790 1.00000
248 -4.1769 1.00000
249 -4.1578 1.00000
250 -4.1408 1.00000
251 -4.0223 1.00000
252 -4.0209 1.00000
253 -3.9956 1.00000
254 -3.9598 1.00000
255 -3.9192 1.00000
256 -3.8705 1.00000
257 -3.8690 1.00000
258 -3.8350 1.00000
259 -3.7890 1.00000
260 -3.7342 1.00000
261 -3.7221 1.00000
262 -3.7219 1.00000
263 -3.6772 1.00000
264 -3.5913 1.00000
265 -3.5910 1.00000
266 -3.5424 1.00000
267 -3.5415 1.00000
268 -3.5045 1.00000
269 -3.4965 1.00000
270 -3.4578 1.00000
271 -3.4572 1.00000
272 -3.3466 1.00000
273 -3.2927 1.00000
274 -3.2639 1.00000
275 -3.2534 1.00000
276 -3.2530 1.00000
277 -3.2461 1.00000
278 -3.2451 1.00000
279 -3.1963 1.00000
280 -3.1349 1.00000
281 -3.1345 1.00000
282 -3.1334 1.00000
283 -3.1038 1.00000
284 -3.1034 1.00000
285 -3.0842 1.00000
286 -3.0557 1.00000
287 -2.9480 1.00000
288 -2.9425 1.00000
289 -2.9418 1.00000
290 -2.8937 1.00000
291 -2.8274 1.00000
292 -2.8266 1.00000
293 -2.7967 1.00000
294 -2.7759 1.00000
295 -2.7741 1.00000
296 -2.7735 1.00000
297 -2.7608 1.00000
298 -2.7395 1.00000
299 -2.7201 1.00000
300 -2.7194 1.00000
301 -2.7193 1.00000
302 -2.6782 1.00000
303 -2.6347 1.00000
304 -2.6344 1.00000
305 -2.5343 1.00000
306 -2.5337 1.00000
307 -2.4845 1.00000
308 -2.4567 1.00000
309 -2.4521 1.00000
310 -2.4520 1.00000
311 -2.4508 1.00000
312 -2.2804 1.00000
313 -2.2793 1.00000
314 -2.2789 1.00000
315 -2.1786 1.00000
316 -2.1533 1.00000
317 -2.1471 1.00000
318 -2.1449 1.00000
319 -2.0975 1.00000
320 -1.9483 1.00000
321 0.5938 0.00000
322 0.9070 0.00000
323 0.9086 0.00000
324 0.9831 0.00000
325 0.9846 0.00000
326 1.0551 0.00000
327 1.0564 0.00000
328 1.0898 0.00000
329 1.2735 0.00000
330 1.2749 0.00000
331 1.3882 0.00000
332 1.3952 0.00000
333 1.4032 0.00000
334 1.4040 0.00000
335 1.4173 0.00000
336 1.4198 0.00000
337 1.5536 0.00000
338 1.6476 0.00000
339 1.7201 0.00000
340 1.7355 0.00000
341 1.8905 0.00000
342 1.9540 0.00000
343 1.9549 0.00000
344 1.9737 0.00000
345 1.9741 0.00000
346 2.0366 0.00000
347 2.0819 0.00000
348 2.0832 0.00000
349 2.2704 0.00000
350 2.3243 0.00000
351 2.3258 0.00000
352 2.3287 0.00000
353 2.3948 0.00000
354 2.4622 0.00000
355 2.6268 0.00000
356 2.7754 0.00000
357 2.7769 0.00000
358 2.7931 0.00000
359 2.9320 0.00000
360 2.9566 0.00000
361 2.9592 0.00000
362 3.0046 0.00000
363 3.0553 0.00000
364 3.0880 0.00000
365 3.1828 0.00000
366 3.2415 0.00000
367 3.2434 0.00000
368 3.2439 0.00000
369 3.2453 0.00000
370 3.3559 0.00000
371 3.4094 0.00000
372 3.5340 0.00000
373 3.5357 0.00000
374 3.7067 0.00000
375 3.8264 0.00000
376 3.8362 0.00000
377 3.8866 0.00000
378 3.8892 0.00000
379 3.9815 0.00000
380 4.0286 0.00000
381 4.1068 0.00000
382 4.1083 0.00000
383 4.1851 0.00000
384 4.2262 0.00000
385 4.2283 0.00000
386 4.3080 0.00000
387 4.3634 0.00000
388 4.4116 0.00000
389 4.4176 0.00000
390 4.4203 0.00000
391 4.5512 0.00000
392 4.7014 0.00000
393 4.7051 0.00000
394 4.7093 0.00000
395 4.7299 0.00000
396 4.8402 0.00000
397 4.8814 0.00000
398 4.8928 0.00000
399 4.9645 0.00000
400 4.9651 0.00000
401 4.9704 0.00000
402 4.9775 0.00000
403 5.0639 0.00000
404 5.0678 0.00000
405 5.1822 0.00000
406 5.1894 0.00000
407 5.1903 0.00000
408 5.2569 0.00000
409 5.3318 0.00000
410 5.3456 0.00000
411 5.3488 0.00000
412 5.4392 0.00000
413 5.4785 0.00000
414 5.5144 0.00000
415 5.5151 0.00000
416 5.5765 0.00000
417 5.6685 0.00000
418 5.7310 0.00000
419 5.7322 0.00000
420 5.7522 0.00000
421 5.7854 0.00000
422 5.7960 0.00000
423 5.7962 0.00000
424 5.8555 0.00000
425 6.0193 0.00000
426 6.0199 0.00000
427 6.0812 0.00000
428 6.0814 0.00000
429 6.1883 0.00000
430 6.2343 0.00000
431 6.2347 0.00000
432 6.3350 0.00000
433 6.3352 0.00000
434 6.6010 0.00000
435 6.6205 0.00000
436 6.6206 0.00000
437 6.6442 0.00000
438 6.7556 0.00000
439 6.7558 0.00000
440 6.8731 0.00000
441 6.8738 0.00000
442 7.0556 0.00000
443 7.1874 0.00000
444 7.4595 0.00000
445 7.4619 0.00000
446 7.4899 0.00000
447 7.5468 0.00000
448 7.5472 0.00000
449 7.5768 0.00000
450 7.5943 0.00000
451 7.6620 0.00000
452 7.6781 0.00000
453 7.6787 0.00000
454 7.7134 0.00000
455 7.7342 0.00000
456 7.7344 0.00000
457 7.8471 0.00000
458 7.9404 0.00000
459 7.9798 0.00000
460 7.9803 0.00000
461 8.1152 0.00000
462 8.1959 0.00000
463 8.3100 0.00000
464 8.3436 0.00000
465 8.4529 0.00000
466 8.4735 0.00000
467 8.4744 0.00000
468 8.5919 0.00000
469 8.5931 0.00000
470 8.6709 0.00000
471 8.6735 0.00000
472 8.7033 0.00000
473 8.7043 0.00000
474 8.7045 0.00000
475 8.7531 0.00000
476 8.8469 0.00000
477 8.8948 0.00000
478 8.8962 0.00000
479 8.8966 0.00000
480 9.0158 0.00000
481 9.0497 0.00000
482 9.0724 0.00000
483 9.0921 0.00000
484 9.0953 0.00000
485 9.1253 0.00000
486 9.2451 0.00000
487 9.2503 0.00000
488 9.2509 0.00000
489 9.2663 0.00000
490 9.2691 0.00000
491 9.3422 0.00000
492 9.3424 0.00000
493 9.3982 0.00000
494 9.4002 0.00000
495 9.4274 0.00000
496 9.4647 0.00000
497 9.4653 0.00000
498 9.4766 0.00000
499 9.4780 0.00000
500 9.5339 0.00000
501 9.5958 0.00000
502 9.6724 0.00000
503 9.6728 0.00000
504 9.7403 0.00000
505 9.7710 0.00000
506 9.7936 0.00000
507 9.8552 0.00000
508 9.9711 0.00000
509 9.9714 0.00000
510 9.9725 0.00000
511 10.0039 0.00000
512 10.0698 0.00000
513 10.0864 0.00000
514 10.0876 0.00000
515 10.1997 0.00000
516 10.2596 0.00000
517 10.2611 0.00000
518 10.3029 0.00000
519 10.3072 0.00000
520 10.3552 0.00000
521 10.3647 0.00000
522 10.3649 0.00000
523 10.3737 0.00000
524 10.4096 0.00000
525 10.4241 0.00000
526 10.4282 0.00000
527 10.4287 0.00000
528 10.4800 0.00000
529 10.4809 0.00000
530 10.5299 0.00000
531 10.5776 0.00000
532 10.6056 0.00000
533 10.6310 0.00000
534 10.6314 0.00000
535 10.6907 0.00000
536 10.7020 0.00000
537 10.7533 0.00000
538 10.7540 0.00000
539 10.7787 0.00000
540 10.8318 0.00000
541 10.8364 0.00000
542 10.8372 0.00000
543 10.8653 0.00000
544 10.8657 0.00000
545 10.9290 0.00000
546 10.9730 0.00000
547 10.9737 0.00000
548 11.0173 0.00000
549 11.0297 0.00000
550 11.0375 0.00000
551 11.0380 0.00000
552 11.0853 0.00000
553 11.1114 0.00000
554 11.2112 0.00000
555 11.2371 0.00000
556 11.2381 0.00000
557 11.2579 0.00000
558 11.3200 0.00000
559 11.3217 0.00000
560 11.3669 0.00000
561 11.4179 0.00000
562 11.4601 0.00000
563 11.4905 0.00000
564 11.5051 0.00000
565 11.6075 0.00000
566 11.6411 0.00000
567 11.6448 0.00000
568 11.6667 0.00000
569 11.6668 0.00000
570 11.7570 0.00000
571 11.7942 0.00000
572 11.7946 0.00000
573 11.8314 0.00000
574 11.8320 0.00000
575 11.9528 0.00000
576 12.0097 0.00000
577 12.0186 0.00000
578 12.0188 0.00000
579 12.0322 0.00000
580 12.0717 0.00000
581 12.0724 0.00000
582 12.0788 0.00000
583 12.1127 0.00000
584 12.1492 0.00000
585 12.2006 0.00000
586 12.2014 0.00000
587 12.2414 0.00000
588 12.2421 0.00000
589 12.2425 0.00000
590 12.3065 0.00000
591 12.3099 0.00000
592 12.3122 0.00000
593 12.3849 0.00000
594 12.4381 0.00000
595 12.4881 0.00000
596 12.5241 0.00000
597 12.5542 0.00000
598 12.5779 0.00000
599 12.5782 0.00000
600 12.6016 0.00000
601 12.6618 0.00000
602 12.7432 0.00000
603 12.8324 0.00000
604 12.8325 0.00000
605 12.8326 0.00000
606 12.8699 0.00000
607 12.9266 0.00000
608 12.9332 0.00000
609 12.9347 0.00000
610 12.9780 0.00000
611 13.0672 0.00000
612 13.0690 0.00000
613 13.0697 0.00000
614 13.0972 0.00000
615 13.0988 0.00000
616 13.0992 0.00000
617 13.2197 0.00000
618 13.2249 0.00000
619 13.2279 0.00000
620 13.2290 0.00000
621 13.3405 0.00000
622 13.3439 0.00000
623 13.4134 0.00000
624 13.4620 0.00000
625 13.5021 0.00000
626 13.5478 0.00000
627 13.5486 0.00000
628 13.5627 0.00000
629 13.5785 0.00000
630 13.5902 0.00000
631 13.5914 0.00000
632 13.6071 0.00000
633 13.6075 0.00000
634 13.7568 0.00000
635 13.7777 0.00000
636 13.7781 0.00000
637 13.7987 0.00000
638 13.8298 0.00000
639 13.8302 0.00000
640 13.9299 0.00000
641 13.9302 0.00000
642 13.9316 0.00000
643 13.9660 0.00000
644 13.9719 0.00000
645 14.0254 0.00000
646 14.0472 0.00000
647 14.0754 0.00000
648 14.0767 0.00000
649 14.0965 0.00000
650 14.0980 0.00000
651 14.1574 0.00000
652 14.1916 0.00000
653 14.2681 0.00000
654 14.2977 0.00000
655 14.2980 0.00000
656 14.3597 0.00000
657 14.4051 0.00000
658 14.4181 0.00000
659 14.4246 0.00000
660 14.4748 0.00000
661 14.5506 0.00000
662 14.5513 0.00000
663 14.5612 0.00000
664 14.5618 0.00000
665 14.5682 0.00000
666 14.5854 0.00000
667 14.6160 0.00000
668 14.7081 0.00000
669 14.7169 0.00000
670 14.7724 0.00000
671 14.8014 0.00000
672 14.8020 0.00000
673 14.8278 0.00000
674 14.8282 0.00000
675 14.8413 0.00000
676 14.8703 0.00000
677 15.0155 0.00000
678 15.0543 0.00000
679 15.0728 0.00000
680 15.0731 0.00000
681 15.1061 0.00000
682 15.1097 0.00000
683 15.1104 0.00000
684 15.1107 0.00000
685 15.2155 0.00000
686 15.2481 0.00000
687 15.2631 0.00000
688 15.2632 0.00000
689 15.2923 0.00000
690 15.3226 0.00000
691 15.3228 0.00000
692 15.3411 0.00000
693 15.3728 0.00000
694 15.3741 0.00000
695 15.4015 0.00000
696 15.4505 0.00000
697 15.4840 0.00000
698 15.4907 0.00000
699 15.4918 0.00000
700 15.5144 0.00000
701 15.5150 0.00000
702 15.5375 0.00000
703 15.5418 0.00000
704 15.5701 0.00000
705 15.6381 0.00000
706 15.6674 0.00000
707 15.6910 0.00000
708 15.6924 0.00000
709 15.7209 0.00000
710 15.7221 0.00000
711 15.7302 0.00000
712 15.7358 0.00000
713 15.7865 0.00000
714 15.8314 0.00000
715 15.8331 0.00000
716 15.8870 0.00000
717 15.8945 0.00000
718 15.8961 0.00000
719 15.9120 0.00000
720 15.9412 0.00000
721 15.9916 0.00000
722 16.0796 0.00000
723 16.0990 0.00000
724 16.1003 0.00000
725 16.1606 0.00000
726 16.1622 0.00000
727 16.2470 0.00000
728 16.2472 0.00000
729 16.2555 0.00000
730 16.2557 0.00000
731 16.3027 0.00000
732 16.3048 0.00000
733 16.3162 0.00000
734 16.3471 0.00000
735 16.3474 0.00000
736 16.3502 0.00000
737 16.3927 0.00000
738 16.3934 0.00000
739 16.4186 0.00000
740 16.4729 0.00000
741 16.4741 0.00000
742 16.5290 0.00000
743 16.5302 0.00000
744 16.5378 0.00000
745 16.6077 0.00000
746 16.6124 0.00000
747 16.6187 0.00000
748 16.6196 0.00000
749 16.6261 0.00000
750 16.6960 0.00000
751 16.7186 0.00000
752 16.7187 0.00000
753 16.7485 0.00000
754 16.7844 0.00000
755 16.7851 0.00000
756 16.8219 0.00000
757 16.8224 0.00000
758 16.8394 0.00000
759 16.8593 0.00000
760 16.8596 0.00000
761 16.9113 0.00000
762 16.9119 0.00000
763 16.9580 0.00000
764 16.9770 0.00000
765 16.9776 0.00000
766 16.9921 0.00000
767 17.0065 0.00000
768 17.0275 0.00000
769 17.0280 0.00000
770 17.1243 0.00000
771 17.1451 0.00000
772 17.1460 0.00000
773 17.1635 0.00000
774 17.2023 0.00000
775 17.2028 0.00000
776 17.2174 0.00000
777 17.2180 0.00000
778 17.2255 0.00000
779 17.2623 0.00000
780 17.2689 0.00000
781 17.3604 0.00000
782 17.3788 0.00000
783 17.3789 0.00000
784 17.3982 0.00000
785 17.4013 0.00000
786 17.4169 0.00000
787 17.4686 0.00000
788 17.4817 0.00000
789 17.4822 0.00000
790 17.4825 0.00000
791 17.4976 0.00000
792 17.4983 0.00000
793 17.5174 0.00000
794 17.5179 0.00000
795 17.5999 0.00000
796 17.6202 0.00000
797 17.6394 0.00000
798 17.6704 0.00000
799 17.6707 0.00000
800 17.6786 0.00000
801 17.7269 0.00000
802 17.7278 0.00000
803 17.8269 0.00000
804 17.8277 0.00000
805 17.8580 0.00000
806 17.8584 0.00000
807 17.8622 0.00000
808 17.8934 0.00000
809 17.8943 0.00000
810 17.9378 0.00000
811 17.9466 0.00000
812 17.9683 0.00000
813 18.0058 0.00000
814 18.0061 0.00000
815 18.0646 0.00000
816 18.1606 0.00000
817 18.1613 0.00000
818 18.1742 0.00000
819 18.1935 0.00000
820 18.1967 0.00000
821 18.1981 0.00000
822 18.2233 0.00000
823 18.2253 0.00000
824 18.2874 0.00000
825 18.4318 0.00000
826 18.4369 0.00000
827 18.4605 0.00000
828 18.4968 0.00000
829 18.4971 0.00000
830 18.4978 0.00000
831 18.4986 0.00000
832 18.5004 0.00000
833 18.5639 0.00000
834 18.6289 0.00000
835 18.6298 0.00000
836 18.6417 0.00000
837 18.6686 0.00000
838 18.6693 0.00000
839 18.6809 0.00000
840 18.6950 0.00000
841 18.6955 0.00000
842 18.7383 0.00000
843 18.7647 0.00000
844 18.8910 0.00000
845 18.9054 0.00000
846 18.9073 0.00000
847 18.9084 0.00000
848 18.9276 0.00000
849 18.9415 0.00000
850 18.9816 0.00000
851 18.9826 0.00000
852 18.9833 0.00000
853 19.0833 0.00000
854 19.1057 0.00000
855 19.1242 0.00000
856 19.1251 0.00000
857 19.1387 0.00000
858 19.1455 0.00000
859 19.1473 0.00000
860 19.2074 0.00000
861 19.2221 0.00000
862 19.2433 0.00000
863 19.2440 0.00000
864 19.3119 0.00000
865 19.3658 0.00000
866 19.3672 0.00000
867 19.3932 0.00000
868 19.3942 0.00000
869 19.4775 0.00000
870 19.4782 0.00000
871 19.4847 0.00000
872 19.4912 0.00000
873 19.5005 0.00000
874 19.5275 0.00000
875 19.6087 0.00000
876 19.6238 0.00000
877 19.6617 0.00000
878 19.6628 0.00000
879 19.6797 0.00000
880 19.6802 0.00000
881 19.6847 0.00000
882 19.6889 0.00000
883 19.7962 0.00000
884 19.8201 0.00000
885 19.8209 0.00000
886 19.8284 0.00000
887 19.8292 0.00000
888 19.8434 0.00000
889 19.9067 0.00000
890 19.9192 0.00000
891 19.9202 0.00000
892 20.0128 0.00000
893 20.0362 0.00000
894 20.0416 0.00000
895 20.0804 0.00000
896 20.0994 0.00000
897 20.1058 0.00000
898 20.1065 0.00000
899 20.1804 0.00000
900 20.1811 0.00000
901 20.2192 0.00000
902 20.2309 0.00000
903 20.2438 0.00000
904 20.2877 0.00000
905 20.3082 0.00000
906 20.3142 0.00000
907 20.3151 0.00000
908 20.3158 0.00000
909 20.3169 0.00000
910 20.3506 0.00000
911 20.3904 0.00000
912 20.4592 0.00000
913 20.4633 0.00000
914 20.4635 0.00000
915 20.4653 0.00000
916 20.4660 0.00000
917 20.5168 0.00000
918 20.5221 0.00000
919 20.5597 0.00000
920 20.6093 0.00000
921 20.6376 0.00000
922 20.6379 0.00000
923 20.6499 0.00000
924 20.6504 0.00000
925 20.6573 0.00000
926 20.6756 0.00000
927 20.6867 0.00000
928 20.6872 0.00000
929 20.7347 0.00000
930 20.7354 0.00000
931 20.7356 0.00000
932 20.7602 0.00000
933 20.7771 0.00000
934 20.7775 0.00000
935 20.8350 0.00000
936 20.8693 0.00000
937 20.8759 0.00000
938 20.8917 0.00000
939 20.8933 0.00000
940 20.9638 0.00000
941 20.9839 0.00000
942 20.9844 0.00000
943 21.0208 0.00000
944 21.0631 0.00000
945 21.0638 0.00000
946 21.1177 0.00000
947 21.1193 0.00000
948 21.1427 0.00000
949 21.1585 0.00000
950 21.1588 0.00000
951 21.2400 0.00000
952 21.2402 0.00000
953 21.2418 0.00000
954 21.2434 0.00000
955 21.2449 0.00000
956 21.2757 0.00000
957 21.2872 0.00000
958 21.2987 0.00000
959 21.3195 0.00000
960 21.3253 0.00000
961 21.4039 0.00000
962 21.4046 0.00000
963 21.4106 0.00000
964 21.4120 0.00000
965 21.4317 0.00000
966 21.4432 0.00000
967 21.4616 0.00000
968 21.5016 0.00000
969 21.5164 0.00000
970 21.5787 0.00000
971 21.5797 0.00000
972 21.5929 0.00000
973 21.6890 0.00000
974 21.7328 0.00000
975 21.7411 0.00000
976 21.7422 0.00000
977 21.7670 0.00000
978 21.7689 0.00000
979 21.7733 0.00000
980 21.7739 0.00000
981 21.7842 0.00000
982 21.8165 0.00000
983 21.8396 0.00000
984 21.8760 0.00000
985 21.8764 0.00000
986 21.8937 0.00000
987 21.9288 0.00000
988 21.9423 0.00000
989 21.9642 0.00000
990 21.9807 0.00000
991 21.9826 0.00000
992 22.0277 0.00000
993 22.1034 0.00000
994 22.1035 0.00000
995 22.1246 0.00000
996 22.1609 0.00000
997 22.1840 0.00000
998 22.2047 0.00000
999 22.2049 0.00000
1000 22.2125 0.00000
1001 22.2235 0.00000
1002 22.2236 0.00000
1003 22.2506 0.00000
1004 22.2871 0.00000
1005 22.2924 0.00000
1006 22.3496 0.00000
1007 22.4248 0.00000
1008 22.4257 0.00000
1009 22.4614 0.00000
1010 22.4759 0.00000
1011 22.4767 0.00000
1012 22.5343 0.00000
1013 22.5348 0.00000
1014 22.5513 0.00000
1015 22.5720 0.00000
1016 22.5723 0.00000
1017 22.6012 0.00000
1018 22.6321 0.00000
1019 22.6323 0.00000
1020 22.6590 0.00000
1021 22.6848 0.00000
1022 22.6918 0.00000
1023 22.6925 0.00000
1024 22.7032 0.00000
1025 22.7689 0.00000
1026 22.8064 0.00000
1027 22.8080 0.00000
1028 22.8931 0.00000
1029 22.8938 0.00000
1030 22.9053 0.00000
1031 22.9087 0.00000
1032 22.9246 0.00000
1033 23.0055 0.00000
1034 23.0207 0.00000
1035 23.0211 0.00000
1036 23.0307 0.00000
1037 23.0502 0.00000
1038 23.0503 0.00000
1039 23.0505 0.00000
1040 23.0788 0.00000
1041 23.2323 0.00000
1042 23.2328 0.00000
1043 23.2698 0.00000
1044 23.2728 0.00000
1045 23.3115 0.00000
1046 23.3261 0.00000
1047 23.3489 0.00000
1048 23.3959 0.00000
1049 23.3982 0.00000
1050 23.4102 0.00000
1051 23.4606 0.00000
1052 23.5093 0.00000
1053 23.5298 0.00000
1054 23.5325 0.00000
1055 23.5582 0.00000
1056 23.6044 0.00000
1057 23.6178 0.00000
1058 23.6248 0.00000
1059 23.6267 0.00000
1060 23.6353 0.00000
1061 23.6361 0.00000
1062 23.7056 0.00000
1063 23.7065 0.00000
1064 23.7256 0.00000
1065 23.7270 0.00000
1066 23.7319 0.00000
1067 23.7355 0.00000
1068 23.7759 0.00000
1069 23.7946 0.00000
1070 23.8444 0.00000
1071 23.8452 0.00000
1072 23.8807 0.00000
1073 23.8846 0.00000
1074 23.8994 0.00000
1075 23.9409 0.00000
1076 23.9987 0.00000
1077 24.0006 0.00000
1078 24.0044 0.00000
1079 24.0406 0.00000
1080 24.0432 0.00000
1081 24.0510 0.00000
1082 24.1699 0.00000
1083 24.2062 0.00000
1084 24.2350 0.00000
1085 24.2377 0.00000
1086 24.2399 0.00000
1087 24.2757 0.00000
1088 24.2772 0.00000
1089 24.2825 0.00000
1090 24.2852 0.00000
1091 24.2880 0.00000
1092 24.3393 0.00000
1093 24.3616 0.00000
1094 24.3802 0.00000
1095 24.3843 0.00000
1096 24.4036 0.00000
1097 24.4536 0.00000
1098 24.4672 0.00000
1099 24.4887 0.00000
1100 24.5019 0.00000
1101 24.5231 0.00000
1102 24.5718 0.00000
1103 24.5769 0.00000
1104 24.5998 0.00000
1105 24.6140 0.00000
1106 24.6268 0.00000
1107 24.6315 0.00000
1108 24.6448 0.00000
1109 24.6891 0.00000
1110 24.6979 0.00000
1111 24.7065 0.00000
1112 24.7286 0.00000
1113 24.7779 0.00000
1114 24.7892 0.00000
1115 24.8007 0.00000
1116 24.8174 0.00000
1117 24.8418 0.00000
1118 24.8600 0.00000
1119 24.8879 0.00000
1120 24.9187 0.00000
1121 24.9290 0.00000
1122 24.9540 0.00000
1123 25.0010 0.00000
1124 25.0066 0.00000
1125 25.0312 0.00000
1126 25.0446 0.00000
1127 25.0527 0.00000
1128 25.0729 0.00000
1129 25.0908 0.00000
1130 25.1076 0.00000
1131 25.1331 0.00000
1132 25.1727 0.00000
1133 25.1935 0.00000
1134 25.2140 0.00000
1135 25.2679 0.00000
1136 25.2988 0.00000
1137 25.3169 0.00000
1138 25.3320 0.00000
1139 25.3607 0.00000
1140 25.4053 0.00000
1141 25.4312 0.00000
1142 25.4690 0.00000
1143 25.4846 0.00000
1144 25.5090 0.00000
1145 25.5181 0.00000
1146 25.5458 0.00000
1147 25.6053 0.00000
1148 25.6238 0.00000
1149 25.7155 0.00000
1150 25.7402 0.00000
1151 25.7563 0.00000
1152 25.8687 0.00000
k-point 2 : 0.3333 0.0000 0.0000
band No. band energies occupation
1 -76.4224 1.00000
2 -76.4223 1.00000
3 -76.4221 1.00000
4 -76.4218 1.00000
5 -76.4216 1.00000
6 -76.4211 1.00000
7 -76.4208 1.00000
8 -76.4206 1.00000
9 -40.7756 1.00000
10 -40.7752 1.00000
11 -40.7722 1.00000
12 -40.7715 1.00000
13 -40.7715 1.00000
14 -40.7711 1.00000
15 -40.7694 1.00000
16 -40.7672 1.00000
17 -40.7572 1.00000
18 -40.7561 1.00000
19 -40.7475 1.00000
20 -40.7474 1.00000
21 -40.7448 1.00000
22 -40.7447 1.00000
23 -40.7420 1.00000
24 -40.7375 1.00000
25 -40.7008 1.00000
26 -40.7004 1.00000
27 -40.6941 1.00000
28 -40.6939 1.00000
29 -40.6927 1.00000
30 -40.6922 1.00000
31 -40.6886 1.00000
32 -40.6869 1.00000
33 -24.0600 1.00000
34 -24.0501 1.00000
35 -24.0392 1.00000
36 -24.0388 1.00000
37 -24.0387 1.00000
38 -24.0355 1.00000
39 -24.0351 1.00000
40 -24.0349 1.00000
41 -24.0090 1.00000
42 -23.9981 1.00000
43 -23.9859 1.00000
44 -23.9849 1.00000
45 -23.9844 1.00000
46 -23.9818 1.00000
47 -23.9807 1.00000
48 -23.9802 1.00000
49 -23.9254 1.00000
50 -23.9234 1.00000
51 -23.8651 1.00000
52 -23.8618 1.00000
53 -23.8525 1.00000
54 -23.8522 1.00000
55 -23.8506 1.00000
56 -23.8503 1.00000
57 -23.8291 1.00000
58 -23.8274 1.00000
59 -23.8182 1.00000
60 -23.8162 1.00000
61 -23.8152 1.00000
62 -23.8143 1.00000
63 -23.8140 1.00000
64 -23.8134 1.00000
65 -23.7990 1.00000
66 -23.7986 1.00000
67 -23.7958 1.00000
68 -23.7955 1.00000
69 -23.7801 1.00000
70 -23.7789 1.00000
71 -23.7721 1.00000
72 -23.7694 1.00000
73 -23.7637 1.00000
74 -23.7611 1.00000
75 -23.7596 1.00000
76 -23.7579 1.00000
77 -23.7578 1.00000
78 -23.7568 1.00000
79 -23.7565 1.00000
80 -23.7556 1.00000
81 -23.7544 1.00000
82 -23.7536 1.00000
83 -23.7534 1.00000
84 -23.7527 1.00000
85 -23.7255 1.00000
86 -23.7224 1.00000
87 -23.7196 1.00000
88 -23.7142 1.00000
89 -23.7130 1.00000
90 -23.7123 1.00000
91 -23.7123 1.00000
92 -23.7112 1.00000
93 -23.7102 1.00000
94 -23.7065 1.00000
95 -23.6778 1.00000
96 -23.6741 1.00000
97 -23.6703 1.00000
98 -23.6680 1.00000
99 -23.6477 1.00000
100 -23.6469 1.00000
101 -23.6464 1.00000
102 -23.6458 1.00000
103 -23.6375 1.00000
104 -23.6300 1.00000
105 -23.6224 1.00000
106 -23.6129 1.00000
107 -23.6058 1.00000
108 -23.6047 1.00000
109 -23.6040 1.00000
110 -23.6031 1.00000
111 -23.5767 1.00000
112 -23.5654 1.00000
113 -20.2764 1.00000
114 -20.1201 1.00000
115 -19.7605 1.00000
116 -19.7598 1.00000
117 -19.7075 1.00000
118 -19.7071 1.00000
119 -19.6463 1.00000
120 -19.5685 1.00000
121 -19.3443 1.00000
122 -19.3438 1.00000
123 -19.3270 1.00000
124 -19.3261 1.00000
125 -19.2848 1.00000
126 -19.2796 1.00000
127 -19.1690 1.00000
128 -19.1099 1.00000
129 -18.9305 1.00000
130 -18.9183 1.00000
131 -18.8909 1.00000
132 -18.8633 1.00000
133 -18.8630 1.00000
134 -18.8401 1.00000
135 -18.7786 1.00000
136 -18.7780 1.00000
137 -18.6956 1.00000
138 -18.6638 1.00000
139 -18.5988 1.00000
140 -18.5919 1.00000
141 -18.4307 1.00000
142 -18.4298 1.00000
143 -18.4293 1.00000
144 -18.4281 1.00000
145 -18.3612 1.00000
146 -18.3555 1.00000
147 -18.2881 1.00000
148 -18.2807 1.00000
149 -18.2195 1.00000
150 -18.2186 1.00000
151 -18.2117 1.00000
152 -18.2104 1.00000
153 -18.1181 1.00000
154 -18.1174 1.00000
155 -18.1139 1.00000
156 -18.1133 1.00000
157 -17.5590 1.00000
158 -17.5457 1.00000
159 -17.5422 1.00000
160 -17.5396 1.00000
161 -11.7736 1.00000
162 -11.6845 1.00000
163 -11.6421 1.00000
164 -11.5921 1.00000
165 -10.9811 1.00000
166 -10.9800 1.00000
167 -10.9310 1.00000
168 -10.9306 1.00000
169 -10.9058 1.00000
170 -10.9044 1.00000
171 -10.8576 1.00000
172 -10.8571 1.00000
173 -10.1358 1.00000
174 -10.1033 1.00000
175 -10.0055 1.00000
176 -9.9482 1.00000
177 -7.4878 1.00000
178 -7.3618 1.00000
179 -7.3315 1.00000
180 -7.2929 1.00000
181 -7.2925 1.00000
182 -7.1486 1.00000
183 -7.1166 1.00000
184 -7.1163 1.00000
185 -7.0825 1.00000
186 -7.0820 1.00000
187 -7.0632 1.00000
188 -6.9317 1.00000
189 -6.9121 1.00000
190 -6.9117 1.00000
191 -6.8802 1.00000
192 -6.6510 1.00000
193 -6.5945 1.00000
194 -6.5474 1.00000
195 -6.4710 1.00000
196 -6.4363 1.00000
197 -6.4231 1.00000
198 -6.4225 1.00000
199 -6.3146 1.00000
200 -6.2837 1.00000
201 -6.2826 1.00000
202 -6.2460 1.00000
203 -6.2445 1.00000
204 -6.1949 1.00000
205 -6.1267 1.00000
206 -6.0453 1.00000
207 -6.0441 1.00000
208 -6.0281 1.00000
209 -6.0232 1.00000
210 -6.0227 1.00000
211 -5.9063 1.00000
212 -5.8943 1.00000
213 -5.8752 1.00000
214 -5.7719 1.00000
215 -5.7405 1.00000
216 -5.7395 1.00000
217 -5.7345 1.00000
218 -5.7250 1.00000
219 -5.7239 1.00000
220 -5.6498 1.00000
221 -5.5476 1.00000
222 -5.5222 1.00000
223 -5.5114 1.00000
224 -5.5099 1.00000
225 -5.2478 1.00000
226 -5.1560 1.00000
227 -5.1354 1.00000
228 -5.0646 1.00000
229 -5.0064 1.00000
230 -4.9993 1.00000
231 -4.9984 1.00000
232 -4.9977 1.00000
233 -4.8974 1.00000
234 -4.8959 1.00000
235 -4.8630 1.00000
236 -4.8075 1.00000
237 -4.6349 1.00000
238 -4.5972 1.00000
239 -4.5962 1.00000
240 -4.5580 1.00000
241 -4.4843 1.00000
242 -4.4840 1.00000
243 -4.4331 1.00000
244 -4.3461 1.00000
245 -4.3208 1.00000
246 -4.3199 1.00000
247 -4.3058 1.00000
248 -4.2092 1.00000
249 -4.1456 1.00000
250 -4.1427 1.00000
251 -4.1417 1.00000
252 -3.9698 1.00000
253 -3.9592 1.00000
254 -3.9579 1.00000
255 -3.8902 1.00000
256 -3.8506 1.00000
257 -3.8494 1.00000
258 -3.7929 1.00000
259 -3.7899 1.00000
260 -3.7246 1.00000
261 -3.7022 1.00000
262 -3.7017 1.00000
263 -3.6469 1.00000
264 -3.5728 1.00000
265 -3.5726 1.00000
266 -3.5351 1.00000
267 -3.5187 1.00000
268 -3.5180 1.00000
269 -3.4988 1.00000
270 -3.4983 1.00000
271 -3.4440 1.00000
272 -3.3696 1.00000
273 -3.3195 1.00000
274 -3.2894 1.00000
275 -3.2673 1.00000
276 -3.2669 1.00000
277 -3.2588 1.00000
278 -3.2577 1.00000
279 -3.1748 1.00000
280 -3.1284 1.00000
281 -3.1275 1.00000
282 -3.1245 1.00000
283 -3.1236 1.00000
284 -3.0605 1.00000
285 -3.0444 1.00000
286 -2.9702 1.00000
287 -2.9682 1.00000
288 -2.9299 1.00000
289 -2.9292 1.00000
290 -2.8709 1.00000
291 -2.8404 1.00000
292 -2.8399 1.00000
293 -2.8357 1.00000
294 -2.8000 1.00000
295 -2.7986 1.00000
296 -2.7794 1.00000
297 -2.7791 1.00000
298 -2.7753 1.00000
299 -2.7692 1.00000
300 -2.7689 1.00000
301 -2.7352 1.00000
302 -2.6920 1.00000
303 -2.6441 1.00000
304 -2.6437 1.00000
305 -2.5814 1.00000
306 -2.5811 1.00000
307 -2.5237 1.00000
308 -2.4718 1.00000
309 -2.4715 1.00000
310 -2.4088 1.00000
311 -2.4074 1.00000
312 -2.3686 1.00000
313 -2.3330 1.00000
314 -2.3316 1.00000
315 -2.2257 1.00000
316 -2.2118 1.00000
317 -2.1594 1.00000
318 -2.0668 1.00000
319 -2.0540 1.00000
320 -1.9541 1.00000
321 0.7203 0.00000
322 0.8940 0.00000
323 1.0103 0.00000
324 1.0275 0.00000
325 1.0287 0.00000
326 1.0911 0.00000
327 1.1173 0.00000
328 1.1183 0.00000
329 1.2616 0.00000
330 1.2627 0.00000
331 1.3042 0.00000
332 1.3317 0.00000
333 1.3755 0.00000
334 1.3777 0.00000
335 1.5130 0.00000
336 1.5144 0.00000
337 1.5485 0.00000
338 1.5931 0.00000
339 1.7511 0.00000
340 1.8201 0.00000
341 1.8389 0.00000
342 1.8402 0.00000
343 1.8664 0.00000
344 2.0196 0.00000
345 2.0201 0.00000
346 2.0347 0.00000
347 2.0349 0.00000
348 2.0841 0.00000
349 2.1825 0.00000
350 2.1959 0.00000
351 2.3450 0.00000
352 2.3829 0.00000
353 2.3835 0.00000
354 2.4452 0.00000
355 2.5225 0.00000
356 2.6273 0.00000
357 2.7124 0.00000
358 2.7303 0.00000
359 2.7319 0.00000
360 2.9192 0.00000
361 2.9211 0.00000
362 2.9224 0.00000
363 3.0820 0.00000
364 3.1158 0.00000
365 3.1160 0.00000
366 3.1174 0.00000
367 3.3920 0.00000
368 3.4255 0.00000
369 3.5508 0.00000
370 3.6086 0.00000
371 3.6105 0.00000
372 3.6136 0.00000
373 3.6691 0.00000
374 3.6925 0.00000
375 3.7356 0.00000
376 3.7380 0.00000
377 3.8780 0.00000
378 3.9477 0.00000
379 3.9498 0.00000
380 4.0660 0.00000
381 4.1778 0.00000
382 4.2375 0.00000
383 4.2404 0.00000
384 4.2468 0.00000
385 4.2883 0.00000
386 4.2905 0.00000
387 4.2954 0.00000
388 4.3406 0.00000
389 4.5484 0.00000
390 4.5633 0.00000
391 4.5974 0.00000
392 4.6405 0.00000
393 4.6423 0.00000
394 4.7153 0.00000
395 4.7808 0.00000
396 4.7947 0.00000
397 4.7964 0.00000
398 4.8490 0.00000
399 4.9225 0.00000
400 4.9349 0.00000
401 4.9386 0.00000
402 4.9939 0.00000
403 5.0498 0.00000
404 5.0786 0.00000
405 5.0793 0.00000
406 5.1668 0.00000
407 5.2162 0.00000
408 5.2169 0.00000
409 5.3323 0.00000
410 5.3329 0.00000
411 5.3370 0.00000
412 5.3605 0.00000
413 5.4134 0.00000
414 5.4142 0.00000
415 5.4656 0.00000
416 5.4680 0.00000
417 5.5828 0.00000
418 5.6399 0.00000
419 5.6406 0.00000
420 5.7512 0.00000
421 5.7702 0.00000
422 5.7713 0.00000
423 5.9125 0.00000
424 5.9127 0.00000
425 5.9554 0.00000
426 5.9873 0.00000
427 6.0248 0.00000
428 6.0526 0.00000
429 6.1352 0.00000
430 6.2193 0.00000
431 6.2195 0.00000
432 6.5800 0.00000
433 6.6671 0.00000
434 6.7286 0.00000
435 6.7287 0.00000
436 6.8675 0.00000
437 6.8681 0.00000
438 6.8922 0.00000
439 6.9569 0.00000
440 6.9574 0.00000
441 6.9738 0.00000
442 7.1666 0.00000
443 7.1679 0.00000
444 7.1682 0.00000
445 7.2938 0.00000
446 7.3896 0.00000
447 7.3915 0.00000
448 7.4670 0.00000
449 7.4784 0.00000
450 7.5763 0.00000
451 7.5767 0.00000
452 7.7065 0.00000
453 7.7325 0.00000
454 7.7329 0.00000
455 7.8356 0.00000
456 7.9389 0.00000
457 7.9571 0.00000
458 7.9583 0.00000
459 7.9781 0.00000
460 7.9786 0.00000
461 8.0091 0.00000
462 8.0969 0.00000
463 8.1560 0.00000
464 8.1562 0.00000
465 8.2443 0.00000
466 8.3234 0.00000
467 8.3238 0.00000
468 8.4589 0.00000
469 8.4985 0.00000
470 8.5174 0.00000
471 8.5177 0.00000
472 8.5539 0.00000
473 8.6564 0.00000
474 8.7516 0.00000
475 8.8169 0.00000
476 8.8305 0.00000
477 8.8308 0.00000
478 8.8858 0.00000
479 8.8864 0.00000
480 9.0272 0.00000
481 9.0651 0.00000
482 9.0929 0.00000
483 9.0936 0.00000
484 9.1257 0.00000
485 9.1621 0.00000
486 9.1622 0.00000
487 9.2084 0.00000
488 9.2822 0.00000
489 9.2930 0.00000
490 9.2955 0.00000
491 9.3129 0.00000
492 9.3488 0.00000
493 9.4212 0.00000
494 9.4213 0.00000
495 9.4216 0.00000
496 9.4927 0.00000
497 9.5126 0.00000
498 9.5184 0.00000
499 9.5842 0.00000
500 9.5847 0.00000
501 9.6833 0.00000
502 9.7558 0.00000
503 9.7662 0.00000
504 9.7669 0.00000
505 9.7865 0.00000
506 9.7884 0.00000
507 9.8077 0.00000
508 9.8209 0.00000
509 9.8550 0.00000
510 9.9567 0.00000
511 9.9873 0.00000
512 10.0050 0.00000
513 10.0062 0.00000
514 10.0416 0.00000
515 10.0829 0.00000
516 10.1124 0.00000
517 10.1135 0.00000
518 10.1839 0.00000
519 10.2088 0.00000
520 10.2100 0.00000
521 10.2180 0.00000
522 10.2953 0.00000
523 10.3203 0.00000
524 10.3350 0.00000
525 10.4107 0.00000
526 10.4119 0.00000
527 10.4131 0.00000
528 10.4150 0.00000
529 10.4160 0.00000
530 10.4984 0.00000
531 10.5808 0.00000
532 10.6289 0.00000
533 10.6518 0.00000
534 10.7362 0.00000
535 10.7371 0.00000
536 10.7607 0.00000
537 10.7815 0.00000
538 10.8130 0.00000
539 10.8384 0.00000
540 10.8877 0.00000
541 10.9170 0.00000
542 10.9177 0.00000
543 10.9255 0.00000
544 10.9268 0.00000
545 10.9868 0.00000
546 11.0792 0.00000
547 11.0838 0.00000
548 11.1041 0.00000
549 11.1044 0.00000
550 11.2201 0.00000
551 11.2706 0.00000
552 11.2828 0.00000
553 11.2944 0.00000
554 11.3068 0.00000
555 11.3078 0.00000
556 11.3340 0.00000
557 11.3342 0.00000
558 11.3927 0.00000
559 11.4238 0.00000
560 11.4863 0.00000
561 11.5008 0.00000
562 11.5681 0.00000
563 11.5684 0.00000
564 11.5886 0.00000
565 11.6505 0.00000
566 11.6516 0.00000
567 11.7126 0.00000
568 11.7492 0.00000
569 11.7869 0.00000
570 11.8366 0.00000
571 11.8375 0.00000
572 11.8444 0.00000
573 11.9366 0.00000
574 11.9440 0.00000
575 11.9446 0.00000
576 11.9666 0.00000
577 12.0157 0.00000
578 12.0665 0.00000
579 12.0703 0.00000
580 12.0795 0.00000
581 12.0800 0.00000
582 12.1439 0.00000
583 12.1444 0.00000
584 12.1958 0.00000
585 12.2873 0.00000
586 12.2877 0.00000
587 12.3163 0.00000
588 12.3404 0.00000
589 12.3574 0.00000
590 12.3577 0.00000
591 12.3583 0.00000
592 12.3910 0.00000
593 12.3917 0.00000
594 12.4217 0.00000
595 12.4718 0.00000
596 12.5161 0.00000
597 12.5948 0.00000
598 12.6026 0.00000
599 12.6248 0.00000
600 12.7001 0.00000
601 12.7002 0.00000
602 12.7399 0.00000
603 12.7479 0.00000
604 12.7484 0.00000
605 12.8370 0.00000
606 12.8960 0.00000
607 12.9465 0.00000
608 12.9475 0.00000
609 12.9529 0.00000
610 12.9537 0.00000
611 12.9959 0.00000
612 13.0140 0.00000
613 13.0493 0.00000
614 13.0860 0.00000
615 13.1418 0.00000
616 13.1580 0.00000
617 13.1587 0.00000
618 13.2006 0.00000
619 13.2021 0.00000
620 13.2276 0.00000
621 13.2282 0.00000
622 13.2511 0.00000
623 13.2923 0.00000
624 13.3717 0.00000
625 13.4291 0.00000
626 13.4580 0.00000
627 13.4759 0.00000
628 13.4765 0.00000
629 13.5143 0.00000
630 13.5971 0.00000
631 13.5980 0.00000
632 13.6764 0.00000
633 13.6768 0.00000
634 13.6984 0.00000
635 13.7122 0.00000
636 13.7130 0.00000
637 13.7504 0.00000
638 13.7590 0.00000
639 13.8798 0.00000
640 13.9220 0.00000
641 13.9222 0.00000
642 13.9273 0.00000
643 13.9570 0.00000
644 13.9860 0.00000
645 13.9982 0.00000
646 13.9987 0.00000
647 14.0372 0.00000
648 14.1363 0.00000
649 14.1369 0.00000
650 14.1417 0.00000
651 14.1928 0.00000
652 14.2226 0.00000
653 14.2233 0.00000
654 14.2417 0.00000
655 14.2423 0.00000
656 14.2708 0.00000
657 14.3367 0.00000
658 14.3807 0.00000
659 14.3809 0.00000
660 14.3810 0.00000
661 14.3876 0.00000
662 14.4353 0.00000
663 14.4360 0.00000
664 14.4502 0.00000
665 14.4919 0.00000
666 14.5482 0.00000
667 14.5523 0.00000
668 14.5531 0.00000
669 14.5861 0.00000
670 14.6511 0.00000
671 14.6658 0.00000
672 14.6839 0.00000
673 14.6844 0.00000
674 14.7122 0.00000
675 14.8179 0.00000
676 14.8189 0.00000
677 14.8567 0.00000
678 14.9282 0.00000
679 14.9346 0.00000
680 14.9516 0.00000
681 14.9623 0.00000
682 14.9797 0.00000
683 14.9806 0.00000
684 15.0632 0.00000
685 15.0638 0.00000
686 15.1605 0.00000
687 15.1614 0.00000
688 15.1704 0.00000
689 15.1887 0.00000
690 15.2000 0.00000
691 15.2004 0.00000
692 15.2479 0.00000
693 15.2538 0.00000
694 15.2781 0.00000
695 15.2787 0.00000
696 15.3311 0.00000
697 15.4074 0.00000
698 15.4080 0.00000
699 15.4649 0.00000
700 15.4677 0.00000
701 15.4838 0.00000
702 15.4843 0.00000
703 15.5090 0.00000
704 15.6049 0.00000
705 15.6180 0.00000
706 15.6189 0.00000
707 15.6576 0.00000
708 15.6580 0.00000
709 15.6953 0.00000
710 15.7388 0.00000
711 15.7551 0.00000
712 15.7559 0.00000
713 15.7733 0.00000
714 15.7738 0.00000
715 15.8074 0.00000
716 15.8616 0.00000
717 15.9310 0.00000
718 15.9313 0.00000
719 15.9386 0.00000
720 15.9807 0.00000
721 15.9941 0.00000
722 16.0137 0.00000
723 16.0627 0.00000
724 16.0636 0.00000
725 16.0655 0.00000
726 16.0709 0.00000
727 16.0712 0.00000
728 16.0800 0.00000
729 16.1403 0.00000
730 16.1640 0.00000
731 16.1890 0.00000
732 16.1903 0.00000
733 16.2212 0.00000
734 16.2714 0.00000
735 16.2845 0.00000
736 16.3421 0.00000
737 16.3425 0.00000
738 16.3468 0.00000
739 16.3907 0.00000
740 16.4268 0.00000
741 16.4280 0.00000
742 16.4791 0.00000
743 16.4795 0.00000
744 16.4898 0.00000
745 16.5918 0.00000
746 16.6253 0.00000
747 16.6264 0.00000
748 16.6265 0.00000
749 16.6278 0.00000
750 16.6493 0.00000
751 16.6833 0.00000
752 16.7362 0.00000
753 16.7897 0.00000
754 16.8132 0.00000
755 16.8136 0.00000
756 16.8199 0.00000
757 16.8203 0.00000
758 16.8597 0.00000
759 16.9121 0.00000
760 16.9128 0.00000
761 16.9339 0.00000
762 16.9590 0.00000
763 16.9603 0.00000
764 16.9775 0.00000
765 17.0295 0.00000
766 17.0493 0.00000
767 17.0908 0.00000
768 17.1047 0.00000
769 17.1411 0.00000
770 17.1423 0.00000
771 17.2244 0.00000
772 17.2608 0.00000
773 17.2615 0.00000
774 17.2683 0.00000
775 17.3037 0.00000
776 17.3141 0.00000
777 17.3146 0.00000
778 17.4196 0.00000
779 17.4279 0.00000
780 17.4648 0.00000
781 17.4902 0.00000
782 17.4910 0.00000
783 17.4950 0.00000
784 17.5068 0.00000
785 17.5079 0.00000
786 17.5623 0.00000
787 17.5776 0.00000
788 17.6073 0.00000
789 17.6075 0.00000
790 17.6353 0.00000
791 17.6547 0.00000
792 17.6553 0.00000
793 17.7156 0.00000
794 17.7853 0.00000
795 17.7960 0.00000
796 17.7964 0.00000
797 17.8311 0.00000
798 17.8596 0.00000
799 17.9141 0.00000
800 17.9164 0.00000
801 17.9169 0.00000
802 17.9624 0.00000
803 17.9627 0.00000
804 17.9777 0.00000
805 18.0185 0.00000
806 18.0739 0.00000
807 18.0837 0.00000
808 18.0842 0.00000
809 18.0889 0.00000
810 18.0904 0.00000
811 18.0910 0.00000
812 18.1652 0.00000
813 18.1912 0.00000
814 18.2063 0.00000
815 18.2228 0.00000
816 18.2235 0.00000
817 18.2665 0.00000
818 18.3357 0.00000
819 18.3368 0.00000
820 18.3612 0.00000
821 18.3670 0.00000
822 18.4336 0.00000
823 18.4419 0.00000
824 18.4889 0.00000
825 18.4893 0.00000
826 18.4950 0.00000
827 18.5261 0.00000
828 18.5271 0.00000
829 18.5461 0.00000
830 18.6093 0.00000
831 18.6149 0.00000
832 18.6162 0.00000
833 18.6274 0.00000
834 18.6288 0.00000
835 18.6727 0.00000
836 18.6835 0.00000
837 18.7122 0.00000
838 18.7133 0.00000
839 18.7492 0.00000
840 18.7899 0.00000
841 18.8046 0.00000
842 18.8128 0.00000
843 18.8131 0.00000
844 18.8185 0.00000
845 18.8246 0.00000
846 18.8255 0.00000
847 18.9046 0.00000
848 18.9354 0.00000
849 18.9504 0.00000
850 18.9510 0.00000
851 18.9573 0.00000
852 18.9577 0.00000
853 18.9708 0.00000
854 19.0590 0.00000
855 19.0936 0.00000
856 19.0938 0.00000
857 19.1444 0.00000
858 19.1460 0.00000
859 19.1807 0.00000
860 19.1815 0.00000
861 19.1864 0.00000
862 19.2203 0.00000
863 19.2911 0.00000
864 19.2975 0.00000
865 19.2983 0.00000
866 19.2999 0.00000
867 19.3014 0.00000
868 19.3019 0.00000
869 19.3398 0.00000
870 19.3568 0.00000
871 19.4148 0.00000
872 19.4207 0.00000
873 19.4226 0.00000
874 19.4720 0.00000
875 19.4731 0.00000
876 19.5016 0.00000
877 19.5160 0.00000
878 19.5625 0.00000
879 19.5627 0.00000
880 19.5841 0.00000
881 19.5996 0.00000
882 19.6650 0.00000
883 19.6945 0.00000
884 19.6949 0.00000
885 19.6955 0.00000
886 19.6958 0.00000
887 19.7974 0.00000
888 19.8235 0.00000
889 19.8238 0.00000
890 19.8300 0.00000
891 19.8928 0.00000
892 19.8936 0.00000
893 19.9029 0.00000
894 19.9407 0.00000
895 19.9412 0.00000
896 19.9644 0.00000
897 19.9648 0.00000
898 20.0075 0.00000
899 20.0436 0.00000
900 20.0538 0.00000
901 20.0709 0.00000
902 20.0883 0.00000
903 20.0886 0.00000
904 20.1958 0.00000
905 20.1968 0.00000
906 20.2195 0.00000
907 20.2346 0.00000
908 20.2559 0.00000
909 20.2570 0.00000
910 20.3041 0.00000
911 20.3542 0.00000
912 20.3549 0.00000
913 20.3595 0.00000
914 20.3750 0.00000
915 20.3756 0.00000
916 20.3997 0.00000
917 20.4363 0.00000
918 20.4876 0.00000
919 20.4884 0.00000
920 20.4988 0.00000
921 20.5082 0.00000
922 20.5310 0.00000
923 20.6030 0.00000
924 20.6083 0.00000
925 20.6086 0.00000
926 20.6300 0.00000
927 20.6546 0.00000
928 20.6590 0.00000
929 20.7201 0.00000
930 20.7211 0.00000
931 20.7336 0.00000
932 20.7346 0.00000
933 20.8110 0.00000
934 20.8626 0.00000
935 20.8780 0.00000
936 20.8788 0.00000
937 20.8878 0.00000
938 20.9091 0.00000
939 20.9098 0.00000
940 20.9923 0.00000
941 20.9929 0.00000
942 20.9933 0.00000
943 21.0410 0.00000
944 21.0906 0.00000
945 21.1068 0.00000
946 21.1290 0.00000
947 21.1298 0.00000
948 21.1394 0.00000
949 21.1407 0.00000
950 21.2275 0.00000
951 21.2336 0.00000
952 21.2373 0.00000
953 21.2382 0.00000
954 21.2546 0.00000
955 21.2766 0.00000
956 21.3519 0.00000
957 21.3525 0.00000
958 21.3574 0.00000
959 21.3582 0.00000
960 21.3758 0.00000
961 21.4397 0.00000
962 21.4529 0.00000
963 21.4641 0.00000
964 21.5280 0.00000
965 21.5773 0.00000
966 21.6012 0.00000
967 21.6017 0.00000
968 21.6081 0.00000
969 21.6314 0.00000
970 21.6328 0.00000
971 21.6613 0.00000
972 21.6824 0.00000
973 21.6857 0.00000
974 21.7336 0.00000
975 21.7347 0.00000
976 21.7846 0.00000
977 21.8351 0.00000
978 21.8878 0.00000
979 21.8886 0.00000
980 21.9104 0.00000
981 21.9114 0.00000
982 21.9634 0.00000
983 21.9638 0.00000
984 22.0057 0.00000
985 22.0305 0.00000
986 22.0351 0.00000
987 22.0635 0.00000
988 22.0641 0.00000
989 22.0865 0.00000
990 22.0942 0.00000
991 22.1483 0.00000
992 22.1494 0.00000
993 22.1623 0.00000
994 22.1628 0.00000
995 22.2007 0.00000
996 22.2131 0.00000
997 22.2572 0.00000
998 22.2587 0.00000
999 22.2596 0.00000
1000 22.2789 0.00000
1001 22.2797 0.00000
1002 22.3060 0.00000
1003 22.3095 0.00000
1004 22.3754 0.00000
1005 22.3760 0.00000
1006 22.4295 0.00000
1007 22.4660 0.00000
1008 22.4824 0.00000
1009 22.4828 0.00000
1010 22.4847 0.00000
1011 22.4854 0.00000
1012 22.4926 0.00000
1013 22.5539 0.00000
1014 22.5547 0.00000
1015 22.6164 0.00000
1016 22.6267 0.00000
1017 22.6938 0.00000
1018 22.7086 0.00000
1019 22.7089 0.00000
1020 22.7103 0.00000
1021 22.7103 0.00000
1022 22.7498 0.00000
1023 22.7615 0.00000
1024 22.8183 0.00000
1025 22.8190 0.00000
1026 22.8193 0.00000
1027 22.8476 0.00000
1028 22.9108 0.00000
1029 22.9722 0.00000
1030 22.9729 0.00000
1031 22.9749 0.00000
1032 22.9794 0.00000
1033 22.9800 0.00000
1034 23.0295 0.00000
1035 23.0861 0.00000
1036 23.0892 0.00000
1037 23.1396 0.00000
1038 23.1402 0.00000
1039 23.1612 0.00000
1040 23.1617 0.00000
1041 23.1730 0.00000
1042 23.1741 0.00000
1043 23.1994 0.00000
1044 23.2306 0.00000
1045 23.2787 0.00000
1046 23.3037 0.00000
1047 23.3045 0.00000
1048 23.3278 0.00000
1049 23.3287 0.00000
1050 23.3394 0.00000
1051 23.3568 0.00000
1052 23.4148 0.00000
1053 23.4153 0.00000
1054 23.4849 0.00000
1055 23.5134 0.00000
1056 23.5454 0.00000
1057 23.5464 0.00000
1058 23.5514 0.00000
1059 23.5531 0.00000
1060 23.6066 0.00000
1061 23.6236 0.00000
1062 23.6517 0.00000
1063 23.6535 0.00000
1064 23.6699 0.00000
1065 23.6714 0.00000
1066 23.7202 0.00000
1067 23.7215 0.00000
1068 23.7646 0.00000
1069 23.7853 0.00000
1070 23.7868 0.00000
1071 23.7947 0.00000
1072 23.8085 0.00000
1073 23.8364 0.00000
1074 23.8394 0.00000
1075 23.8414 0.00000
1076 23.8503 0.00000
1077 23.9127 0.00000
1078 23.9176 0.00000
1079 23.9349 0.00000
1080 23.9368 0.00000
1081 23.9380 0.00000
1082 23.9702 0.00000
1083 24.0622 0.00000
1084 24.0635 0.00000
1085 24.0690 0.00000
1086 24.0709 0.00000
1087 24.1026 0.00000
1088 24.1309 0.00000
1089 24.1838 0.00000
1090 24.2079 0.00000
1091 24.2142 0.00000
1092 24.2601 0.00000
1093 24.2734 0.00000
1094 24.2760 0.00000
1095 24.2857 0.00000
1096 24.3066 0.00000
1097 24.3196 0.00000
1098 24.3298 0.00000
1099 24.3461 0.00000
1100 24.3777 0.00000
1101 24.4067 0.00000
1102 24.4146 0.00000
1103 24.4422 0.00000
1104 24.4669 0.00000
1105 24.5012 0.00000
1106 24.5213 0.00000
1107 24.5328 0.00000
1108 24.5425 0.00000
1109 24.5558 0.00000
1110 24.5607 0.00000
1111 24.5787 0.00000
1112 24.6330 0.00000
1113 24.6563 0.00000
1114 24.6727 0.00000
1115 24.6793 0.00000
1116 24.7207 0.00000
1117 24.7369 0.00000
1118 24.7468 0.00000
1119 24.7690 0.00000
1120 24.7999 0.00000
1121 24.8154 0.00000
1122 24.8319 0.00000
1123 24.8406 0.00000
1124 24.8588 0.00000
1125 24.8738 0.00000
1126 24.8961 0.00000
1127 24.9160 0.00000
1128 24.9635 0.00000
1129 24.9897 0.00000
1130 25.0078 0.00000
1131 25.0414 0.00000
1132 25.0561 0.00000
1133 25.0772 0.00000
1134 25.1235 0.00000
1135 25.1358 0.00000
1136 25.1621 0.00000
1137 25.1862 0.00000
1138 25.2112 0.00000
1139 25.2332 0.00000
1140 25.2679 0.00000
1141 25.2939 0.00000
1142 25.3317 0.00000
1143 25.3556 0.00000
1144 25.3991 0.00000
1145 25.4340 0.00000
1146 25.4587 0.00000
1147 25.4944 0.00000
1148 25.5318 0.00000
1149 25.5756 0.00000
1150 25.6149 0.00000
1151 25.6634 0.00000
1152 25.7040 0.00000
k-point 3 : 0.0000 0.3333 0.0000
band No. band energies occupation
1 -76.4224 1.00000
2 -76.4222 1.00000
3 -76.4222 1.00000
4 -76.4220 1.00000
5 -76.4214 1.00000
6 -76.4212 1.00000
7 -76.4208 1.00000
8 -76.4206 1.00000
9 -40.7754 1.00000
10 -40.7748 1.00000
11 -40.7724 1.00000
12 -40.7721 1.00000
13 -40.7707 1.00000
14 -40.7703 1.00000
15 -40.7696 1.00000
16 -40.7693 1.00000
17 -40.7554 1.00000
18 -40.7536 1.00000
19 -40.7531 1.00000
20 -40.7475 1.00000
21 -40.7436 1.00000
22 -40.7430 1.00000
23 -40.7424 1.00000
24 -40.7377 1.00000
25 -40.6999 1.00000
26 -40.6991 1.00000
27 -40.6978 1.00000
28 -40.6955 1.00000
29 -40.6908 1.00000
30 -40.6898 1.00000
31 -40.6894 1.00000
32 -40.6874 1.00000
33 -24.0568 1.00000
34 -24.0446 1.00000
35 -24.0434 1.00000
36 -24.0414 1.00000
37 -24.0386 1.00000
38 -24.0373 1.00000
39 -24.0345 1.00000
40 -24.0342 1.00000
41 -24.0053 1.00000
42 -23.9916 1.00000
43 -23.9896 1.00000
44 -23.9876 1.00000
45 -23.9854 1.00000
46 -23.9834 1.00000
47 -23.9807 1.00000
48 -23.9801 1.00000
49 -23.9163 1.00000
50 -23.9152 1.00000
51 -23.8935 1.00000
52 -23.8852 1.00000
53 -23.8563 1.00000
54 -23.8555 1.00000
55 -23.8367 1.00000
56 -23.8302 1.00000
57 -23.8284 1.00000
58 -23.8277 1.00000
59 -23.8259 1.00000
60 -23.8257 1.00000
61 -23.8241 1.00000
62 -23.8229 1.00000
63 -23.8221 1.00000
64 -23.8176 1.00000
65 -23.7930 1.00000
66 -23.7916 1.00000
67 -23.7819 1.00000
68 -23.7799 1.00000
69 -23.7768 1.00000
70 -23.7723 1.00000
71 -23.7714 1.00000
72 -23.7696 1.00000
73 -23.7662 1.00000
74 -23.7653 1.00000
75 -23.7645 1.00000
76 -23.7626 1.00000
77 -23.7602 1.00000
78 -23.7584 1.00000
79 -23.7579 1.00000
80 -23.7573 1.00000
81 -23.7483 1.00000
82 -23.7482 1.00000
83 -23.7320 1.00000
84 -23.7269 1.00000
85 -23.7266 1.00000
86 -23.7255 1.00000
87 -23.7219 1.00000
88 -23.7182 1.00000
89 -23.7135 1.00000
90 -23.7131 1.00000
91 -23.7118 1.00000
92 -23.7100 1.00000
93 -23.7096 1.00000
94 -23.7063 1.00000
95 -23.6924 1.00000
96 -23.6811 1.00000
97 -23.6731 1.00000
98 -23.6629 1.00000
99 -23.6611 1.00000
100 -23.6545 1.00000
101 -23.6373 1.00000
102 -23.6362 1.00000
103 -23.6308 1.00000
104 -23.6302 1.00000
105 -23.6237 1.00000
106 -23.6217 1.00000
107 -23.6152 1.00000
108 -23.6137 1.00000
109 -23.5937 1.00000
110 -23.5865 1.00000
111 -23.5849 1.00000
112 -23.5677 1.00000
113 -20.2653 1.00000
114 -20.0695 1.00000
115 -19.9291 1.00000
116 -19.8070 1.00000
117 -19.7294 1.00000
118 -19.6618 1.00000
119 -19.5176 1.00000
120 -19.4698 1.00000
121 -19.4297 1.00000
122 -19.3089 1.00000
123 -19.3067 1.00000
124 -19.2907 1.00000
125 -19.2690 1.00000
126 -19.2515 1.00000
127 -19.2149 1.00000
128 -19.1995 1.00000
129 -18.9357 1.00000
130 -18.9254 1.00000
131 -18.9035 1.00000
132 -18.9023 1.00000
133 -18.8843 1.00000
134 -18.8075 1.00000
135 -18.7243 1.00000
136 -18.7089 1.00000
137 -18.7019 1.00000
138 -18.6312 1.00000
139 -18.5738 1.00000
140 -18.5734 1.00000
141 -18.5430 1.00000
142 -18.5418 1.00000
143 -18.4921 1.00000
144 -18.4733 1.00000
145 -18.3540 1.00000
146 -18.3469 1.00000
147 -18.3429 1.00000
148 -18.3052 1.00000
149 -18.2922 1.00000
150 -18.2901 1.00000
151 -18.2802 1.00000
152 -18.2757 1.00000
153 -17.9029 1.00000
154 -17.8964 1.00000
155 -17.8843 1.00000
156 -17.8700 1.00000
157 -17.6603 1.00000
158 -17.6432 1.00000
159 -17.6424 1.00000
160 -17.6334 1.00000
161 -11.7233 1.00000
162 -11.6362 1.00000
163 -11.4692 1.00000
164 -11.4476 1.00000
165 -11.4201 1.00000
166 -11.3787 1.00000
167 -11.2110 1.00000
168 -11.1848 1.00000
169 -10.5789 1.00000
170 -10.5155 1.00000
171 -10.4965 1.00000
172 -10.4412 1.00000
173 -10.2599 1.00000
174 -10.2336 1.00000
175 -10.1446 1.00000
176 -10.0868 1.00000
177 -7.4369 1.00000
178 -7.3813 1.00000
179 -7.3154 1.00000
180 -7.2881 1.00000
181 -7.2192 1.00000
182 -7.1947 1.00000
183 -7.1703 1.00000
184 -7.1094 1.00000
185 -7.1005 1.00000
186 -7.0766 1.00000
187 -7.0626 1.00000
188 -6.9641 1.00000
189 -6.9521 1.00000
190 -6.9192 1.00000
191 -6.8324 1.00000
192 -6.7894 1.00000
193 -6.6285 1.00000
194 -6.5846 1.00000
195 -6.5521 1.00000
196 -6.3870 1.00000
197 -6.3479 1.00000
198 -6.3406 1.00000
199 -6.2953 1.00000
200 -6.2803 1.00000
201 -6.2728 1.00000
202 -6.2376 1.00000
203 -6.1995 1.00000
204 -6.1946 1.00000
205 -6.1669 1.00000
206 -6.1428 1.00000
207 -6.0584 1.00000
208 -6.0555 1.00000
209 -6.0251 1.00000
210 -5.9447 1.00000
211 -5.9388 1.00000
212 -5.9362 1.00000
213 -5.8872 1.00000
214 -5.8705 1.00000
215 -5.7153 1.00000
216 -5.6837 1.00000
217 -5.6483 1.00000
218 -5.6297 1.00000
219 -5.6186 1.00000
220 -5.5886 1.00000
221 -5.5743 1.00000
222 -5.5377 1.00000
223 -5.4427 1.00000
224 -5.3884 1.00000
225 -5.3797 1.00000
226 -5.2682 1.00000
227 -5.0941 1.00000
228 -5.0908 1.00000
229 -4.9989 1.00000
230 -4.9231 1.00000
231 -4.9013 1.00000
232 -4.8814 1.00000
233 -4.8732 1.00000
234 -4.8100 1.00000
235 -4.7467 1.00000
236 -4.7338 1.00000
237 -4.7056 1.00000
238 -4.7004 1.00000
239 -4.6430 1.00000
240 -4.6046 1.00000
241 -4.6010 1.00000
242 -4.5754 1.00000
243 -4.4786 1.00000
244 -4.3636 1.00000
245 -4.3452 1.00000
246 -4.3169 1.00000
247 -4.2600 1.00000
248 -4.2402 1.00000
249 -4.0916 1.00000
250 -4.0658 1.00000
251 -4.0564 1.00000
252 -4.0218 1.00000
253 -4.0104 1.00000
254 -4.0068 1.00000
255 -3.9783 1.00000
256 -3.9155 1.00000
257 -3.8664 1.00000
258 -3.8550 1.00000
259 -3.8466 1.00000
260 -3.8060 1.00000
261 -3.7522 1.00000
262 -3.7036 1.00000
263 -3.6858 1.00000
264 -3.6576 1.00000
265 -3.6135 1.00000
266 -3.6026 1.00000
267 -3.5737 1.00000
268 -3.5525 1.00000
269 -3.5520 1.00000
270 -3.4933 1.00000
271 -3.4081 1.00000
272 -3.3976 1.00000
273 -3.3560 1.00000
274 -3.3542 1.00000
275 -3.3031 1.00000
276 -3.2810 1.00000
277 -3.2362 1.00000
278 -3.2118 1.00000
279 -3.2008 1.00000
280 -3.1692 1.00000
281 -3.1394 1.00000
282 -3.1011 1.00000
283 -3.0932 1.00000
284 -3.0817 1.00000
285 -3.0757 1.00000
286 -2.9734 1.00000
287 -2.9285 1.00000
288 -2.9225 1.00000
289 -2.9206 1.00000
290 -2.8505 1.00000
291 -2.8380 1.00000
292 -2.8350 1.00000
293 -2.8309 1.00000
294 -2.8296 1.00000
295 -2.8196 1.00000
296 -2.7617 1.00000
297 -2.7580 1.00000
298 -2.7185 1.00000
299 -2.7049 1.00000
300 -2.6590 1.00000
301 -2.6042 1.00000
302 -2.5923 1.00000
303 -2.5829 1.00000
304 -2.5656 1.00000
305 -2.5505 1.00000
306 -2.5267 1.00000
307 -2.4684 1.00000
308 -2.4183 1.00000
309 -2.3841 1.00000
310 -2.3683 1.00000
311 -2.3410 1.00000
312 -2.3324 1.00000
313 -2.2298 1.00000
314 -2.2289 1.00000
315 -2.2191 1.00000
316 -2.2166 1.00000
317 -2.2069 1.00000
318 -2.1796 1.00000
319 -2.1447 1.00000
320 -2.0376 1.00000
321 0.6989 0.00000
322 0.8710 0.00000
323 0.8726 0.00000
324 0.9521 0.00000
325 0.9846 0.00000
326 1.0300 0.00000
327 1.0933 0.00000
328 1.1078 0.00000
329 1.1473 0.00000
330 1.3171 0.00000
331 1.3366 0.00000
332 1.3846 0.00000
333 1.4084 0.00000
334 1.4420 0.00000
335 1.4921 0.00000
336 1.5103 0.00000
337 1.5210 0.00000
338 1.5525 0.00000
339 1.6676 0.00000
340 1.6678 0.00000
341 1.8883 0.00000
342 1.9103 0.00000
343 1.9398 0.00000
344 1.9607 0.00000
345 2.0209 0.00000
346 2.1170 0.00000
347 2.1197 0.00000
348 2.1541 0.00000
349 2.1687 0.00000
350 2.2014 0.00000
351 2.2162 0.00000
352 2.2847 0.00000
353 2.4025 0.00000
354 2.5692 0.00000
355 2.6236 0.00000
356 2.6683 0.00000
357 2.7882 0.00000
358 2.8219 0.00000
359 2.8392 0.00000
360 2.9441 0.00000
361 2.9625 0.00000
362 2.9775 0.00000
363 2.9887 0.00000
364 3.0482 0.00000
365 3.0848 0.00000
366 3.2168 0.00000
367 3.2376 0.00000
368 3.3601 0.00000
369 3.4881 0.00000
370 3.5071 0.00000
371 3.5368 0.00000
372 3.6055 0.00000
373 3.6949 0.00000
374 3.7650 0.00000
375 3.7960 0.00000
376 3.8081 0.00000
377 3.8207 0.00000
378 3.9309 0.00000
379 3.9486 0.00000
380 4.0956 0.00000
381 4.1093 0.00000
382 4.1257 0.00000
383 4.1779 0.00000
384 4.2152 0.00000
385 4.2835 0.00000
386 4.3042 0.00000
387 4.3147 0.00000
388 4.3395 0.00000
389 4.4023 0.00000
390 4.4555 0.00000
391 4.5342 0.00000
392 4.5788 0.00000
393 4.6549 0.00000
394 4.7918 0.00000
395 4.8474 0.00000
396 4.8569 0.00000
397 4.8581 0.00000
398 4.8805 0.00000
399 4.8823 0.00000
400 4.8868 0.00000
401 4.9945 0.00000
402 5.0079 0.00000
403 5.0247 0.00000
404 5.0549 0.00000
405 5.0948 0.00000
406 5.1993 0.00000
407 5.2355 0.00000
408 5.2430 0.00000
409 5.3085 0.00000
410 5.3492 0.00000
411 5.3611 0.00000
412 5.3791 0.00000
413 5.4298 0.00000
414 5.4535 0.00000
415 5.5291 0.00000
416 5.5670 0.00000
417 5.5846 0.00000
418 5.6614 0.00000
419 5.6835 0.00000
420 5.7041 0.00000
421 5.8062 0.00000
422 5.8512 0.00000
423 5.8909 0.00000
424 5.9181 0.00000
425 5.9216 0.00000
426 5.9916 0.00000
427 5.9983 0.00000
428 6.0249 0.00000
429 6.1634 0.00000
430 6.2101 0.00000
431 6.2398 0.00000
432 6.6073 0.00000
433 6.7102 0.00000
434 6.7316 0.00000
435 6.7494 0.00000
436 6.8303 0.00000
437 6.8583 0.00000
438 6.9141 0.00000
439 6.9318 0.00000
440 6.9549 0.00000
441 6.9804 0.00000
442 7.1447 0.00000
443 7.1669 0.00000
444 7.1862 0.00000
445 7.1878 0.00000
446 7.3392 0.00000
447 7.4355 0.00000
448 7.4404 0.00000
449 7.5452 0.00000
450 7.5808 0.00000
451 7.6362 0.00000
452 7.7286 0.00000
453 7.7483 0.00000
454 7.7532 0.00000
455 7.8991 0.00000
456 7.9626 0.00000
457 7.9654 0.00000
458 8.0168 0.00000
459 8.0173 0.00000
460 8.0475 0.00000
461 8.0737 0.00000
462 8.1342 0.00000
463 8.1928 0.00000
464 8.2239 0.00000
465 8.2703 0.00000
466 8.2918 0.00000
467 8.3335 0.00000
468 8.3676 0.00000
469 8.4199 0.00000
470 8.4722 0.00000
471 8.4743 0.00000
472 8.5179 0.00000
473 8.5303 0.00000
474 8.6475 0.00000
475 8.6818 0.00000
476 8.7070 0.00000
477 8.8512 0.00000
478 8.8516 0.00000
479 8.8519 0.00000
480 8.9675 0.00000
481 9.0312 0.00000
482 9.0582 0.00000
483 9.1059 0.00000
484 9.1195 0.00000
485 9.1244 0.00000
486 9.1711 0.00000
487 9.2091 0.00000
488 9.2333 0.00000
489 9.2396 0.00000
490 9.2871 0.00000
491 9.3541 0.00000
492 9.3786 0.00000
493 9.4385 0.00000
494 9.4931 0.00000
495 9.5187 0.00000
496 9.5237 0.00000
497 9.5284 0.00000
498 9.5341 0.00000
499 9.5631 0.00000
500 9.6106 0.00000
501 9.6376 0.00000
502 9.6511 0.00000
503 9.7257 0.00000
504 9.7469 0.00000
505 9.7635 0.00000
506 9.8089 0.00000
507 9.8098 0.00000
508 9.8382 0.00000
509 9.8927 0.00000
510 9.9001 0.00000
511 9.9777 0.00000
512 9.9819 0.00000
513 10.0184 0.00000
514 10.0481 0.00000
515 10.0678 0.00000
516 10.0815 0.00000
517 10.0833 0.00000
518 10.0912 0.00000
519 10.1302 0.00000
520 10.1854 0.00000
521 10.2481 0.00000
522 10.3041 0.00000
523 10.3083 0.00000
524 10.3296 0.00000
525 10.3535 0.00000
526 10.3954 0.00000
527 10.3959 0.00000
528 10.4181 0.00000
529 10.4758 0.00000
530 10.5128 0.00000
531 10.5462 0.00000
532 10.5552 0.00000
533 10.6511 0.00000
534 10.6640 0.00000
535 10.7324 0.00000
536 10.7867 0.00000
537 10.8174 0.00000
538 10.8473 0.00000
539 10.8927 0.00000
540 10.9112 0.00000
541 10.9282 0.00000
542 10.9520 0.00000
543 10.9674 0.00000
544 10.9742 0.00000
545 10.9991 0.00000
546 11.0362 0.00000
547 11.0402 0.00000
548 11.1213 0.00000
549 11.1817 0.00000
550 11.2241 0.00000
551 11.2525 0.00000
552 11.2649 0.00000
553 11.3014 0.00000
554 11.3336 0.00000
555 11.3382 0.00000
556 11.3534 0.00000
557 11.3638 0.00000
558 11.3774 0.00000
559 11.3815 0.00000
560 11.5190 0.00000
561 11.5694 0.00000
562 11.5720 0.00000
563 11.6226 0.00000
564 11.6673 0.00000
565 11.6720 0.00000
566 11.7141 0.00000
567 11.7233 0.00000
568 11.7245 0.00000
569 11.7279 0.00000
570 11.7762 0.00000
571 11.7867 0.00000
572 11.8740 0.00000
573 11.8957 0.00000
574 11.9017 0.00000
575 11.9854 0.00000
576 12.0172 0.00000
577 12.0253 0.00000
578 12.0401 0.00000
579 12.0462 0.00000
580 12.1775 0.00000
581 12.2352 0.00000
582 12.2597 0.00000
583 12.2654 0.00000
584 12.2735 0.00000
585 12.3058 0.00000
586 12.3138 0.00000
587 12.3513 0.00000
588 12.3746 0.00000
589 12.4014 0.00000
590 12.4151 0.00000
591 12.4395 0.00000
592 12.5045 0.00000
593 12.5264 0.00000
594 12.5461 0.00000
595 12.5706 0.00000
596 12.6170 0.00000
597 12.6245 0.00000
598 12.6262 0.00000
599 12.6483 0.00000
600 12.6775 0.00000
601 12.7525 0.00000
602 12.7601 0.00000
603 12.7735 0.00000
604 12.8026 0.00000
605 12.8492 0.00000
606 12.8840 0.00000
607 12.8913 0.00000
608 12.9115 0.00000
609 12.9241 0.00000
610 12.9326 0.00000
611 12.9727 0.00000
612 13.0425 0.00000
613 13.0787 0.00000
614 13.1427 0.00000
615 13.1505 0.00000
616 13.2170 0.00000
617 13.2212 0.00000
618 13.2392 0.00000
619 13.2567 0.00000
620 13.2795 0.00000
621 13.2969 0.00000
622 13.3178 0.00000
623 13.3473 0.00000
624 13.3661 0.00000
625 13.4452 0.00000
626 13.4694 0.00000
627 13.5049 0.00000
628 13.5308 0.00000
629 13.5335 0.00000
630 13.5618 0.00000
631 13.5957 0.00000
632 13.5979 0.00000
633 13.6296 0.00000
634 13.7412 0.00000
635 13.7515 0.00000
636 13.7630 0.00000
637 13.7709 0.00000
638 13.7883 0.00000
639 13.8034 0.00000
640 13.8138 0.00000
641 13.8588 0.00000
642 13.8673 0.00000
643 13.9057 0.00000
644 13.9171 0.00000
645 13.9481 0.00000
646 13.9516 0.00000
647 13.9558 0.00000
648 13.9869 0.00000
649 13.9955 0.00000
650 14.0869 0.00000
651 14.1453 0.00000
652 14.1853 0.00000
653 14.2384 0.00000
654 14.2394 0.00000
655 14.2429 0.00000
656 14.2636 0.00000
657 14.3348 0.00000
658 14.3688 0.00000
659 14.3729 0.00000
660 14.3782 0.00000
661 14.3790 0.00000
662 14.4689 0.00000
663 14.4695 0.00000
664 14.5015 0.00000
665 14.5125 0.00000
666 14.5430 0.00000
667 14.5565 0.00000
668 14.5599 0.00000
669 14.6011 0.00000
670 14.6519 0.00000
671 14.6604 0.00000
672 14.6774 0.00000
673 14.7099 0.00000
674 14.7166 0.00000
675 14.7853 0.00000
676 14.7877 0.00000
677 14.8282 0.00000
678 14.8291 0.00000
679 14.8377 0.00000
680 14.8419 0.00000
681 14.8660 0.00000
682 14.9328 0.00000
683 14.9696 0.00000
684 14.9827 0.00000
685 14.9993 0.00000
686 15.0167 0.00000
687 15.0556 0.00000
688 15.0776 0.00000
689 15.1258 0.00000
690 15.1636 0.00000
691 15.1875 0.00000
692 15.1946 0.00000
693 15.2340 0.00000
694 15.3309 0.00000
695 15.3379 0.00000
696 15.3392 0.00000
697 15.3514 0.00000
698 15.3533 0.00000
699 15.3544 0.00000
700 15.3899 0.00000
701 15.4735 0.00000
702 15.5207 0.00000
703 15.5533 0.00000
704 15.6493 0.00000
705 15.6611 0.00000
706 15.6737 0.00000
707 15.6874 0.00000
708 15.6951 0.00000
709 15.7077 0.00000
710 15.7401 0.00000
711 15.7433 0.00000
712 15.7460 0.00000
713 15.7798 0.00000
714 15.7854 0.00000
715 15.8168 0.00000
716 15.8389 0.00000
717 15.8401 0.00000
718 15.8505 0.00000
719 15.8618 0.00000
720 15.8959 0.00000
721 15.9443 0.00000
722 15.9564 0.00000
723 16.0093 0.00000
724 16.0310 0.00000
725 16.0329 0.00000
726 16.0405 0.00000
727 16.0650 0.00000
728 16.1081 0.00000
729 16.1565 0.00000
730 16.1651 0.00000
731 16.2085 0.00000
732 16.2124 0.00000
733 16.2341 0.00000
734 16.2466 0.00000
735 16.2615 0.00000
736 16.2810 0.00000
737 16.3042 0.00000
738 16.3225 0.00000
739 16.3953 0.00000
740 16.4315 0.00000
741 16.4331 0.00000
742 16.4432 0.00000
743 16.4609 0.00000
744 16.5155 0.00000
745 16.5485 0.00000
746 16.5845 0.00000
747 16.6070 0.00000
748 16.6319 0.00000
749 16.6545 0.00000
750 16.6576 0.00000
751 16.6698 0.00000
752 16.6802 0.00000
753 16.7025 0.00000
754 16.7333 0.00000
755 16.7379 0.00000
756 16.8029 0.00000
757 16.8072 0.00000
758 16.8119 0.00000
759 16.8179 0.00000
760 16.8208 0.00000
761 16.9518 0.00000
762 16.9536 0.00000
763 16.9776 0.00000
764 17.0216 0.00000
765 17.0830 0.00000
766 17.0964 0.00000
767 17.1140 0.00000
768 17.1488 0.00000
769 17.1631 0.00000
770 17.1787 0.00000
771 17.1832 0.00000
772 17.1971 0.00000
773 17.2012 0.00000
774 17.2314 0.00000
775 17.2544 0.00000
776 17.2719 0.00000
777 17.2977 0.00000
778 17.3562 0.00000
779 17.3684 0.00000
780 17.4290 0.00000
781 17.4398 0.00000
782 17.4688 0.00000
783 17.4827 0.00000
784 17.5245 0.00000
785 17.5307 0.00000
786 17.5436 0.00000
787 17.5539 0.00000
788 17.5895 0.00000
789 17.6140 0.00000
790 17.6365 0.00000
791 17.6867 0.00000
792 17.7163 0.00000
793 17.7508 0.00000
794 17.7517 0.00000
795 17.7948 0.00000
796 17.7988 0.00000
797 17.8103 0.00000
798 17.8374 0.00000
799 17.8603 0.00000
800 17.8728 0.00000
801 17.8824 0.00000
802 17.9048 0.00000
803 17.9184 0.00000
804 17.9925 0.00000
805 18.0291 0.00000
806 18.0672 0.00000
807 18.0782 0.00000
808 18.1073 0.00000
809 18.1144 0.00000
810 18.1290 0.00000
811 18.1571 0.00000
812 18.1681 0.00000
813 18.1872 0.00000
814 18.1883 0.00000
815 18.1951 0.00000
816 18.2185 0.00000
817 18.2432 0.00000
818 18.2764 0.00000
819 18.3160 0.00000
820 18.3288 0.00000
821 18.3400 0.00000
822 18.3847 0.00000
823 18.3855 0.00000
824 18.3918 0.00000
825 18.4050 0.00000
826 18.4360 0.00000
827 18.4486 0.00000
828 18.4555 0.00000
829 18.5246 0.00000
830 18.5293 0.00000
831 18.5983 0.00000
832 18.6147 0.00000
833 18.6482 0.00000
834 18.6716 0.00000
835 18.6798 0.00000
836 18.6914 0.00000
837 18.7088 0.00000
838 18.7245 0.00000
839 18.7811 0.00000
840 18.8007 0.00000
841 18.8059 0.00000
842 18.8609 0.00000
843 18.8633 0.00000
844 18.8891 0.00000
845 18.8901 0.00000
846 18.9130 0.00000
847 18.9587 0.00000
848 18.9593 0.00000
849 19.0197 0.00000
850 19.0199 0.00000
851 19.0340 0.00000
852 19.0605 0.00000
853 19.0636 0.00000
854 19.0713 0.00000
855 19.0780 0.00000
856 19.0897 0.00000
857 19.1054 0.00000
858 19.1093 0.00000
859 19.1477 0.00000
860 19.1648 0.00000
861 19.1769 0.00000
862 19.2622 0.00000
863 19.2787 0.00000
864 19.3017 0.00000
865 19.3064 0.00000
866 19.3272 0.00000
867 19.3298 0.00000
868 19.3328 0.00000
869 19.4199 0.00000
870 19.4663 0.00000
871 19.4754 0.00000
872 19.4809 0.00000
873 19.4869 0.00000
874 19.5185 0.00000
875 19.5258 0.00000
876 19.5709 0.00000
877 19.5736 0.00000
878 19.5801 0.00000
879 19.6013 0.00000
880 19.6437 0.00000
881 19.6686 0.00000
882 19.6854 0.00000
883 19.7198 0.00000
884 19.7207 0.00000
885 19.7307 0.00000
886 19.7542 0.00000
887 19.7772 0.00000
888 19.7985 0.00000
889 19.7991 0.00000
890 19.8596 0.00000
891 19.8975 0.00000
892 19.9273 0.00000
893 19.9515 0.00000
894 19.9744 0.00000
895 19.9803 0.00000
896 20.0704 0.00000
897 20.0735 0.00000
898 20.0826 0.00000
899 20.1154 0.00000
900 20.1293 0.00000
901 20.1834 0.00000
902 20.1841 0.00000
903 20.1866 0.00000
904 20.2448 0.00000
905 20.2488 0.00000
906 20.2491 0.00000
907 20.2545 0.00000
908 20.2603 0.00000
909 20.2767 0.00000
910 20.3142 0.00000
911 20.3162 0.00000
912 20.3407 0.00000
913 20.3538 0.00000
914 20.3820 0.00000
915 20.3851 0.00000
916 20.3932 0.00000
917 20.4368 0.00000
918 20.4565 0.00000
919 20.4980 0.00000
920 20.5128 0.00000
921 20.5281 0.00000
922 20.5491 0.00000
923 20.5504 0.00000
924 20.5711 0.00000
925 20.6229 0.00000
926 20.6541 0.00000
927 20.6599 0.00000
928 20.7703 0.00000
929 20.7760 0.00000
930 20.7795 0.00000
931 20.7900 0.00000
932 20.7973 0.00000
933 20.8029 0.00000
934 20.8675 0.00000
935 20.8809 0.00000
936 20.8983 0.00000
937 20.9355 0.00000
938 20.9360 0.00000
939 20.9758 0.00000
940 21.0171 0.00000
941 21.0354 0.00000
942 21.0382 0.00000
943 21.0751 0.00000
944 21.0863 0.00000
945 21.1458 0.00000
946 21.1531 0.00000
947 21.1665 0.00000
948 21.1826 0.00000
949 21.1878 0.00000
950 21.2241 0.00000
951 21.3015 0.00000
952 21.3025 0.00000
953 21.3043 0.00000
954 21.3762 0.00000
955 21.3844 0.00000
956 21.4097 0.00000
957 21.4187 0.00000
958 21.4482 0.00000
959 21.4535 0.00000
960 21.4846 0.00000
961 21.4971 0.00000
962 21.5007 0.00000
963 21.5102 0.00000
964 21.5179 0.00000
965 21.5529 0.00000
966 21.5545 0.00000
967 21.5944 0.00000
968 21.6025 0.00000
969 21.6109 0.00000
970 21.6374 0.00000
971 21.6436 0.00000
972 21.6608 0.00000
973 21.6891 0.00000
974 21.7680 0.00000
975 21.8050 0.00000
976 21.8144 0.00000
977 21.8257 0.00000
978 21.8294 0.00000
979 21.8300 0.00000
980 21.8841 0.00000
981 21.9645 0.00000
982 21.9700 0.00000
983 21.9960 0.00000
984 22.0011 0.00000
985 22.0158 0.00000
986 22.0249 0.00000
987 22.0495 0.00000
988 22.0534 0.00000
989 22.0946 0.00000
990 22.0953 0.00000
991 22.1130 0.00000
992 22.1286 0.00000
993 22.1686 0.00000
994 22.1801 0.00000
995 22.2049 0.00000
996 22.2282 0.00000
997 22.2556 0.00000
998 22.2950 0.00000
999 22.3177 0.00000
1000 22.3301 0.00000
1001 22.3606 0.00000
1002 22.3778 0.00000
1003 22.3781 0.00000
1004 22.3805 0.00000
1005 22.3948 0.00000
1006 22.4348 0.00000
1007 22.4591 0.00000
1008 22.4773 0.00000
1009 22.4782 0.00000
1010 22.4788 0.00000
1011 22.5028 0.00000
1012 22.5339 0.00000
1013 22.5501 0.00000
1014 22.6181 0.00000
1015 22.6227 0.00000
1016 22.6232 0.00000
1017 22.6282 0.00000
1018 22.6508 0.00000
1019 22.6889 0.00000
1020 22.7297 0.00000
1021 22.7469 0.00000
1022 22.7617 0.00000
1023 22.7908 0.00000
1024 22.7931 0.00000
1025 22.7939 0.00000
1026 22.8124 0.00000
1027 22.8382 0.00000
1028 22.8760 0.00000
1029 22.9051 0.00000
1030 22.9143 0.00000
1031 22.9530 0.00000
1032 22.9890 0.00000
1033 22.9930 0.00000
1034 23.0016 0.00000
1035 23.0459 0.00000
1036 23.0533 0.00000
1037 23.1104 0.00000
1038 23.1226 0.00000
1039 23.1392 0.00000
1040 23.1582 0.00000
1041 23.1584 0.00000
1042 23.1682 0.00000
1043 23.1966 0.00000
1044 23.2080 0.00000
1045 23.2230 0.00000
1046 23.2594 0.00000
1047 23.2799 0.00000
1048 23.3057 0.00000
1049 23.3419 0.00000
1050 23.3575 0.00000
1051 23.3644 0.00000
1052 23.3807 0.00000
1053 23.3838 0.00000
1054 23.3992 0.00000
1055 23.4539 0.00000
1056 23.4988 0.00000
1057 23.4997 0.00000
1058 23.5027 0.00000
1059 23.5547 0.00000
1060 23.5656 0.00000
1061 23.5770 0.00000
1062 23.5820 0.00000
1063 23.6557 0.00000
1064 23.6630 0.00000
1065 23.6746 0.00000
1066 23.6855 0.00000
1067 23.6904 0.00000
1068 23.6954 0.00000
1069 23.6976 0.00000
1070 23.7315 0.00000
1071 23.7404 0.00000
1072 23.8168 0.00000
1073 23.8368 0.00000
1074 23.8392 0.00000
1075 23.8624 0.00000
1076 23.8642 0.00000
1077 23.8722 0.00000
1078 23.9267 0.00000
1079 23.9569 0.00000
1080 23.9887 0.00000
1081 23.9958 0.00000
1082 24.0320 0.00000
1083 24.0436 0.00000
1084 24.0849 0.00000
1085 24.0985 0.00000
1086 24.1161 0.00000
1087 24.1214 0.00000
1088 24.1724 0.00000
1089 24.2091 0.00000
1090 24.2111 0.00000
1091 24.2164 0.00000
1092 24.2496 0.00000
1093 24.2718 0.00000
1094 24.2814 0.00000
1095 24.2861 0.00000
1096 24.3139 0.00000
1097 24.3258 0.00000
1098 24.3503 0.00000
1099 24.3677 0.00000
1100 24.3898 0.00000
1101 24.4044 0.00000
1102 24.4172 0.00000
1103 24.4639 0.00000
1104 24.4756 0.00000
1105 24.4878 0.00000
1106 24.4923 0.00000
1107 24.5230 0.00000
1108 24.5354 0.00000
1109 24.5539 0.00000
1110 24.5643 0.00000
1111 24.5804 0.00000
1112 24.6084 0.00000
1113 24.6300 0.00000
1114 24.6421 0.00000
1115 24.6724 0.00000
1116 24.6937 0.00000
1117 24.7157 0.00000
1118 24.7510 0.00000
1119 24.7624 0.00000
1120 24.7898 0.00000
1121 24.8084 0.00000
1122 24.8250 0.00000
1123 24.8341 0.00000
1124 24.8712 0.00000
1125 24.8788 0.00000
1126 24.9178 0.00000
1127 24.9359 0.00000
1128 24.9671 0.00000
1129 24.9922 0.00000
1130 25.0027 0.00000
1131 25.0311 0.00000
1132 25.0925 0.00000
1133 25.1107 0.00000
1134 25.1225 0.00000
1135 25.1307 0.00000
1136 25.1534 0.00000
1137 25.1719 0.00000
1138 25.1881 0.00000
1139 25.2270 0.00000
1140 25.2462 0.00000
1141 25.2958 0.00000
1142 25.3252 0.00000
1143 25.3480 0.00000
1144 25.3753 0.00000
1145 25.3981 0.00000
1146 25.4360 0.00000
1147 25.4609 0.00000
1148 25.4857 0.00000
1149 25.5471 0.00000
1150 25.5938 0.00000
1151 25.6257 0.00000
1152 25.6855 0.00000
k-point 4 : 0.3333 0.3333 0.0000
band No. band energies occupation
1 -76.4224 1.00000
2 -76.4222 1.00000
3 -76.4222 1.00000
4 -76.4220 1.00000
5 -76.4214 1.00000
6 -76.4212 1.00000
7 -76.4208 1.00000
8 -76.4206 1.00000
9 -40.7764 1.00000
10 -40.7745 1.00000
11 -40.7738 1.00000
12 -40.7732 1.00000
13 -40.7712 1.00000
14 -40.7685 1.00000
15 -40.7683 1.00000
16 -40.7673 1.00000
17 -40.7556 1.00000
18 -40.7547 1.00000
19 -40.7525 1.00000
20 -40.7492 1.00000
21 -40.7426 1.00000
22 -40.7423 1.00000
23 -40.7418 1.00000
24 -40.7390 1.00000
25 -40.6998 1.00000
26 -40.6993 1.00000
27 -40.6973 1.00000
28 -40.6962 1.00000
29 -40.6905 1.00000
30 -40.6898 1.00000
31 -40.6889 1.00000
32 -40.6878 1.00000
33 -24.0544 1.00000
34 -24.0485 1.00000
35 -24.0445 1.00000
36 -24.0433 1.00000
37 -24.0367 1.00000
38 -24.0350 1.00000
39 -24.0343 1.00000
40 -24.0337 1.00000
41 -24.0026 1.00000
42 -23.9961 1.00000
43 -23.9908 1.00000
44 -23.9898 1.00000
45 -23.9834 1.00000
46 -23.9807 1.00000
47 -23.9807 1.00000
48 -23.9790 1.00000
49 -23.9163 1.00000
50 -23.9157 1.00000
51 -23.8916 1.00000
52 -23.8875 1.00000
53 -23.8565 1.00000
54 -23.8559 1.00000
55 -23.8348 1.00000
56 -23.8303 1.00000
57 -23.8293 1.00000
58 -23.8281 1.00000
59 -23.8276 1.00000
60 -23.8268 1.00000
61 -23.8233 1.00000
62 -23.8230 1.00000
63 -23.8206 1.00000
64 -23.8185 1.00000
65 -23.7925 1.00000
66 -23.7917 1.00000
67 -23.7814 1.00000
68 -23.7804 1.00000
69 -23.7759 1.00000
70 -23.7735 1.00000
71 -23.7710 1.00000
72 -23.7697 1.00000
73 -23.7655 1.00000
74 -23.7651 1.00000
75 -23.7645 1.00000
76 -23.7633 1.00000
77 -23.7592 1.00000
78 -23.7584 1.00000
79 -23.7579 1.00000
80 -23.7578 1.00000
81 -23.7483 1.00000
82 -23.7481 1.00000
83 -23.7295 1.00000
84 -23.7266 1.00000
85 -23.7263 1.00000
86 -23.7246 1.00000
87 -23.7243 1.00000
88 -23.7211 1.00000
89 -23.7139 1.00000
90 -23.7131 1.00000
91 -23.7103 1.00000
92 -23.7092 1.00000
93 -23.7090 1.00000
94 -23.7072 1.00000
95 -23.6894 1.00000
96 -23.6837 1.00000
97 -23.6708 1.00000
98 -23.6650 1.00000
99 -23.6612 1.00000
100 -23.6571 1.00000
101 -23.6350 1.00000
102 -23.6334 1.00000
103 -23.6316 1.00000
104 -23.6264 1.00000
105 -23.6260 1.00000
106 -23.6217 1.00000
107 -23.6185 1.00000
108 -23.6169 1.00000
109 -23.5909 1.00000
110 -23.5867 1.00000
111 -23.5808 1.00000
112 -23.5716 1.00000
113 -20.2104 1.00000
114 -20.0637 1.00000
115 -20.0252 1.00000
116 -19.9090 1.00000
117 -19.6163 1.00000
118 -19.5827 1.00000
119 -19.5333 1.00000
120 -19.5072 1.00000
121 -19.3856 1.00000
122 -19.3290 1.00000
123 -19.3023 1.00000
124 -19.2882 1.00000
125 -19.2843 1.00000
126 -19.2769 1.00000
127 -19.2045 1.00000
128 -19.2042 1.00000
129 -18.9335 1.00000
130 -18.9010 1.00000
131 -18.8981 1.00000
132 -18.8685 1.00000
133 -18.8485 1.00000
134 -18.8350 1.00000
135 -18.8008 1.00000
136 -18.7613 1.00000
137 -18.6540 1.00000
138 -18.6294 1.00000
139 -18.5800 1.00000
140 -18.5770 1.00000
141 -18.5332 1.00000
142 -18.5233 1.00000
143 -18.4984 1.00000
144 -18.4823 1.00000
145 -18.3452 1.00000
146 -18.3402 1.00000
147 -18.3396 1.00000
148 -18.3205 1.00000
149 -18.3028 1.00000
150 -18.2890 1.00000
151 -18.2739 1.00000
152 -18.2728 1.00000
153 -17.9008 1.00000
154 -17.8975 1.00000
155 -17.8813 1.00000
156 -17.8737 1.00000
157 -17.6539 1.00000
158 -17.6443 1.00000
159 -17.6417 1.00000
160 -17.6383 1.00000
161 -11.6653 1.00000
162 -11.5928 1.00000
163 -11.5381 1.00000
164 -11.4998 1.00000
165 -11.3693 1.00000
166 -11.3358 1.00000
167 -11.2633 1.00000
168 -11.2413 1.00000
169 -10.5595 1.00000
170 -10.5265 1.00000
171 -10.4820 1.00000
172 -10.4545 1.00000
173 -10.2414 1.00000
174 -10.2307 1.00000
175 -10.1317 1.00000
176 -10.1015 1.00000
177 -7.4465 1.00000
178 -7.3778 1.00000
179 -7.3749 1.00000
180 -7.3149 1.00000
181 -7.2066 1.00000
182 -7.1415 1.00000
183 -7.1045 1.00000
184 -7.0902 1.00000
185 -7.0378 1.00000
186 -7.0367 1.00000
187 -6.9619 1.00000
188 -6.9577 1.00000
189 -6.9470 1.00000
190 -6.9008 1.00000
191 -6.8205 1.00000
192 -6.7342 1.00000
193 -6.6481 1.00000
194 -6.6432 1.00000
195 -6.6178 1.00000
196 -6.5165 1.00000
197 -6.4797 1.00000
198 -6.4267 1.00000
199 -6.4237 1.00000
200 -6.2607 1.00000
201 -6.2392 1.00000
202 -6.2310 1.00000
203 -6.1816 1.00000
204 -6.1500 1.00000
205 -6.1485 1.00000
206 -6.1273 1.00000
207 -6.1203 1.00000
208 -6.0528 1.00000
209 -5.9615 1.00000
210 -5.9574 1.00000
211 -5.9291 1.00000
212 -5.9118 1.00000
213 -5.8414 1.00000
214 -5.8413 1.00000
215 -5.8066 1.00000
216 -5.7673 1.00000
217 -5.7503 1.00000
218 -5.6755 1.00000
219 -5.6118 1.00000
220 -5.5714 1.00000
221 -5.5076 1.00000
222 -5.4808 1.00000
223 -5.4437 1.00000
224 -5.4103 1.00000
225 -5.2634 1.00000
226 -5.2522 1.00000
227 -5.1483 1.00000
228 -5.1144 1.00000
229 -4.9711 1.00000
230 -4.9555 1.00000
231 -4.9242 1.00000
232 -4.9023 1.00000
233 -4.8660 1.00000
234 -4.8494 1.00000
235 -4.7401 1.00000
236 -4.7178 1.00000
237 -4.7009 1.00000
238 -4.6421 1.00000
239 -4.5662 1.00000
240 -4.5610 1.00000
241 -4.5497 1.00000
242 -4.5161 1.00000
243 -4.3991 1.00000
244 -4.3753 1.00000
245 -4.3200 1.00000
246 -4.3033 1.00000
247 -4.3011 1.00000
248 -4.2051 1.00000
249 -4.1678 1.00000
250 -4.1660 1.00000
251 -4.1128 1.00000
252 -4.0863 1.00000
253 -4.0303 1.00000
254 -4.0077 1.00000
255 -3.9926 1.00000
256 -3.8876 1.00000
257 -3.8802 1.00000
258 -3.8317 1.00000
259 -3.8262 1.00000
260 -3.7225 1.00000
261 -3.7185 1.00000
262 -3.6283 1.00000
263 -3.6189 1.00000
264 -3.6121 1.00000
265 -3.5947 1.00000
266 -3.5515 1.00000
267 -3.5377 1.00000
268 -3.5155 1.00000
269 -3.4574 1.00000
270 -3.4414 1.00000
271 -3.4400 1.00000
272 -3.3812 1.00000
273 -3.3509 1.00000
274 -3.3431 1.00000
275 -3.3233 1.00000
276 -3.2508 1.00000
277 -3.2420 1.00000
278 -3.2220 1.00000
279 -3.2174 1.00000
280 -3.1453 1.00000
281 -3.1364 1.00000
282 -3.1256 1.00000
283 -3.1112 1.00000
284 -3.0664 1.00000
285 -3.0306 1.00000
286 -3.0273 1.00000
287 -3.0062 1.00000
288 -2.9418 1.00000
289 -2.9142 1.00000
290 -2.9126 1.00000
291 -2.9040 1.00000
292 -2.8283 1.00000
293 -2.8252 1.00000
294 -2.8238 1.00000
295 -2.8080 1.00000
296 -2.7768 1.00000
297 -2.7347 1.00000
298 -2.7052 1.00000
299 -2.7023 1.00000
300 -2.7008 1.00000
301 -2.6716 1.00000
302 -2.6575 1.00000
303 -2.6328 1.00000
304 -2.5737 1.00000
305 -2.5268 1.00000
306 -2.5264 1.00000
307 -2.4882 1.00000
308 -2.4869 1.00000
309 -2.4220 1.00000
310 -2.3919 1.00000
311 -2.3484 1.00000
312 -2.3157 1.00000
313 -2.3056 1.00000
314 -2.2999 1.00000
315 -2.2689 1.00000
316 -2.1969 1.00000
317 -2.1910 1.00000
318 -2.1345 1.00000
319 -2.1204 1.00000
320 -2.0391 1.00000
321 0.7960 0.00000
322 0.8891 0.00000
323 0.9145 0.00000
324 0.9876 0.00000
325 1.0362 0.00000
326 1.0972 0.00000
327 1.1132 0.00000
328 1.1148 0.00000
329 1.1881 0.00000
330 1.2517 0.00000
331 1.2966 0.00000
332 1.3057 0.00000
333 1.4002 0.00000
334 1.4447 0.00000
335 1.5250 0.00000
336 1.5459 0.00000
337 1.6224 0.00000
338 1.6394 0.00000
339 1.6415 0.00000
340 1.7289 0.00000
341 1.7468 0.00000
342 1.7580 0.00000
343 1.8618 0.00000
344 1.9832 0.00000
345 1.9956 0.00000
346 2.0534 0.00000
347 2.0703 0.00000
348 2.1157 0.00000
349 2.1226 0.00000
350 2.1631 0.00000
351 2.1661 0.00000
352 2.2880 0.00000
353 2.4247 0.00000
354 2.5935 0.00000
355 2.6165 0.00000
356 2.6532 0.00000
357 2.7159 0.00000
358 2.7543 0.00000
359 2.8024 0.00000
360 2.8233 0.00000
361 2.9379 0.00000
362 3.0751 0.00000
363 3.0970 0.00000
364 3.1839 0.00000
365 3.2174 0.00000
366 3.2608 0.00000
367 3.3938 0.00000
368 3.4343 0.00000
369 3.5061 0.00000
370 3.5876 0.00000
371 3.6120 0.00000
372 3.6249 0.00000
373 3.6894 0.00000
374 3.7311 0.00000
375 3.8263 0.00000
376 3.8521 0.00000
377 3.8717 0.00000
378 3.9328 0.00000
379 4.0080 0.00000
380 4.0165 0.00000
381 4.0386 0.00000
382 4.1326 0.00000
383 4.1869 0.00000
384 4.1999 0.00000
385 4.3307 0.00000
386 4.3367 0.00000
387 4.3431 0.00000
388 4.4234 0.00000
389 4.4261 0.00000
390 4.4673 0.00000
391 4.4797 0.00000
392 4.5901 0.00000
393 4.6168 0.00000
394 4.6464 0.00000
395 4.6685 0.00000
396 4.7157 0.00000
397 4.7827 0.00000
398 4.7878 0.00000
399 4.8234 0.00000
400 4.8332 0.00000
401 4.8803 0.00000
402 4.9216 0.00000
403 4.9338 0.00000
404 5.0299 0.00000
405 5.0533 0.00000
406 5.0538 0.00000
407 5.2142 0.00000
408 5.2252 0.00000
409 5.2447 0.00000
410 5.2470 0.00000
411 5.3374 0.00000
412 5.4379 0.00000
413 5.4399 0.00000
414 5.4768 0.00000
415 5.5068 0.00000
416 5.7004 0.00000
417 5.7175 0.00000
418 5.7547 0.00000
419 5.8093 0.00000
420 5.8475 0.00000
421 5.9957 0.00000
422 6.0243 0.00000
423 6.0347 0.00000
424 6.1053 0.00000
425 6.1113 0.00000
426 6.1372 0.00000
427 6.1378 0.00000
428 6.2375 0.00000
429 6.2972 0.00000
430 6.3086 0.00000
431 6.4595 0.00000
432 6.4982 0.00000
433 6.5854 0.00000
434 6.6819 0.00000
435 6.6877 0.00000
436 6.7488 0.00000
437 6.8229 0.00000
438 6.8441 0.00000
439 6.9118 0.00000
440 6.9690 0.00000
441 7.0476 0.00000
442 7.1575 0.00000
443 7.2074 0.00000
444 7.2337 0.00000
445 7.2341 0.00000
446 7.2468 0.00000
447 7.3210 0.00000
448 7.3433 0.00000
449 7.3609 0.00000
450 7.4838 0.00000
451 7.5032 0.00000
452 7.5127 0.00000
453 7.6846 0.00000
454 7.6896 0.00000
455 7.6966 0.00000
456 7.7047 0.00000
457 7.8229 0.00000
458 7.8831 0.00000
459 8.0242 0.00000
460 8.0645 0.00000
461 8.0753 0.00000
462 8.1133 0.00000
463 8.1255 0.00000
464 8.1847 0.00000
465 8.2264 0.00000
466 8.2574 0.00000
467 8.2734 0.00000
468 8.4522 0.00000
469 8.5068 0.00000
470 8.5743 0.00000
471 8.6084 0.00000
472 8.6098 0.00000
473 8.6281 0.00000
474 8.6548 0.00000
475 8.6899 0.00000
476 8.7229 0.00000
477 8.7414 0.00000
478 8.7759 0.00000
479 8.7829 0.00000
480 8.7842 0.00000
481 8.8320 0.00000
482 8.8322 0.00000
483 8.9197 0.00000
484 8.9532 0.00000
485 9.0405 0.00000
486 9.0935 0.00000
487 9.1798 0.00000
488 9.1925 0.00000
489 9.2122 0.00000
490 9.2539 0.00000
491 9.2555 0.00000
492 9.2787 0.00000
493 9.3328 0.00000
494 9.3676 0.00000
495 9.4045 0.00000
496 9.4351 0.00000
497 9.5543 0.00000
498 9.5594 0.00000
499 9.5682 0.00000
500 9.6158 0.00000
501 9.6544 0.00000
502 9.6692 0.00000
503 9.6925 0.00000
504 9.7384 0.00000
505 9.7384 0.00000
506 9.8325 0.00000
507 9.8425 0.00000
508 9.8493 0.00000
509 9.9046 0.00000
510 9.9196 0.00000
511 10.0379 0.00000
512 10.0551 0.00000
513 10.1043 0.00000
514 10.1043 0.00000
515 10.1614 0.00000
516 10.2020 0.00000
517 10.2210 0.00000
518 10.2626 0.00000
519 10.2669 0.00000
520 10.2926 0.00000
521 10.3113 0.00000
522 10.3967 0.00000
523 10.4027 0.00000
524 10.4600 0.00000
525 10.5193 0.00000
526 10.5322 0.00000
527 10.5336 0.00000
528 10.5702 0.00000
529 10.5889 0.00000
530 10.6826 0.00000
531 10.6982 0.00000
532 10.7173 0.00000
533 10.7682 0.00000
534 10.7867 0.00000
535 10.8293 0.00000
536 10.8464 0.00000
537 10.8887 0.00000
538 10.9681 0.00000
539 10.9716 0.00000
540 10.9837 0.00000
541 10.9855 0.00000
542 11.0129 0.00000
543 11.0309 0.00000
544 11.0484 0.00000
545 11.0567 0.00000
546 11.0929 0.00000
547 11.0964 0.00000
548 11.1275 0.00000
549 11.2095 0.00000
550 11.2197 0.00000
551 11.2276 0.00000
552 11.2325 0.00000
553 11.2388 0.00000
554 11.2826 0.00000
555 11.3531 0.00000
556 11.3584 0.00000
557 11.3704 0.00000
558 11.4355 0.00000
559 11.4640 0.00000
560 11.4763 0.00000
561 11.5242 0.00000
562 11.5815 0.00000
563 11.5931 0.00000
564 11.6315 0.00000
565 11.7141 0.00000
566 11.7282 0.00000
567 11.7719 0.00000
568 11.7987 0.00000
569 11.8302 0.00000
570 11.8332 0.00000
571 11.8667 0.00000
572 11.8898 0.00000
573 11.9339 0.00000
574 11.9527 0.00000
575 11.9575 0.00000
576 11.9907 0.00000
577 11.9945 0.00000
578 12.0441 0.00000
579 12.1111 0.00000
580 12.1307 0.00000
581 12.1453 0.00000
582 12.1881 0.00000
583 12.2323 0.00000
584 12.2423 0.00000
585 12.2725 0.00000
586 12.2964 0.00000
587 12.3275 0.00000
588 12.3926 0.00000
589 12.3961 0.00000
590 12.4219 0.00000
591 12.4687 0.00000
592 12.4755 0.00000
593 12.4840 0.00000
594 12.4935 0.00000
595 12.4939 0.00000
596 12.5183 0.00000
597 12.5995 0.00000
598 12.6405 0.00000
599 12.6666 0.00000
600 12.7171 0.00000
601 12.7360 0.00000
602 12.7385 0.00000
603 12.7652 0.00000
604 12.8070 0.00000
605 12.8658 0.00000
606 12.8790 0.00000
607 12.9505 0.00000
608 12.9541 0.00000
609 12.9814 0.00000
610 13.0418 0.00000
611 13.0545 0.00000
612 13.0824 0.00000
613 13.1019 0.00000
614 13.1103 0.00000
615 13.1513 0.00000
616 13.1541 0.00000
617 13.1832 0.00000
618 13.2302 0.00000
619 13.2327 0.00000
620 13.2961 0.00000
621 13.3020 0.00000
622 13.3308 0.00000
623 13.3337 0.00000
624 13.3505 0.00000
625 13.3534 0.00000
626 13.3933 0.00000
627 13.4387 0.00000
628 13.4469 0.00000
629 13.4751 0.00000
630 13.5282 0.00000
631 13.5318 0.00000
632 13.5354 0.00000
633 13.5755 0.00000
634 13.5915 0.00000
635 13.6256 0.00000
636 13.6635 0.00000
637 13.6802 0.00000
638 13.7298 0.00000
639 13.7402 0.00000
640 13.7480 0.00000
641 13.7924 0.00000
642 13.8454 0.00000
643 13.9004 0.00000
644 13.9306 0.00000
645 13.9563 0.00000
646 13.9953 0.00000
647 13.9957 0.00000
648 14.0002 0.00000
649 14.0185 0.00000
650 14.0359 0.00000
651 14.0743 0.00000
652 14.0795 0.00000
653 14.1356 0.00000
654 14.1379 0.00000
655 14.1730 0.00000
656 14.2512 0.00000
657 14.2574 0.00000
658 14.2587 0.00000
659 14.3357 0.00000
660 14.3522 0.00000
661 14.3669 0.00000
662 14.3959 0.00000
663 14.4385 0.00000
664 14.4606 0.00000
665 14.4619 0.00000
666 14.4956 0.00000
667 14.5438 0.00000
668 14.5529 0.00000
669 14.5542 0.00000
670 14.6057 0.00000
671 14.6186 0.00000
672 14.6207 0.00000
673 14.6667 0.00000
674 14.7260 0.00000
675 14.7322 0.00000
676 14.7482 0.00000
677 14.7759 0.00000
678 14.8243 0.00000
679 14.8280 0.00000
680 14.8363 0.00000
681 14.8536 0.00000
682 14.9080 0.00000
683 14.9112 0.00000
684 14.9841 0.00000
685 15.0180 0.00000
686 15.0200 0.00000
687 15.0353 0.00000
688 15.0901 0.00000
689 15.1151 0.00000
690 15.1621 0.00000
691 15.1866 0.00000
692 15.1881 0.00000
693 15.1957 0.00000
694 15.2093 0.00000
695 15.2667 0.00000
696 15.2918 0.00000
697 15.3102 0.00000
698 15.3357 0.00000
699 15.3757 0.00000
700 15.3904 0.00000
701 15.4205 0.00000
702 15.4378 0.00000
703 15.4705 0.00000
704 15.4825 0.00000
705 15.5193 0.00000
706 15.5451 0.00000
707 15.5699 0.00000
708 15.5985 0.00000
709 15.6123 0.00000
710 15.6333 0.00000
711 15.6485 0.00000
712 15.6633 0.00000
713 15.7267 0.00000
714 15.7414 0.00000
715 15.7460 0.00000
716 15.7852 0.00000
717 15.7949 0.00000
718 15.8601 0.00000
719 15.8656 0.00000
720 15.8903 0.00000
721 15.9236 0.00000
722 15.9401 0.00000
723 15.9685 0.00000
724 16.0139 0.00000
725 16.0233 0.00000
726 16.0480 0.00000
727 16.0751 0.00000
728 16.0913 0.00000
729 16.1140 0.00000
730 16.1307 0.00000
731 16.1774 0.00000
732 16.1949 0.00000
733 16.2658 0.00000
734 16.2910 0.00000
735 16.2971 0.00000
736 16.3195 0.00000
737 16.3534 0.00000
738 16.3839 0.00000
739 16.3946 0.00000
740 16.4115 0.00000
741 16.4278 0.00000
742 16.4968 0.00000
743 16.5154 0.00000
744 16.5802 0.00000
745 16.5871 0.00000
746 16.6463 0.00000
747 16.6827 0.00000
748 16.6981 0.00000
749 16.7169 0.00000
750 16.7319 0.00000
751 16.7514 0.00000
752 16.7527 0.00000
753 16.7828 0.00000
754 16.8035 0.00000
755 16.8068 0.00000
756 16.8461 0.00000
757 16.8586 0.00000
758 16.8825 0.00000
759 16.9108 0.00000
760 16.9175 0.00000
761 16.9461 0.00000
762 16.9834 0.00000
763 16.9872 0.00000
764 17.0137 0.00000
765 17.0155 0.00000
766 17.0436 0.00000
767 17.0498 0.00000
768 17.0724 0.00000
769 17.1245 0.00000
770 17.1464 0.00000
771 17.1887 0.00000
772 17.1965 0.00000
773 17.2069 0.00000
774 17.2263 0.00000
775 17.2359 0.00000
776 17.2656 0.00000
777 17.2898 0.00000
778 17.2963 0.00000
779 17.3362 0.00000
780 17.3874 0.00000
781 17.4088 0.00000
782 17.4181 0.00000
783 17.4490 0.00000
784 17.4502 0.00000
785 17.5401 0.00000
786 17.5504 0.00000
787 17.5630 0.00000
788 17.5829 0.00000
789 17.6143 0.00000
790 17.6334 0.00000
791 17.6978 0.00000
792 17.7047 0.00000
793 17.7248 0.00000
794 17.7345 0.00000
795 17.7506 0.00000
796 17.7729 0.00000
797 17.8138 0.00000
798 17.8364 0.00000
799 17.8597 0.00000
800 17.8788 0.00000
801 17.8857 0.00000
802 17.8961 0.00000
803 17.9023 0.00000
804 17.9150 0.00000
805 17.9977 0.00000
806 18.0397 0.00000
807 18.0398 0.00000
808 18.0551 0.00000
809 18.1093 0.00000
810 18.1118 0.00000
811 18.1123 0.00000
812 18.1191 0.00000
813 18.1712 0.00000
814 18.1721 0.00000
815 18.2203 0.00000
816 18.2396 0.00000
817 18.2591 0.00000
818 18.3033 0.00000
819 18.3230 0.00000
820 18.3661 0.00000
821 18.4015 0.00000
822 18.4394 0.00000
823 18.4444 0.00000
824 18.4695 0.00000
825 18.4733 0.00000
826 18.4961 0.00000
827 18.5359 0.00000
828 18.6011 0.00000
829 18.6095 0.00000
830 18.6100 0.00000
831 18.6453 0.00000
832 18.6535 0.00000
833 18.6664 0.00000
834 18.7052 0.00000
835 18.7385 0.00000
836 18.7739 0.00000
837 18.7916 0.00000
838 18.8128 0.00000
839 18.8319 0.00000
840 18.8692 0.00000
841 18.8782 0.00000
842 18.8880 0.00000
843 18.9028 0.00000
844 18.9240 0.00000
845 18.9354 0.00000
846 18.9759 0.00000
847 18.9846 0.00000
848 19.0175 0.00000
849 19.0657 0.00000
850 19.0830 0.00000
851 19.1153 0.00000
852 19.1432 0.00000
853 19.1519 0.00000
854 19.1750 0.00000
855 19.1893 0.00000
856 19.2025 0.00000
857 19.2153 0.00000
858 19.2516 0.00000
859 19.3025 0.00000
860 19.3279 0.00000
861 19.3814 0.00000
862 19.3853 0.00000
863 19.4037 0.00000
864 19.4187 0.00000
865 19.4245 0.00000
866 19.4536 0.00000
867 19.4547 0.00000
868 19.4892 0.00000
869 19.5000 0.00000
870 19.5428 0.00000
871 19.5616 0.00000
872 19.5792 0.00000
873 19.5810 0.00000
874 19.5878 0.00000
875 19.6436 0.00000
876 19.6914 0.00000
877 19.6982 0.00000
878 19.7201 0.00000
879 19.7276 0.00000
880 19.7625 0.00000
881 19.8036 0.00000
882 19.8053 0.00000
883 19.8152 0.00000
884 19.8200 0.00000
885 19.8720 0.00000
886 19.9096 0.00000
887 19.9524 0.00000
888 19.9538 0.00000
889 19.9703 0.00000
890 20.0050 0.00000
891 20.0125 0.00000
892 20.0176 0.00000
893 20.0503 0.00000
894 20.0557 0.00000
895 20.0762 0.00000
896 20.1245 0.00000
897 20.1273 0.00000
898 20.1323 0.00000
899 20.1760 0.00000
900 20.2103 0.00000
901 20.2281 0.00000
902 20.2285 0.00000
903 20.2645 0.00000
904 20.2981 0.00000
905 20.2988 0.00000
906 20.3309 0.00000
907 20.3655 0.00000
908 20.3782 0.00000
909 20.4100 0.00000
910 20.4270 0.00000
911 20.4569 0.00000
912 20.4582 0.00000
913 20.4787 0.00000
914 20.5035 0.00000
915 20.5104 0.00000
916 20.5365 0.00000
917 20.5380 0.00000
918 20.5695 0.00000
919 20.6082 0.00000
920 20.6143 0.00000
921 20.6436 0.00000
922 20.6645 0.00000
923 20.6681 0.00000
924 20.6834 0.00000
925 20.7303 0.00000
926 20.7446 0.00000
927 20.7832 0.00000
928 20.7848 0.00000
929 20.7873 0.00000
930 20.8372 0.00000
931 20.8403 0.00000
932 20.8405 0.00000
933 20.8858 0.00000
934 20.9175 0.00000
935 20.9451 0.00000
936 20.9529 0.00000
937 20.9891 0.00000
938 20.9926 0.00000
939 21.0206 0.00000
940 21.0332 0.00000
941 21.0658 0.00000
942 21.0664 0.00000
943 21.0767 0.00000
944 21.0971 0.00000
945 21.1285 0.00000
946 21.1588 0.00000
947 21.1663 0.00000
948 21.2134 0.00000
949 21.2235 0.00000
950 21.2264 0.00000
951 21.2449 0.00000
952 21.2587 0.00000
953 21.2941 0.00000
954 21.3118 0.00000
955 21.3296 0.00000
956 21.3441 0.00000
957 21.3721 0.00000
958 21.3746 0.00000
959 21.3754 0.00000
960 21.4192 0.00000
961 21.4428 0.00000
962 21.4493 0.00000
963 21.4797 0.00000
964 21.5077 0.00000
965 21.5093 0.00000
966 21.5321 0.00000
967 21.5397 0.00000
968 21.5645 0.00000
969 21.5746 0.00000
970 21.6201 0.00000
971 21.6230 0.00000
972 21.6541 0.00000
973 21.6874 0.00000
974 21.7006 0.00000
975 21.7108 0.00000
976 21.7402 0.00000
977 21.7493 0.00000
978 21.7942 0.00000
979 21.8088 0.00000
980 21.8095 0.00000
981 21.8178 0.00000
982 21.8675 0.00000
983 21.8863 0.00000
984 21.8980 0.00000
985 21.9026 0.00000
986 21.9249 0.00000
987 21.9439 0.00000
988 21.9652 0.00000
989 21.9736 0.00000
990 21.9953 0.00000
991 22.0336 0.00000
992 22.0341 0.00000
993 22.0858 0.00000
994 22.0968 0.00000
995 22.1001 0.00000
996 22.1171 0.00000
997 22.1588 0.00000
998 22.1750 0.00000
999 22.1763 0.00000
1000 22.2418 0.00000
1001 22.2456 0.00000
1002 22.2478 0.00000
1003 22.2781 0.00000
1004 22.2902 0.00000
1005 22.2953 0.00000
1006 22.3200 0.00000
1007 22.3614 0.00000
1008 22.3620 0.00000
1009 22.3719 0.00000
1010 22.3755 0.00000
1011 22.3863 0.00000
1012 22.4463 0.00000
1013 22.4595 0.00000
1014 22.5066 0.00000
1015 22.5176 0.00000
1016 22.5200 0.00000
1017 22.5258 0.00000
1018 22.5721 0.00000
1019 22.6043 0.00000
1020 22.6396 0.00000
1021 22.6465 0.00000
1022 22.6492 0.00000
1023 22.6493 0.00000
1024 22.6812 0.00000
1025 22.7050 0.00000
1026 22.7365 0.00000
1027 22.7662 0.00000
1028 22.7708 0.00000
1029 22.7847 0.00000
1030 22.7986 0.00000
1031 22.8453 0.00000
1032 22.8455 0.00000
1033 22.8534 0.00000
1034 22.8584 0.00000
1035 22.8795 0.00000
1036 22.9674 0.00000
1037 22.9957 0.00000
1038 23.0020 0.00000
1039 23.0229 0.00000
1040 23.0340 0.00000
1041 23.0707 0.00000
1042 23.0842 0.00000
1043 23.0924 0.00000
1044 23.1216 0.00000
1045 23.1555 0.00000
1046 23.1660 0.00000
1047 23.1953 0.00000
1048 23.2163 0.00000
1049 23.2280 0.00000
1050 23.2347 0.00000
1051 23.2672 0.00000
1052 23.2973 0.00000
1053 23.3007 0.00000
1054 23.3116 0.00000
1055 23.3490 0.00000
1056 23.3728 0.00000
1057 23.3763 0.00000
1058 23.3815 0.00000
1059 23.3901 0.00000
1060 23.4383 0.00000
1061 23.4411 0.00000
1062 23.4516 0.00000
1063 23.4936 0.00000
1064 23.5031 0.00000
1065 23.5165 0.00000
1066 23.5395 0.00000
1067 23.5458 0.00000
1068 23.5798 0.00000
1069 23.6300 0.00000
1070 23.6690 0.00000
1071 23.7084 0.00000
1072 23.7203 0.00000
1073 23.7209 0.00000
1074 23.7342 0.00000
1075 23.7814 0.00000
1076 23.7839 0.00000
1077 23.8153 0.00000
1078 23.8181 0.00000
1079 23.8403 0.00000
1080 23.8620 0.00000
1081 23.8816 0.00000
1082 23.8940 0.00000
1083 23.9227 0.00000
1084 23.9358 0.00000
1085 23.9398 0.00000
1086 23.9447 0.00000
1087 23.9994 0.00000
1088 24.0209 0.00000
1089 24.0365 0.00000
1090 24.0566 0.00000
1091 24.0706 0.00000
1092 24.0994 0.00000
1093 24.1317 0.00000
1094 24.1647 0.00000
1095 24.1801 0.00000
1096 24.2085 0.00000
1097 24.2488 0.00000
1098 24.2669 0.00000
1099 24.2698 0.00000
1100 24.2806 0.00000
1101 24.3108 0.00000
1102 24.3229 0.00000
1103 24.3583 0.00000
1104 24.3628 0.00000
1105 24.3950 0.00000
1106 24.4236 0.00000
1107 24.4426 0.00000
1108 24.4561 0.00000
1109 24.4864 0.00000
1110 24.4935 0.00000
1111 24.5065 0.00000
1112 24.5372 0.00000
1113 24.5588 0.00000
1114 24.5868 0.00000
1115 24.5967 0.00000
1116 24.6134 0.00000
1117 24.6315 0.00000
1118 24.6600 0.00000
1119 24.7158 0.00000
1120 24.7245 0.00000
1121 24.7617 0.00000
1122 24.7809 0.00000
1123 24.8232 0.00000
1124 24.8567 0.00000
1125 24.8698 0.00000
1126 24.8813 0.00000
1127 24.9085 0.00000
1128 24.9378 0.00000
1129 24.9550 0.00000
1130 24.9926 0.00000
1131 25.0076 0.00000
1132 25.0318 0.00000
1133 25.0425 0.00000
1134 25.0501 0.00000
1135 25.0889 0.00000
1136 25.1167 0.00000
1137 25.1522 0.00000
1138 25.1725 0.00000
1139 25.1922 0.00000
1140 25.2283 0.00000
1141 25.2696 0.00000
1142 25.2943 0.00000
1143 25.3324 0.00000
1144 25.3526 0.00000
1145 25.3783 0.00000
1146 25.4028 0.00000
1147 25.4340 0.00000
1148 25.4508 0.00000
1149 25.5068 0.00000
1150 25.6104 0.00000
1151 25.6682 0.00000
1152 25.7095 0.00000
k-point 5 : -0.3333 0.3333 0.0000
band No. band energies occupation
1 -76.4224 1.00000
2 -76.4222 1.00000
3 -76.4222 1.00000
4 -76.4220 1.00000
5 -76.4214 1.00000
6 -76.4212 1.00000
7 -76.4208 1.00000
8 -76.4206 1.00000
9 -40.7761 1.00000
10 -40.7742 1.00000
11 -40.7741 1.00000
12 -40.7735 1.00000
13 -40.7716 1.00000
14 -40.7687 1.00000
15 -40.7681 1.00000
16 -40.7669 1.00000
17 -40.7556 1.00000
18 -40.7547 1.00000
19 -40.7525 1.00000
20 -40.7493 1.00000
21 -40.7426 1.00000
22 -40.7423 1.00000
23 -40.7418 1.00000
24 -40.7390 1.00000
25 -40.6998 1.00000
26 -40.6993 1.00000
27 -40.6974 1.00000
28 -40.6961 1.00000
29 -40.6905 1.00000
30 -40.6898 1.00000
31 -40.6888 1.00000
32 -40.6878 1.00000
33 -24.0544 1.00000
34 -24.0486 1.00000
35 -24.0444 1.00000
36 -24.0434 1.00000
37 -24.0368 1.00000
38 -24.0351 1.00000
39 -24.0342 1.00000
40 -24.0336 1.00000
41 -24.0026 1.00000
42 -23.9961 1.00000
43 -23.9909 1.00000
44 -23.9898 1.00000
45 -23.9833 1.00000
46 -23.9807 1.00000
47 -23.9806 1.00000
48 -23.9791 1.00000
49 -23.9163 1.00000
50 -23.9157 1.00000
51 -23.8916 1.00000
52 -23.8875 1.00000
53 -23.8565 1.00000
54 -23.8560 1.00000
55 -23.8348 1.00000
56 -23.8304 1.00000
57 -23.8294 1.00000
58 -23.8281 1.00000
59 -23.8272 1.00000
60 -23.8268 1.00000
61 -23.8236 1.00000
62 -23.8228 1.00000
63 -23.8206 1.00000
64 -23.8184 1.00000
65 -23.7924 1.00000
66 -23.7918 1.00000
67 -23.7814 1.00000
68 -23.7804 1.00000
69 -23.7757 1.00000
70 -23.7737 1.00000
71 -23.7708 1.00000
72 -23.7700 1.00000
73 -23.7651 1.00000
74 -23.7649 1.00000
75 -23.7646 1.00000
76 -23.7636 1.00000
77 -23.7593 1.00000
78 -23.7583 1.00000
79 -23.7581 1.00000
80 -23.7578 1.00000
81 -23.7483 1.00000
82 -23.7482 1.00000
83 -23.7295 1.00000
84 -23.7266 1.00000
85 -23.7263 1.00000
86 -23.7245 1.00000
87 -23.7242 1.00000
88 -23.7213 1.00000
89 -23.7138 1.00000
90 -23.7132 1.00000
91 -23.7102 1.00000
92 -23.7093 1.00000
93 -23.7090 1.00000
94 -23.7073 1.00000
95 -23.6894 1.00000
96 -23.6837 1.00000
97 -23.6708 1.00000
98 -23.6650 1.00000
99 -23.6612 1.00000
100 -23.6571 1.00000
101 -23.6350 1.00000
102 -23.6334 1.00000
103 -23.6316 1.00000
104 -23.6264 1.00000
105 -23.6260 1.00000
106 -23.6217 1.00000
107 -23.6185 1.00000
108 -23.6168 1.00000
109 -23.5909 1.00000
110 -23.5867 1.00000
111 -23.5808 1.00000
112 -23.5716 1.00000
113 -20.2105 1.00000
114 -20.0636 1.00000
115 -20.0252 1.00000
116 -19.9091 1.00000
117 -19.6164 1.00000
118 -19.5824 1.00000
119 -19.5333 1.00000
120 -19.5077 1.00000
121 -19.3849 1.00000
122 -19.3295 1.00000
123 -19.3025 1.00000
124 -19.2882 1.00000
125 -19.2841 1.00000
126 -19.2768 1.00000
127 -19.2047 1.00000
128 -19.2042 1.00000
129 -18.9332 1.00000
130 -18.9011 1.00000
131 -18.8983 1.00000
132 -18.8688 1.00000
133 -18.8482 1.00000
134 -18.8348 1.00000
135 -18.8006 1.00000
136 -18.7616 1.00000
137 -18.6538 1.00000
138 -18.6295 1.00000
139 -18.5800 1.00000
140 -18.5771 1.00000
141 -18.5333 1.00000
142 -18.5231 1.00000
143 -18.4985 1.00000
144 -18.4822 1.00000
145 -18.3452 1.00000
146 -18.3405 1.00000
147 -18.3392 1.00000
148 -18.3208 1.00000
149 -18.3026 1.00000
150 -18.2893 1.00000
151 -18.2738 1.00000
152 -18.2728 1.00000
153 -17.9008 1.00000
154 -17.8975 1.00000
155 -17.8813 1.00000
156 -17.8738 1.00000
157 -17.6539 1.00000
158 -17.6443 1.00000
159 -17.6417 1.00000
160 -17.6383 1.00000
161 -11.6653 1.00000
162 -11.5927 1.00000
163 -11.5381 1.00000
164 -11.4999 1.00000
165 -11.3693 1.00000
166 -11.3360 1.00000
167 -11.2632 1.00000
168 -11.2412 1.00000
169 -10.5592 1.00000
170 -10.5267 1.00000
171 -10.4820 1.00000
172 -10.4546 1.00000
173 -10.2412 1.00000
174 -10.2309 1.00000
175 -10.1317 1.00000
176 -10.1015 1.00000
177 -7.4467 1.00000
178 -7.3781 1.00000
179 -7.3748 1.00000
180 -7.3147 1.00000
181 -7.2061 1.00000
182 -7.1421 1.00000
183 -7.1046 1.00000
184 -7.0898 1.00000
185 -7.0380 1.00000
186 -7.0368 1.00000
187 -6.9617 1.00000
188 -6.9573 1.00000
189 -6.9462 1.00000
190 -6.9014 1.00000
191 -6.8203 1.00000
192 -6.7340 1.00000
193 -6.6478 1.00000
194 -6.6436 1.00000
195 -6.6182 1.00000
196 -6.5169 1.00000
197 -6.4802 1.00000
198 -6.4261 1.00000
199 -6.4232 1.00000
200 -6.2608 1.00000
201 -6.2395 1.00000
202 -6.2316 1.00000
203 -6.1823 1.00000
204 -6.1505 1.00000
205 -6.1473 1.00000
206 -6.1270 1.00000
207 -6.1199 1.00000
208 -6.0528 1.00000
209 -5.9612 1.00000
210 -5.9579 1.00000
211 -5.9288 1.00000
212 -5.9118 1.00000
213 -5.8415 1.00000
214 -5.8401 1.00000
215 -5.8062 1.00000
216 -5.7689 1.00000
217 -5.7506 1.00000
218 -5.6752 1.00000
219 -5.6114 1.00000
220 -5.5707 1.00000
221 -5.5072 1.00000
222 -5.4817 1.00000
223 -5.4440 1.00000
224 -5.4108 1.00000
225 -5.2633 1.00000
226 -5.2522 1.00000
227 -5.1483 1.00000
228 -5.1148 1.00000
229 -4.9711 1.00000
230 -4.9559 1.00000
231 -4.9233 1.00000
232 -4.9022 1.00000
233 -4.8669 1.00000
234 -4.8492 1.00000
235 -4.7398 1.00000
236 -4.7187 1.00000
237 -4.7010 1.00000
238 -4.6418 1.00000
239 -4.5668 1.00000
240 -4.5604 1.00000
241 -4.5494 1.00000
242 -4.5157 1.00000
243 -4.3988 1.00000
244 -4.3753 1.00000
245 -4.3199 1.00000
246 -4.3032 1.00000
247 -4.3007 1.00000
248 -4.2049 1.00000
249 -4.1673 1.00000
250 -4.1671 1.00000
251 -4.1136 1.00000
252 -4.0861 1.00000
253 -4.0301 1.00000
254 -4.0072 1.00000
255 -3.9925 1.00000
256 -3.8871 1.00000
257 -3.8808 1.00000
258 -3.8315 1.00000
259 -3.8253 1.00000
260 -3.7235 1.00000
261 -3.7181 1.00000
262 -3.6289 1.00000
263 -3.6192 1.00000
264 -3.6128 1.00000
265 -3.5948 1.00000
266 -3.5513 1.00000
267 -3.5371 1.00000
268 -3.5153 1.00000
269 -3.4565 1.00000
270 -3.4420 1.00000
271 -3.4406 1.00000
272 -3.3819 1.00000
273 -3.3510 1.00000
274 -3.3421 1.00000
275 -3.3229 1.00000
276 -3.2509 1.00000
277 -3.2425 1.00000
278 -3.2221 1.00000
279 -3.2167 1.00000
280 -3.1465 1.00000
281 -3.1362 1.00000
282 -3.1259 1.00000
283 -3.1102 1.00000
284 -3.0666 1.00000
285 -3.0312 1.00000
286 -3.0270 1.00000
287 -3.0070 1.00000
288 -2.9425 1.00000
289 -2.9137 1.00000
290 -2.9120 1.00000
291 -2.9038 1.00000
292 -2.8285 1.00000
293 -2.8253 1.00000
294 -2.8233 1.00000
295 -2.8075 1.00000
296 -2.7766 1.00000
297 -2.7350 1.00000
298 -2.7051 1.00000
299 -2.7026 1.00000
300 -2.7011 1.00000
301 -2.6714 1.00000
302 -2.6577 1.00000
303 -2.6329 1.00000
304 -2.5736 1.00000
305 -2.5268 1.00000
306 -2.5264 1.00000
307 -2.4885 1.00000
308 -2.4869 1.00000
309 -2.4219 1.00000
310 -2.3918 1.00000
311 -2.3483 1.00000
312 -2.3167 1.00000
313 -2.3052 1.00000
314 -2.2987 1.00000
315 -2.2689 1.00000
316 -2.1975 1.00000
317 -2.1915 1.00000
318 -2.1344 1.00000
319 -2.1201 1.00000
320 -2.0390 1.00000
321 0.7963 0.00000
322 0.8885 0.00000
323 0.9148 0.00000
324 0.9869 0.00000
325 1.0358 0.00000
326 1.0979 0.00000
327 1.1142 0.00000
328 1.1147 0.00000
329 1.1884 0.00000
330 1.2512 0.00000
331 1.2969 0.00000
332 1.3049 0.00000
333 1.3999 0.00000
334 1.4446 0.00000
335 1.5257 0.00000
336 1.5472 0.00000
337 1.6223 0.00000
338 1.6382 0.00000
339 1.6405 0.00000
340 1.7293 0.00000
341 1.7471 0.00000
342 1.7587 0.00000
343 1.8618 0.00000
344 1.9829 0.00000
345 1.9966 0.00000
346 2.0527 0.00000
347 2.0695 0.00000
348 2.1158 0.00000
349 2.1219 0.00000
350 2.1634 0.00000
351 2.1662 0.00000
352 2.2881 0.00000
353 2.4258 0.00000
354 2.5926 0.00000
355 2.6172 0.00000
356 2.6533 0.00000
357 2.7171 0.00000
358 2.7530 0.00000
359 2.8019 0.00000
360 2.8225 0.00000
361 2.9373 0.00000
362 3.0768 0.00000
363 3.0973 0.00000
364 3.1842 0.00000
365 3.2179 0.00000
366 3.2602 0.00000
367 3.3936 0.00000
368 3.4335 0.00000
369 3.5062 0.00000
370 3.5881 0.00000
371 3.6116 0.00000
372 3.6252 0.00000
373 3.6904 0.00000
374 3.7314 0.00000
375 3.8267 0.00000
376 3.8504 0.00000
377 3.8711 0.00000
378 3.9341 0.00000
379 4.0090 0.00000
380 4.0141 0.00000
381 4.0401 0.00000
382 4.1315 0.00000
383 4.1863 0.00000
384 4.1982 0.00000
385 4.3311 0.00000
386 4.3361 0.00000
387 4.3436 0.00000
388 4.4238 0.00000
389 4.4261 0.00000
390 4.4680 0.00000
391 4.4807 0.00000
392 4.5919 0.00000
393 4.6169 0.00000
394 4.6456 0.00000
395 4.6682 0.00000
396 4.7153 0.00000
397 4.7829 0.00000
398 4.7885 0.00000
399 4.8224 0.00000
400 4.8348 0.00000
401 4.8799 0.00000
402 4.9218 0.00000
403 4.9347 0.00000
404 5.0284 0.00000
405 5.0544 0.00000
406 5.0545 0.00000
407 5.2137 0.00000
408 5.2247 0.00000
409 5.2435 0.00000
410 5.2475 0.00000
411 5.3366 0.00000
412 5.4386 0.00000
413 5.4394 0.00000
414 5.4774 0.00000
415 5.5069 0.00000
416 5.6997 0.00000
417 5.7175 0.00000
418 5.7539 0.00000
419 5.8091 0.00000
420 5.8478 0.00000
421 5.9962 0.00000
422 6.0245 0.00000
423 6.0345 0.00000
424 6.1053 0.00000
425 6.1113 0.00000
426 6.1372 0.00000
427 6.1380 0.00000
428 6.2372 0.00000
429 6.2976 0.00000
430 6.3085 0.00000
431 6.4594 0.00000
432 6.4983 0.00000
433 6.5855 0.00000
434 6.6821 0.00000
435 6.6878 0.00000
436 6.7487 0.00000
437 6.8226 0.00000
438 6.8436 0.00000
439 6.9117 0.00000
440 6.9687 0.00000
441 7.0476 0.00000
442 7.1575 0.00000
443 7.2075 0.00000
444 7.2337 0.00000
445 7.2343 0.00000
446 7.2472 0.00000
447 7.3210 0.00000
448 7.3433 0.00000
449 7.3613 0.00000
450 7.4837 0.00000
451 7.5033 0.00000
452 7.5125 0.00000
453 7.6845 0.00000
454 7.6897 0.00000
455 7.6967 0.00000
456 7.7049 0.00000
457 7.8230 0.00000
458 7.8830 0.00000
459 8.0247 0.00000
460 8.0644 0.00000
461 8.0751 0.00000
462 8.1134 0.00000
463 8.1256 0.00000
464 8.1852 0.00000
465 8.2259 0.00000
466 8.2572 0.00000
467 8.2731 0.00000
468 8.4515 0.00000
469 8.5072 0.00000
470 8.5741 0.00000
471 8.6090 0.00000
472 8.6096 0.00000
473 8.6277 0.00000
474 8.6555 0.00000
475 8.6894 0.00000
476 8.7230 0.00000
477 8.7416 0.00000
478 8.7761 0.00000
479 8.7830 0.00000
480 8.7839 0.00000
481 8.8314 0.00000
482 8.8318 0.00000
483 8.9197 0.00000
484 8.9534 0.00000
485 9.0403 0.00000
486 9.0933 0.00000
487 9.1802 0.00000
488 9.1918 0.00000
489 9.2124 0.00000
490 9.2526 0.00000
491 9.2559 0.00000
492 9.2790 0.00000
493 9.3330 0.00000
494 9.3688 0.00000
495 9.4045 0.00000
496 9.4347 0.00000
497 9.5540 0.00000
498 9.5602 0.00000
499 9.5668 0.00000
500 9.6164 0.00000
501 9.6542 0.00000
502 9.6697 0.00000
503 9.6925 0.00000
504 9.7386 0.00000
505 9.7395 0.00000
506 9.8341 0.00000
507 9.8429 0.00000
508 9.8503 0.00000
509 9.9045 0.00000
510 9.9184 0.00000
511 10.0368 0.00000
512 10.0541 0.00000
513 10.1047 0.00000
514 10.1047 0.00000
515 10.1616 0.00000
516 10.2019 0.00000
517 10.2211 0.00000
518 10.2630 0.00000
519 10.2667 0.00000
520 10.2925 0.00000
521 10.3114 0.00000
522 10.3959 0.00000
523 10.4028 0.00000
524 10.4597 0.00000
525 10.5196 0.00000
526 10.5320 0.00000
527 10.5330 0.00000
528 10.5699 0.00000
529 10.5888 0.00000
530 10.6831 0.00000
531 10.6980 0.00000
532 10.7165 0.00000
533 10.7679 0.00000
534 10.7862 0.00000
535 10.8294 0.00000
536 10.8462 0.00000
537 10.8888 0.00000
538 10.9683 0.00000
539 10.9719 0.00000
540 10.9839 0.00000
541 10.9853 0.00000
542 11.0133 0.00000
543 11.0308 0.00000
544 11.0490 0.00000
545 11.0559 0.00000
546 11.0933 0.00000
547 11.0961 0.00000
548 11.1277 0.00000
549 11.2093 0.00000
550 11.2200 0.00000
551 11.2282 0.00000
552 11.2328 0.00000
553 11.2385 0.00000
554 11.2829 0.00000
555 11.3534 0.00000
556 11.3586 0.00000
557 11.3702 0.00000
558 11.4358 0.00000
559 11.4643 0.00000
560 11.4765 0.00000
561 11.5250 0.00000
562 11.5815 0.00000
563 11.5932 0.00000
564 11.6313 0.00000
565 11.7143 0.00000
566 11.7287 0.00000
567 11.7714 0.00000
568 11.7995 0.00000
569 11.8304 0.00000
570 11.8328 0.00000
571 11.8660 0.00000
572 11.8900 0.00000
573 11.9331 0.00000
574 11.9524 0.00000
575 11.9577 0.00000
576 11.9912 0.00000
577 11.9949 0.00000
578 12.0439 0.00000
579 12.1111 0.00000
580 12.1305 0.00000
581 12.1456 0.00000
582 12.1881 0.00000
583 12.2330 0.00000
584 12.2424 0.00000
585 12.2721 0.00000
586 12.2962 0.00000
587 12.3280 0.00000
588 12.3924 0.00000
589 12.3965 0.00000
590 12.4213 0.00000
591 12.4686 0.00000
592 12.4757 0.00000
593 12.4838 0.00000
594 12.4933 0.00000
595 12.4936 0.00000
596 12.5182 0.00000
597 12.5990 0.00000
598 12.6392 0.00000
599 12.6667 0.00000
600 12.7173 0.00000
601 12.7356 0.00000
602 12.7384 0.00000
603 12.7651 0.00000
604 12.8070 0.00000
605 12.8655 0.00000
606 12.8793 0.00000
607 12.9505 0.00000
608 12.9543 0.00000
609 12.9812 0.00000
610 13.0409 0.00000
611 13.0549 0.00000
612 13.0816 0.00000
613 13.1020 0.00000
614 13.1108 0.00000
615 13.1516 0.00000
616 13.1543 0.00000
617 13.1824 0.00000
618 13.2304 0.00000
619 13.2327 0.00000
620 13.2956 0.00000
621 13.3018 0.00000
622 13.3308 0.00000
623 13.3341 0.00000
624 13.3503 0.00000
625 13.3534 0.00000
626 13.3937 0.00000
627 13.4396 0.00000
628 13.4472 0.00000
629 13.4752 0.00000
630 13.5286 0.00000
631 13.5317 0.00000
632 13.5359 0.00000
633 13.5753 0.00000
634 13.5915 0.00000
635 13.6259 0.00000
636 13.6632 0.00000
637 13.6802 0.00000
638 13.7295 0.00000
639 13.7402 0.00000
640 13.7479 0.00000
641 13.7930 0.00000
642 13.8454 0.00000
643 13.9011 0.00000
644 13.9309 0.00000
645 13.9565 0.00000
646 13.9951 0.00000
647 13.9955 0.00000
648 14.0006 0.00000
649 14.0182 0.00000
650 14.0353 0.00000
651 14.0744 0.00000
652 14.0799 0.00000
653 14.1355 0.00000
654 14.1374 0.00000
655 14.1726 0.00000
656 14.2514 0.00000
657 14.2575 0.00000
658 14.2588 0.00000
659 14.3358 0.00000
660 14.3524 0.00000
661 14.3667 0.00000
662 14.3962 0.00000
663 14.4383 0.00000
664 14.4604 0.00000
665 14.4617 0.00000
666 14.4954 0.00000
667 14.5440 0.00000
668 14.5527 0.00000
669 14.5544 0.00000
670 14.6056 0.00000
671 14.6185 0.00000
672 14.6205 0.00000
673 14.6666 0.00000
674 14.7259 0.00000
675 14.7320 0.00000
676 14.7483 0.00000
677 14.7756 0.00000
678 14.8236 0.00000
679 14.8284 0.00000
680 14.8361 0.00000
681 14.8535 0.00000
682 14.9086 0.00000
683 14.9108 0.00000
684 14.9838 0.00000
685 15.0174 0.00000
686 15.0207 0.00000
687 15.0357 0.00000
688 15.0903 0.00000
689 15.1147 0.00000
690 15.1626 0.00000
691 15.1867 0.00000
692 15.1889 0.00000
693 15.1960 0.00000
694 15.2091 0.00000
695 15.2672 0.00000
696 15.2919 0.00000
697 15.3107 0.00000
698 15.3365 0.00000
699 15.3757 0.00000
700 15.3906 0.00000
701 15.4202 0.00000
702 15.4375 0.00000
703 15.4697 0.00000
704 15.4823 0.00000
705 15.5201 0.00000
706 15.5463 0.00000
707 15.5699 0.00000
708 15.5983 0.00000
709 15.6122 0.00000
710 15.6331 0.00000
711 15.6475 0.00000
712 15.6635 0.00000
713 15.7264 0.00000
714 15.7417 0.00000
715 15.7462 0.00000
716 15.7860 0.00000
717 15.7942 0.00000
718 15.8598 0.00000
719 15.8661 0.00000
720 15.8904 0.00000
721 15.9238 0.00000
722 15.9406 0.00000
723 15.9682 0.00000
724 16.0135 0.00000
725 16.0236 0.00000
726 16.0475 0.00000
727 16.0754 0.00000
728 16.0917 0.00000
729 16.1144 0.00000
730 16.1308 0.00000
731 16.1768 0.00000
732 16.1943 0.00000
733 16.2662 0.00000
734 16.2906 0.00000
735 16.2964 0.00000
736 16.3195 0.00000
737 16.3533 0.00000
738 16.3839 0.00000
739 16.3941 0.00000
740 16.4115 0.00000
741 16.4269 0.00000
742 16.4970 0.00000
743 16.5152 0.00000
744 16.5796 0.00000
745 16.5868 0.00000
746 16.6466 0.00000
747 16.6829 0.00000
748 16.6969 0.00000
749 16.7163 0.00000
750 16.7316 0.00000
751 16.7516 0.00000
752 16.7527 0.00000
753 16.7830 0.00000
754 16.8032 0.00000
755 16.8071 0.00000
756 16.8461 0.00000
757 16.8583 0.00000
758 16.8821 0.00000
759 16.9106 0.00000
760 16.9178 0.00000
761 16.9475 0.00000
762 16.9837 0.00000
763 16.9869 0.00000
764 17.0142 0.00000
765 17.0149 0.00000
766 17.0432 0.00000
767 17.0506 0.00000
768 17.0727 0.00000
769 17.1247 0.00000
770 17.1460 0.00000
771 17.1895 0.00000
772 17.1962 0.00000
773 17.2068 0.00000
774 17.2261 0.00000
775 17.2363 0.00000
776 17.2650 0.00000
777 17.2903 0.00000
778 17.2958 0.00000
779 17.3358 0.00000
780 17.3876 0.00000
781 17.4093 0.00000
782 17.4189 0.00000
783 17.4485 0.00000
784 17.4507 0.00000
785 17.5408 0.00000
786 17.5504 0.00000
787 17.5624 0.00000
788 17.5836 0.00000
789 17.6145 0.00000
790 17.6340 0.00000
791 17.6978 0.00000
792 17.7048 0.00000
793 17.7250 0.00000
794 17.7344 0.00000
795 17.7500 0.00000
796 17.7725 0.00000
797 17.8141 0.00000
798 17.8371 0.00000
799 17.8585 0.00000
800 17.8782 0.00000
801 17.8853 0.00000
802 17.8956 0.00000
803 17.9031 0.00000
804 17.9152 0.00000
805 17.9976 0.00000
806 18.0398 0.00000
807 18.0401 0.00000
808 18.0557 0.00000
809 18.1095 0.00000
810 18.1106 0.00000
811 18.1116 0.00000
812 18.1190 0.00000
813 18.1714 0.00000
814 18.1722 0.00000
815 18.2210 0.00000
816 18.2399 0.00000
817 18.2593 0.00000
818 18.3036 0.00000
819 18.3230 0.00000
820 18.3660 0.00000
821 18.4012 0.00000
822 18.4393 0.00000
823 18.4450 0.00000
824 18.4690 0.00000
825 18.4737 0.00000
826 18.4960 0.00000
827 18.5368 0.00000
828 18.6013 0.00000
829 18.6097 0.00000
830 18.6100 0.00000
831 18.6453 0.00000
832 18.6540 0.00000
833 18.6663 0.00000
834 18.7045 0.00000
835 18.7377 0.00000
836 18.7735 0.00000
837 18.7920 0.00000
838 18.8123 0.00000
839 18.8323 0.00000
840 18.8697 0.00000
841 18.8793 0.00000
842 18.8876 0.00000
843 18.9021 0.00000
844 18.9236 0.00000
845 18.9346 0.00000
846 18.9758 0.00000
847 18.9851 0.00000
848 19.0179 0.00000
849 19.0666 0.00000
850 19.0833 0.00000
851 19.1155 0.00000
852 19.1430 0.00000
853 19.1519 0.00000
854 19.1741 0.00000
855 19.1891 0.00000
856 19.2020 0.00000
857 19.2155 0.00000
858 19.2514 0.00000
859 19.3023 0.00000
860 19.3272 0.00000
861 19.3814 0.00000
862 19.3848 0.00000
863 19.4038 0.00000
864 19.4188 0.00000
865 19.4240 0.00000
866 19.4532 0.00000
867 19.4556 0.00000
868 19.4891 0.00000
869 19.5004 0.00000
870 19.5429 0.00000
871 19.5618 0.00000
872 19.5783 0.00000
873 19.5812 0.00000
874 19.5885 0.00000
875 19.6434 0.00000
876 19.6903 0.00000
877 19.6982 0.00000
878 19.7201 0.00000
879 19.7279 0.00000
880 19.7625 0.00000
881 19.8043 0.00000
882 19.8055 0.00000
883 19.8150 0.00000
884 19.8208 0.00000
885 19.8716 0.00000
886 19.9100 0.00000
887 19.9529 0.00000
888 19.9533 0.00000
889 19.9700 0.00000
890 20.0044 0.00000
891 20.0132 0.00000
892 20.0170 0.00000
893 20.0501 0.00000
894 20.0558 0.00000
895 20.0765 0.00000
896 20.1250 0.00000
897 20.1268 0.00000
898 20.1327 0.00000
899 20.1762 0.00000
900 20.2109 0.00000
901 20.2278 0.00000
902 20.2283 0.00000
903 20.2653 0.00000
904 20.2977 0.00000
905 20.2993 0.00000
906 20.3316 0.00000
907 20.3654 0.00000
908 20.3785 0.00000
909 20.4107 0.00000
910 20.4272 0.00000
911 20.4569 0.00000
912 20.4577 0.00000
913 20.4789 0.00000
914 20.5042 0.00000
915 20.5103 0.00000
916 20.5369 0.00000
917 20.5384 0.00000
918 20.5696 0.00000
919 20.6088 0.00000
920 20.6136 0.00000
921 20.6434 0.00000
922 20.6645 0.00000
923 20.6682 0.00000
924 20.6819 0.00000
925 20.7295 0.00000
926 20.7449 0.00000
927 20.7837 0.00000
928 20.7840 0.00000
929 20.7874 0.00000
930 20.8373 0.00000
931 20.8405 0.00000
932 20.8415 0.00000
933 20.8854 0.00000
934 20.9178 0.00000
935 20.9451 0.00000
936 20.9531 0.00000
937 20.9896 0.00000
938 20.9930 0.00000
939 21.0204 0.00000
940 21.0329 0.00000
941 21.0655 0.00000
942 21.0663 0.00000
943 21.0772 0.00000
944 21.0969 0.00000
945 21.1281 0.00000
946 21.1592 0.00000
947 21.1664 0.00000
948 21.2129 0.00000
949 21.2230 0.00000
950 21.2264 0.00000
951 21.2451 0.00000
952 21.2599 0.00000
953 21.2943 0.00000
954 21.3116 0.00000
955 21.3290 0.00000
956 21.3438 0.00000
957 21.3718 0.00000
958 21.3745 0.00000
959 21.3748 0.00000
960 21.4195 0.00000
961 21.4427 0.00000
962 21.4492 0.00000
963 21.4799 0.00000
964 21.5079 0.00000
965 21.5089 0.00000
966 21.5326 0.00000
967 21.5394 0.00000
968 21.5640 0.00000
969 21.5749 0.00000
970 21.6203 0.00000
971 21.6234 0.00000
972 21.6534 0.00000
973 21.6870 0.00000
974 21.7004 0.00000
975 21.7109 0.00000
976 21.7403 0.00000
977 21.7491 0.00000
978 21.7941 0.00000
979 21.8089 0.00000
980 21.8094 0.00000
981 21.8181 0.00000
982 21.8672 0.00000
983 21.8858 0.00000
984 21.8979 0.00000
985 21.9025 0.00000
986 21.9254 0.00000
987 21.9438 0.00000
988 21.9646 0.00000
989 21.9733 0.00000
990 21.9951 0.00000
991 22.0331 0.00000
992 22.0339 0.00000
993 22.0852 0.00000
994 22.0965 0.00000
995 22.1001 0.00000
996 22.1166 0.00000
997 22.1582 0.00000
998 22.1747 0.00000
999 22.1759 0.00000
1000 22.2419 0.00000
1001 22.2459 0.00000
1002 22.2480 0.00000
1003 22.2786 0.00000
1004 22.2911 0.00000
1005 22.2952 0.00000
1006 22.3192 0.00000
1007 22.3612 0.00000
1008 22.3622 0.00000
1009 22.3724 0.00000
1010 22.3758 0.00000
1011 22.3859 0.00000
1012 22.4464 0.00000
1013 22.4600 0.00000
1014 22.5072 0.00000
1015 22.5182 0.00000
1016 22.5202 0.00000
1017 22.5259 0.00000
1018 22.5721 0.00000
1019 22.6039 0.00000
1020 22.6395 0.00000
1021 22.6456 0.00000
1022 22.6487 0.00000
1023 22.6493 0.00000
1024 22.6806 0.00000
1025 22.7056 0.00000
1026 22.7358 0.00000
1027 22.7661 0.00000
1028 22.7716 0.00000
1029 22.7845 0.00000
1030 22.7990 0.00000
1031 22.8454 0.00000
1032 22.8456 0.00000
1033 22.8535 0.00000
1034 22.8583 0.00000
1035 22.8797 0.00000
1036 22.9676 0.00000
1037 22.9955 0.00000
1038 23.0021 0.00000
1039 23.0229 0.00000
1040 23.0337 0.00000
1041 23.0716 0.00000
1042 23.0840 0.00000
1043 23.0926 0.00000
1044 23.1218 0.00000
1045 23.1561 0.00000
1046 23.1658 0.00000
1047 23.1955 0.00000
1048 23.2151 0.00000
1049 23.2274 0.00000
1050 23.2349 0.00000
1051 23.2669 0.00000
1052 23.2975 0.00000
1053 23.3005 0.00000
1054 23.3111 0.00000
1055 23.3476 0.00000
1056 23.3728 0.00000
1057 23.3753 0.00000
1058 23.3817 0.00000
1059 23.3904 0.00000
1060 23.4382 0.00000
1061 23.4415 0.00000
1062 23.4524 0.00000
1063 23.4936 0.00000
1064 23.5032 0.00000
1065 23.5160 0.00000
1066 23.5388 0.00000
1067 23.5457 0.00000
1068 23.5798 0.00000
1069 23.6292 0.00000
1070 23.6680 0.00000
1071 23.7077 0.00000
1072 23.7201 0.00000
1073 23.7214 0.00000
1074 23.7329 0.00000
1075 23.7787 0.00000
1076 23.7837 0.00000
1077 23.8150 0.00000
1078 23.8169 0.00000
1079 23.8387 0.00000
1080 23.8620 0.00000
1081 23.8819 0.00000
1082 23.8962 0.00000
1083 23.9225 0.00000
1084 23.9352 0.00000
1085 23.9404 0.00000
1086 23.9429 0.00000
1087 24.0017 0.00000
1088 24.0227 0.00000
1089 24.0386 0.00000
1090 24.0542 0.00000
1091 24.0687 0.00000
1092 24.0921 0.00000
1093 24.1349 0.00000
1094 24.1625 0.00000
1095 24.1906 0.00000
1096 24.2094 0.00000
1097 24.2456 0.00000
1098 24.2679 0.00000
1099 24.2736 0.00000
1100 24.2867 0.00000
1101 24.3076 0.00000
1102 24.3236 0.00000
1103 24.3555 0.00000
1104 24.3596 0.00000
1105 24.3949 0.00000
1106 24.4167 0.00000
1107 24.4410 0.00000
1108 24.4644 0.00000
1109 24.4884 0.00000
1110 24.5021 0.00000
1111 24.5119 0.00000
1112 24.5336 0.00000
1113 24.5474 0.00000
1114 24.5850 0.00000
1115 24.5977 0.00000
1116 24.6217 0.00000
1117 24.6544 0.00000
1118 24.6838 0.00000
1119 24.7204 0.00000
1120 24.7480 0.00000
1121 24.7643 0.00000
1122 24.7810 0.00000
1123 24.8261 0.00000
1124 24.8459 0.00000
1125 24.8677 0.00000
1126 24.8802 0.00000
1127 24.8990 0.00000
1128 24.9518 0.00000
1129 24.9701 0.00000
1130 24.9821 0.00000
1131 25.0116 0.00000
1132 25.0256 0.00000
1133 25.0606 0.00000
1134 25.0790 0.00000
1135 25.1095 0.00000
1136 25.1319 0.00000
1137 25.1482 0.00000
1138 25.1889 0.00000
1139 25.2109 0.00000
1140 25.2245 0.00000
1141 25.2683 0.00000
1142 25.2882 0.00000
1143 25.3034 0.00000
1144 25.3308 0.00000
1145 25.3690 0.00000
1146 25.4029 0.00000
1147 25.4185 0.00000
1148 25.4730 0.00000
1149 25.5087 0.00000
1150 25.5606 0.00000
1151 25.6515 0.00000
1152 25.6870 0.00000
Fermi energy: -1.6954181919
spin component 2
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 -76.4225 1.00000
2 -76.4223 1.00000
3 -76.4221 1.00000
4 -76.4218 1.00000
5 -76.4216 1.00000
6 -76.4211 1.00000
7 -76.4208 1.00000
8 -76.4206 1.00000
9 -40.7774 1.00000
10 -40.7770 1.00000
11 -40.7736 1.00000
12 -40.7731 1.00000
13 -40.7690 1.00000
14 -40.7685 1.00000
15 -40.7678 1.00000
16 -40.7643 1.00000
17 -40.7580 1.00000
18 -40.7557 1.00000
19 -40.7493 1.00000
20 -40.7492 1.00000
21 -40.7450 1.00000
22 -40.7438 1.00000
23 -40.7436 1.00000
24 -40.7357 1.00000
25 -40.7008 1.00000
26 -40.7004 1.00000
27 -40.6948 1.00000
28 -40.6945 1.00000
29 -40.6920 1.00000
30 -40.6916 1.00000
31 -40.6895 1.00000
32 -40.6861 1.00000
33 -24.0648 1.00000
34 -24.0449 1.00000
35 -24.0410 1.00000
36 -24.0406 1.00000
37 -24.0405 1.00000
38 -24.0336 1.00000
39 -24.0332 1.00000
40 -24.0329 1.00000
41 -24.0142 1.00000
42 -23.9924 1.00000
43 -23.9878 1.00000
44 -23.9868 1.00000
45 -23.9864 1.00000
46 -23.9796 1.00000
47 -23.9785 1.00000
48 -23.9781 1.00000
49 -23.9265 1.00000
50 -23.9225 1.00000
51 -23.8669 1.00000
52 -23.8602 1.00000
53 -23.8536 1.00000
54 -23.8532 1.00000
55 -23.8498 1.00000
56 -23.8495 1.00000
57 -23.8297 1.00000
58 -23.8262 1.00000
59 -23.8194 1.00000
60 -23.8155 1.00000
61 -23.8154 1.00000
62 -23.8146 1.00000
63 -23.8136 1.00000
64 -23.8130 1.00000
65 -23.8007 1.00000
66 -23.8003 1.00000
67 -23.7944 1.00000
68 -23.7941 1.00000
69 -23.7805 1.00000
70 -23.7782 1.00000
71 -23.7733 1.00000
72 -23.7672 1.00000
73 -23.7660 1.00000
74 -23.7609 1.00000
75 -23.7602 1.00000
76 -23.7583 1.00000
77 -23.7573 1.00000
78 -23.7572 1.00000
79 -23.7560 1.00000
80 -23.7551 1.00000
81 -23.7545 1.00000
82 -23.7539 1.00000
83 -23.7530 1.00000
84 -23.7521 1.00000
85 -23.7265 1.00000
86 -23.7233 1.00000
87 -23.7191 1.00000
88 -23.7151 1.00000
89 -23.7139 1.00000
90 -23.7138 1.00000
91 -23.7114 1.00000
92 -23.7104 1.00000
93 -23.7089 1.00000
94 -23.7052 1.00000
95 -23.6818 1.00000
96 -23.6765 1.00000
97 -23.6668 1.00000
98 -23.6637 1.00000
99 -23.6481 1.00000
100 -23.6473 1.00000
101 -23.6460 1.00000
102 -23.6454 1.00000
103 -23.6405 1.00000
104 -23.6282 1.00000
105 -23.6248 1.00000
106 -23.6088 1.00000
107 -23.6062 1.00000
108 -23.6045 1.00000
109 -23.6043 1.00000
110 -23.6027 1.00000
111 -23.5838 1.00000
112 -23.5604 1.00000
113 -20.3347 1.00000
114 -19.9766 1.00000
115 -19.7851 1.00000
116 -19.7844 1.00000
117 -19.7637 1.00000
118 -19.6788 1.00000
119 -19.6785 1.00000
120 -19.5565 1.00000
121 -19.3504 1.00000
122 -19.3501 1.00000
123 -19.3134 1.00000
124 -19.3123 1.00000
125 -19.2866 1.00000
126 -19.2596 1.00000
127 -19.2109 1.00000
128 -19.0787 1.00000
129 -18.9349 1.00000
130 -18.9227 1.00000
131 -18.9119 1.00000
132 -18.9117 1.00000
133 -18.9012 1.00000
134 -18.7558 1.00000
135 -18.7513 1.00000
136 -18.7400 1.00000
137 -18.7391 1.00000
138 -18.6568 1.00000
139 -18.6008 1.00000
140 -18.5914 1.00000
141 -18.4323 1.00000
142 -18.4314 1.00000
143 -18.4291 1.00000
144 -18.4278 1.00000
145 -18.3688 1.00000
146 -18.3570 1.00000
147 -18.2885 1.00000
148 -18.2741 1.00000
149 -18.2232 1.00000
150 -18.2225 1.00000
151 -18.2077 1.00000
152 -18.2062 1.00000
153 -18.1203 1.00000
154 -18.1195 1.00000
155 -18.1117 1.00000
156 -18.1111 1.00000
157 -17.5661 1.00000
158 -17.5435 1.00000
159 -17.5421 1.00000
160 -17.5362 1.00000
161 -11.8332 1.00000
162 -11.7277 1.00000
163 -11.5693 1.00000
164 -11.5413 1.00000
165 -11.0175 1.00000
166 -11.0166 1.00000
167 -10.9666 1.00000
168 -10.9662 1.00000
169 -10.8669 1.00000
170 -10.8652 1.00000
171 -10.8198 1.00000
172 -10.8193 1.00000
173 -10.1684 1.00000
174 -10.0972 1.00000
175 -10.0301 1.00000
176 -9.9188 1.00000
177 -7.5486 1.00000
178 -7.3591 1.00000
179 -7.3585 1.00000
180 -7.3552 1.00000
181 -7.3023 1.00000
182 -7.2783 1.00000
183 -7.1463 1.00000
184 -7.1458 1.00000
185 -6.9647 1.00000
186 -6.9518 1.00000
187 -6.9504 1.00000
188 -6.9485 1.00000
189 -6.8177 1.00000
190 -6.8055 1.00000
191 -6.8047 1.00000
192 -6.6789 1.00000
193 -6.5831 1.00000
194 -6.5830 1.00000
195 -6.5828 1.00000
196 -6.4985 1.00000
197 -6.4815 1.00000
198 -6.3967 1.00000
199 -6.3567 1.00000
200 -6.3558 1.00000
201 -6.3217 1.00000
202 -6.3142 1.00000
203 -6.2567 1.00000
204 -6.2549 1.00000
205 -6.1759 1.00000
206 -6.1743 1.00000
207 -6.0623 1.00000
208 -6.0458 1.00000
209 -5.8793 1.00000
210 -5.8529 1.00000
211 -5.8520 1.00000
212 -5.8470 1.00000
213 -5.8467 1.00000
214 -5.8409 1.00000
215 -5.8153 1.00000
216 -5.8145 1.00000
217 -5.6782 1.00000
218 -5.6775 1.00000
219 -5.6396 1.00000
220 -5.5880 1.00000
221 -5.4672 1.00000
222 -5.3674 1.00000
223 -5.2909 1.00000
224 -5.2893 1.00000
225 -5.2564 1.00000
226 -5.2494 1.00000
227 -5.1561 1.00000
228 -5.1355 1.00000
229 -5.0499 1.00000
230 -5.0497 1.00000
231 -4.9948 1.00000
232 -4.9300 1.00000
233 -4.8941 1.00000
234 -4.8856 1.00000
235 -4.8667 1.00000
236 -4.8644 1.00000
237 -4.8606 1.00000
238 -4.7516 1.00000
239 -4.5878 1.00000
240 -4.5867 1.00000
241 -4.5255 1.00000
242 -4.4660 1.00000
243 -4.4652 1.00000
244 -4.4446 1.00000
245 -4.4440 1.00000
246 -4.3822 1.00000
247 -4.1790 1.00000
248 -4.1769 1.00000
249 -4.1578 1.00000
250 -4.1408 1.00000
251 -4.0223 1.00000
252 -4.0209 1.00000
253 -3.9956 1.00000
254 -3.9598 1.00000
255 -3.9192 1.00000
256 -3.8705 1.00000
257 -3.8690 1.00000
258 -3.8350 1.00000
259 -3.7890 1.00000
260 -3.7342 1.00000
261 -3.7221 1.00000
262 -3.7219 1.00000
263 -3.6772 1.00000
264 -3.5913 1.00000
265 -3.5910 1.00000
266 -3.5424 1.00000
267 -3.5415 1.00000
268 -3.5045 1.00000
269 -3.4965 1.00000
270 -3.4578 1.00000
271 -3.4572 1.00000
272 -3.3466 1.00000
273 -3.2927 1.00000
274 -3.2639 1.00000
275 -3.2534 1.00000
276 -3.2530 1.00000
277 -3.2461 1.00000
278 -3.2451 1.00000
279 -3.1963 1.00000
280 -3.1349 1.00000
281 -3.1345 1.00000
282 -3.1334 1.00000
283 -3.1038 1.00000
284 -3.1034 1.00000
285 -3.0842 1.00000
286 -3.0557 1.00000
287 -2.9480 1.00000
288 -2.9425 1.00000
289 -2.9418 1.00000
290 -2.8937 1.00000
291 -2.8274 1.00000
292 -2.8266 1.00000
293 -2.7967 1.00000
294 -2.7759 1.00000
295 -2.7741 1.00000
296 -2.7735 1.00000
297 -2.7608 1.00000
298 -2.7395 1.00000
299 -2.7201 1.00000
300 -2.7194 1.00000
301 -2.7193 1.00000
302 -2.6782 1.00000
303 -2.6347 1.00000
304 -2.6344 1.00000
305 -2.5343 1.00000
306 -2.5337 1.00000
307 -2.4845 1.00000
308 -2.4567 1.00000
309 -2.4521 1.00000
310 -2.4520 1.00000
311 -2.4508 1.00000
312 -2.2804 1.00000
313 -2.2793 1.00000
314 -2.2789 1.00000
315 -2.1786 1.00000
316 -2.1533 1.00000
317 -2.1471 1.00000
318 -2.1449 1.00000
319 -2.0975 1.00000
320 -1.9483 1.00000
321 0.5938 0.00000
322 0.9070 0.00000
323 0.9086 0.00000
324 0.9831 0.00000
325 0.9846 0.00000
326 1.0551 0.00000
327 1.0564 0.00000
328 1.0898 0.00000
329 1.2735 0.00000
330 1.2749 0.00000
331 1.3882 0.00000
332 1.3952 0.00000
333 1.4032 0.00000
334 1.4040 0.00000
335 1.4173 0.00000
336 1.4198 0.00000
337 1.5536 0.00000
338 1.6476 0.00000
339 1.7201 0.00000
340 1.7355 0.00000
341 1.8905 0.00000
342 1.9540 0.00000
343 1.9549 0.00000
344 1.9737 0.00000
345 1.9741 0.00000
346 2.0366 0.00000
347 2.0819 0.00000
348 2.0832 0.00000
349 2.2704 0.00000
350 2.3243 0.00000
351 2.3258 0.00000
352 2.3287 0.00000
353 2.3948 0.00000
354 2.4622 0.00000
355 2.6268 0.00000
356 2.7754 0.00000
357 2.7769 0.00000
358 2.7931 0.00000
359 2.9320 0.00000
360 2.9566 0.00000
361 2.9592 0.00000
362 3.0046 0.00000
363 3.0553 0.00000
364 3.0880 0.00000
365 3.1828 0.00000
366 3.2415 0.00000
367 3.2434 0.00000
368 3.2439 0.00000
369 3.2453 0.00000
370 3.3559 0.00000
371 3.4094 0.00000
372 3.5340 0.00000
373 3.5357 0.00000
374 3.7066 0.00000
375 3.8264 0.00000
376 3.8362 0.00000
377 3.8866 0.00000
378 3.8892 0.00000
379 3.9815 0.00000
380 4.0286 0.00000
381 4.1068 0.00000
382 4.1083 0.00000
383 4.1850 0.00000
384 4.2262 0.00000
385 4.2283 0.00000
386 4.3080 0.00000
387 4.3634 0.00000
388 4.4116 0.00000
389 4.4176 0.00000
390 4.4203 0.00000
391 4.5512 0.00000
392 4.7014 0.00000
393 4.7051 0.00000
394 4.7093 0.00000
395 4.7299 0.00000
396 4.8402 0.00000
397 4.8814 0.00000
398 4.8928 0.00000
399 4.9645 0.00000
400 4.9650 0.00000
401 4.9704 0.00000
402 4.9775 0.00000
403 5.0639 0.00000
404 5.0678 0.00000
405 5.1822 0.00000
406 5.1894 0.00000
407 5.1903 0.00000
408 5.2568 0.00000
409 5.3318 0.00000
410 5.3456 0.00000
411 5.3488 0.00000
412 5.4392 0.00000
413 5.4785 0.00000
414 5.5144 0.00000
415 5.5151 0.00000
416 5.5765 0.00000
417 5.6685 0.00000
418 5.7310 0.00000
419 5.7322 0.00000
420 5.7522 0.00000
421 5.7854 0.00000
422 5.7960 0.00000
423 5.7962 0.00000
424 5.8554 0.00000
425 6.0193 0.00000
426 6.0198 0.00000
427 6.0812 0.00000
428 6.0814 0.00000
429 6.1883 0.00000
430 6.2343 0.00000
431 6.2347 0.00000
432 6.3350 0.00000
433 6.3352 0.00000
434 6.6009 0.00000
435 6.6205 0.00000
436 6.6205 0.00000
437 6.6442 0.00000
438 6.7555 0.00000
439 6.7558 0.00000
440 6.8731 0.00000
441 6.8737 0.00000
442 7.0556 0.00000
443 7.1874 0.00000
444 7.4595 0.00000
445 7.4619 0.00000
446 7.4899 0.00000
447 7.5467 0.00000
448 7.5472 0.00000
449 7.5768 0.00000
450 7.5943 0.00000
451 7.6620 0.00000
452 7.6780 0.00000
453 7.6786 0.00000
454 7.7134 0.00000
455 7.7342 0.00000
456 7.7344 0.00000
457 7.8470 0.00000
458 7.9404 0.00000
459 7.9798 0.00000
460 7.9802 0.00000
461 8.1151 0.00000
462 8.1959 0.00000
463 8.3100 0.00000
464 8.3436 0.00000
465 8.4529 0.00000
466 8.4735 0.00000
467 8.4744 0.00000
468 8.5919 0.00000
469 8.5931 0.00000
470 8.6709 0.00000
471 8.6735 0.00000
472 8.7033 0.00000
473 8.7042 0.00000
474 8.7045 0.00000
475 8.7530 0.00000
476 8.8469 0.00000
477 8.8948 0.00000
478 8.8962 0.00000
479 8.8966 0.00000
480 9.0157 0.00000
481 9.0497 0.00000
482 9.0723 0.00000
483 9.0921 0.00000
484 9.0953 0.00000
485 9.1253 0.00000
486 9.2451 0.00000
487 9.2503 0.00000
488 9.2509 0.00000
489 9.2663 0.00000
490 9.2690 0.00000
491 9.3422 0.00000
492 9.3424 0.00000
493 9.3982 0.00000
494 9.4002 0.00000
495 9.4273 0.00000
496 9.4647 0.00000
497 9.4653 0.00000
498 9.4766 0.00000
499 9.4780 0.00000
500 9.5339 0.00000
501 9.5958 0.00000
502 9.6724 0.00000
503 9.6728 0.00000
504 9.7402 0.00000
505 9.7709 0.00000
506 9.7936 0.00000
507 9.8552 0.00000
508 9.9710 0.00000
509 9.9714 0.00000
510 9.9725 0.00000
511 10.0039 0.00000
512 10.0698 0.00000
513 10.0864 0.00000
514 10.0876 0.00000
515 10.1997 0.00000
516 10.2596 0.00000
517 10.2611 0.00000
518 10.3028 0.00000
519 10.3072 0.00000
520 10.3551 0.00000
521 10.3646 0.00000
522 10.3649 0.00000
523 10.3737 0.00000
524 10.4096 0.00000
525 10.4241 0.00000
526 10.4282 0.00000
527 10.4287 0.00000
528 10.4800 0.00000
529 10.4809 0.00000
530 10.5299 0.00000
531 10.5776 0.00000
532 10.6055 0.00000
533 10.6310 0.00000
534 10.6314 0.00000
535 10.6907 0.00000
536 10.7020 0.00000
537 10.7533 0.00000
538 10.7540 0.00000
539 10.7786 0.00000
540 10.8317 0.00000
541 10.8364 0.00000
542 10.8372 0.00000
543 10.8652 0.00000
544 10.8657 0.00000
545 10.9290 0.00000
546 10.9730 0.00000
547 10.9737 0.00000
548 11.0173 0.00000
549 11.0297 0.00000
550 11.0375 0.00000
551 11.0380 0.00000
552 11.0853 0.00000
553 11.1114 0.00000
554 11.2112 0.00000
555 11.2371 0.00000
556 11.2381 0.00000
557 11.2578 0.00000
558 11.3200 0.00000
559 11.3216 0.00000
560 11.3669 0.00000
561 11.4179 0.00000
562 11.4601 0.00000
563 11.4905 0.00000
564 11.5051 0.00000
565 11.6074 0.00000
566 11.6411 0.00000
567 11.6447 0.00000
568 11.6666 0.00000
569 11.6668 0.00000
570 11.7570 0.00000
571 11.7942 0.00000
572 11.7946 0.00000
573 11.8314 0.00000
574 11.8320 0.00000
575 11.9528 0.00000
576 12.0096 0.00000
577 12.0186 0.00000
578 12.0187 0.00000
579 12.0321 0.00000
580 12.0717 0.00000
581 12.0724 0.00000
582 12.0788 0.00000
583 12.1126 0.00000
584 12.1492 0.00000
585 12.2006 0.00000
586 12.2014 0.00000
587 12.2414 0.00000
588 12.2421 0.00000
589 12.2425 0.00000
590 12.3065 0.00000
591 12.3099 0.00000
592 12.3122 0.00000
593 12.3848 0.00000
594 12.4380 0.00000
595 12.4881 0.00000
596 12.5241 0.00000
597 12.5542 0.00000
598 12.5779 0.00000
599 12.5782 0.00000
600 12.6016 0.00000
601 12.6618 0.00000
602 12.7432 0.00000
603 12.8324 0.00000
604 12.8325 0.00000
605 12.8326 0.00000
606 12.8698 0.00000
607 12.9266 0.00000
608 12.9332 0.00000
609 12.9346 0.00000
610 12.9779 0.00000
611 13.0672 0.00000
612 13.0690 0.00000
613 13.0697 0.00000
614 13.0972 0.00000
615 13.0988 0.00000
616 13.0992 0.00000
617 13.2197 0.00000
618 13.2249 0.00000
619 13.2279 0.00000
620 13.2290 0.00000
621 13.3405 0.00000
622 13.3439 0.00000
623 13.4133 0.00000
624 13.4619 0.00000
625 13.5021 0.00000
626 13.5478 0.00000
627 13.5486 0.00000
628 13.5627 0.00000
629 13.5785 0.00000
630 13.5902 0.00000
631 13.5914 0.00000
632 13.6071 0.00000
633 13.6075 0.00000
634 13.7568 0.00000
635 13.7777 0.00000
636 13.7781 0.00000
637 13.7987 0.00000
638 13.8298 0.00000
639 13.8302 0.00000
640 13.9299 0.00000
641 13.9302 0.00000
642 13.9315 0.00000
643 13.9660 0.00000
644 13.9719 0.00000
645 14.0254 0.00000
646 14.0472 0.00000
647 14.0754 0.00000
648 14.0766 0.00000
649 14.0965 0.00000
650 14.0979 0.00000
651 14.1573 0.00000
652 14.1915 0.00000
653 14.2680 0.00000
654 14.2977 0.00000
655 14.2980 0.00000
656 14.3597 0.00000
657 14.4051 0.00000
658 14.4181 0.00000
659 14.4246 0.00000
660 14.4748 0.00000
661 14.5506 0.00000
662 14.5513 0.00000
663 14.5612 0.00000
664 14.5618 0.00000
665 14.5682 0.00000
666 14.5853 0.00000
667 14.6160 0.00000
668 14.7081 0.00000
669 14.7169 0.00000
670 14.7723 0.00000
671 14.8014 0.00000
672 14.8020 0.00000
673 14.8278 0.00000
674 14.8282 0.00000
675 14.8413 0.00000
676 14.8703 0.00000
677 15.0155 0.00000
678 15.0543 0.00000
679 15.0728 0.00000
680 15.0731 0.00000
681 15.1060 0.00000
682 15.1097 0.00000
683 15.1104 0.00000
684 15.1107 0.00000
685 15.2155 0.00000
686 15.2481 0.00000
687 15.2631 0.00000
688 15.2632 0.00000
689 15.2923 0.00000
690 15.3226 0.00000
691 15.3228 0.00000
692 15.3411 0.00000
693 15.3728 0.00000
694 15.3740 0.00000
695 15.4015 0.00000
696 15.4505 0.00000
697 15.4840 0.00000
698 15.4907 0.00000
699 15.4918 0.00000
700 15.5144 0.00000
701 15.5150 0.00000
702 15.5375 0.00000
703 15.5418 0.00000
704 15.5701 0.00000
705 15.6381 0.00000
706 15.6674 0.00000
707 15.6910 0.00000
708 15.6924 0.00000
709 15.7208 0.00000
710 15.7220 0.00000
711 15.7302 0.00000
712 15.7357 0.00000
713 15.7865 0.00000
714 15.8314 0.00000
715 15.8330 0.00000
716 15.8869 0.00000
717 15.8945 0.00000
718 15.8961 0.00000
719 15.9120 0.00000
720 15.9411 0.00000
721 15.9916 0.00000
722 16.0796 0.00000
723 16.0990 0.00000
724 16.1003 0.00000
725 16.1605 0.00000
726 16.1622 0.00000
727 16.2470 0.00000
728 16.2472 0.00000
729 16.2555 0.00000
730 16.2556 0.00000
731 16.3027 0.00000
732 16.3048 0.00000
733 16.3162 0.00000
734 16.3471 0.00000
735 16.3474 0.00000
736 16.3502 0.00000
737 16.3927 0.00000
738 16.3934 0.00000
739 16.4186 0.00000
740 16.4729 0.00000
741 16.4741 0.00000
742 16.5290 0.00000
743 16.5301 0.00000
744 16.5378 0.00000
745 16.6077 0.00000
746 16.6124 0.00000
747 16.6187 0.00000
748 16.6196 0.00000
749 16.6261 0.00000
750 16.6960 0.00000
751 16.7185 0.00000
752 16.7187 0.00000
753 16.7485 0.00000
754 16.7843 0.00000
755 16.7850 0.00000
756 16.8219 0.00000
757 16.8224 0.00000
758 16.8393 0.00000
759 16.8592 0.00000
760 16.8595 0.00000
761 16.9112 0.00000
762 16.9119 0.00000
763 16.9580 0.00000
764 16.9770 0.00000
765 16.9776 0.00000
766 16.9921 0.00000
767 17.0065 0.00000
768 17.0274 0.00000
769 17.0279 0.00000
770 17.1243 0.00000
771 17.1450 0.00000
772 17.1460 0.00000
773 17.1635 0.00000
774 17.2023 0.00000
775 17.2027 0.00000
776 17.2174 0.00000
777 17.2180 0.00000
778 17.2254 0.00000
779 17.2623 0.00000
780 17.2689 0.00000
781 17.3604 0.00000
782 17.3787 0.00000
783 17.3789 0.00000
784 17.3982 0.00000
785 17.4013 0.00000
786 17.4168 0.00000
787 17.4686 0.00000
788 17.4817 0.00000
789 17.4822 0.00000
790 17.4824 0.00000
791 17.4976 0.00000
792 17.4983 0.00000
793 17.5174 0.00000
794 17.5178 0.00000
795 17.5999 0.00000
796 17.6202 0.00000
797 17.6394 0.00000
798 17.6704 0.00000
799 17.6707 0.00000
800 17.6786 0.00000
801 17.7269 0.00000
802 17.7278 0.00000
803 17.8269 0.00000
804 17.8277 0.00000
805 17.8580 0.00000
806 17.8584 0.00000
807 17.8622 0.00000
808 17.8934 0.00000
809 17.8943 0.00000
810 17.9378 0.00000
811 17.9466 0.00000
812 17.9683 0.00000
813 18.0058 0.00000
814 18.0060 0.00000
815 18.0646 0.00000
816 18.1606 0.00000
817 18.1613 0.00000
818 18.1741 0.00000
819 18.1935 0.00000
820 18.1967 0.00000
821 18.1980 0.00000
822 18.2233 0.00000
823 18.2253 0.00000
824 18.2874 0.00000
825 18.4318 0.00000
826 18.4369 0.00000
827 18.4605 0.00000
828 18.4968 0.00000
829 18.4971 0.00000
830 18.4978 0.00000
831 18.4986 0.00000
832 18.5004 0.00000
833 18.5639 0.00000
834 18.6288 0.00000
835 18.6297 0.00000
836 18.6417 0.00000
837 18.6686 0.00000
838 18.6693 0.00000
839 18.6809 0.00000
840 18.6950 0.00000
841 18.6955 0.00000
842 18.7383 0.00000
843 18.7647 0.00000
844 18.8910 0.00000
845 18.9054 0.00000
846 18.9073 0.00000
847 18.9083 0.00000
848 18.9276 0.00000
849 18.9415 0.00000
850 18.9816 0.00000
851 18.9826 0.00000
852 18.9833 0.00000
853 19.0833 0.00000
854 19.1057 0.00000
855 19.1242 0.00000
856 19.1251 0.00000
857 19.1387 0.00000
858 19.1454 0.00000
859 19.1473 0.00000
860 19.2073 0.00000
861 19.2221 0.00000
862 19.2433 0.00000
863 19.2440 0.00000
864 19.3118 0.00000
865 19.3658 0.00000
866 19.3672 0.00000
867 19.3931 0.00000
868 19.3942 0.00000
869 19.4775 0.00000
870 19.4782 0.00000
871 19.4847 0.00000
872 19.4912 0.00000
873 19.5005 0.00000
874 19.5275 0.00000
875 19.6087 0.00000
876 19.6238 0.00000
877 19.6617 0.00000
878 19.6628 0.00000
879 19.6797 0.00000
880 19.6802 0.00000
881 19.6847 0.00000
882 19.6889 0.00000
883 19.7962 0.00000
884 19.8201 0.00000
885 19.8209 0.00000
886 19.8284 0.00000
887 19.8292 0.00000
888 19.8434 0.00000
889 19.9067 0.00000
890 19.9192 0.00000
891 19.9201 0.00000
892 20.0128 0.00000
893 20.0361 0.00000
894 20.0416 0.00000
895 20.0804 0.00000
896 20.0993 0.00000
897 20.1058 0.00000
898 20.1065 0.00000
899 20.1804 0.00000
900 20.1811 0.00000
901 20.2192 0.00000
902 20.2309 0.00000
903 20.2438 0.00000
904 20.2876 0.00000
905 20.3082 0.00000
906 20.3142 0.00000
907 20.3151 0.00000
908 20.3158 0.00000
909 20.3168 0.00000
910 20.3506 0.00000
911 20.3903 0.00000
912 20.4592 0.00000
913 20.4633 0.00000
914 20.4635 0.00000
915 20.4653 0.00000
916 20.4660 0.00000
917 20.5168 0.00000
918 20.5221 0.00000
919 20.5597 0.00000
920 20.6093 0.00000
921 20.6376 0.00000
922 20.6379 0.00000
923 20.6499 0.00000
924 20.6504 0.00000
925 20.6572 0.00000
926 20.6756 0.00000
927 20.6867 0.00000
928 20.6871 0.00000
929 20.7347 0.00000
930 20.7354 0.00000
931 20.7356 0.00000
932 20.7602 0.00000
933 20.7770 0.00000
934 20.7774 0.00000
935 20.8350 0.00000
936 20.8693 0.00000
937 20.8759 0.00000
938 20.8917 0.00000
939 20.8933 0.00000
940 20.9638 0.00000
941 20.9839 0.00000
942 20.9844 0.00000
943 21.0208 0.00000
944 21.0631 0.00000
945 21.0638 0.00000
946 21.1176 0.00000
947 21.1193 0.00000
948 21.1427 0.00000
949 21.1585 0.00000
950 21.1587 0.00000
951 21.2400 0.00000
952 21.2402 0.00000
953 21.2418 0.00000
954 21.2434 0.00000
955 21.2449 0.00000
956 21.2757 0.00000
957 21.2871 0.00000
958 21.2987 0.00000
959 21.3195 0.00000
960 21.3253 0.00000
961 21.4039 0.00000
962 21.4045 0.00000
963 21.4106 0.00000
964 21.4120 0.00000
965 21.4317 0.00000
966 21.4432 0.00000
967 21.4616 0.00000
968 21.5015 0.00000
969 21.5164 0.00000
970 21.5787 0.00000
971 21.5797 0.00000
972 21.5929 0.00000
973 21.6889 0.00000
974 21.7328 0.00000
975 21.7411 0.00000
976 21.7422 0.00000
977 21.7670 0.00000
978 21.7689 0.00000
979 21.7733 0.00000
980 21.7738 0.00000
981 21.7842 0.00000
982 21.8165 0.00000
983 21.8395 0.00000
984 21.8760 0.00000
985 21.8764 0.00000
986 21.8937 0.00000
987 21.9288 0.00000
988 21.9423 0.00000
989 21.9642 0.00000
990 21.9807 0.00000
991 21.9826 0.00000
992 22.0277 0.00000
993 22.1034 0.00000
994 22.1035 0.00000
995 22.1246 0.00000
996 22.1609 0.00000
997 22.1840 0.00000
998 22.2046 0.00000
999 22.2049 0.00000
1000 22.2125 0.00000
1001 22.2235 0.00000
1002 22.2236 0.00000
1003 22.2506 0.00000
1004 22.2871 0.00000
1005 22.2924 0.00000
1006 22.3496 0.00000
1007 22.4248 0.00000
1008 22.4257 0.00000
1009 22.4613 0.00000
1010 22.4759 0.00000
1011 22.4766 0.00000
1012 22.5343 0.00000
1013 22.5348 0.00000
1014 22.5513 0.00000
1015 22.5720 0.00000
1016 22.5722 0.00000
1017 22.6012 0.00000
1018 22.6321 0.00000
1019 22.6322 0.00000
1020 22.6589 0.00000
1021 22.6848 0.00000
1022 22.6917 0.00000
1023 22.6925 0.00000
1024 22.7031 0.00000
1025 22.7689 0.00000
1026 22.8064 0.00000
1027 22.8080 0.00000
1028 22.8930 0.00000
1029 22.8937 0.00000
1030 22.9052 0.00000
1031 22.9087 0.00000
1032 22.9247 0.00000
1033 23.0054 0.00000
1034 23.0205 0.00000
1035 23.0213 0.00000
1036 23.0308 0.00000
1037 23.0501 0.00000
1038 23.0503 0.00000
1039 23.0506 0.00000
1040 23.0787 0.00000
1041 23.2322 0.00000
1042 23.2327 0.00000
1043 23.2700 0.00000
1044 23.2725 0.00000
1045 23.3111 0.00000
1046 23.3257 0.00000
1047 23.3487 0.00000
1048 23.3957 0.00000
1049 23.3979 0.00000
1050 23.4098 0.00000
1051 23.4603 0.00000
1052 23.5091 0.00000
1053 23.5301 0.00000
1054 23.5318 0.00000
1055 23.5581 0.00000
1056 23.6047 0.00000
1057 23.6180 0.00000
1058 23.6251 0.00000
1059 23.6258 0.00000
1060 23.6347 0.00000
1061 23.6359 0.00000
1062 23.7054 0.00000
1063 23.7065 0.00000
1064 23.7251 0.00000
1065 23.7268 0.00000
1066 23.7322 0.00000
1067 23.7352 0.00000
1068 23.7762 0.00000
1069 23.7959 0.00000
1070 23.8439 0.00000
1071 23.8457 0.00000
1072 23.8796 0.00000
1073 23.8832 0.00000
1074 23.8989 0.00000
1075 23.9428 0.00000
1076 23.9981 0.00000
1077 24.0000 0.00000
1078 24.0018 0.00000
1079 24.0401 0.00000
1080 24.0418 0.00000
1081 24.0475 0.00000
1082 24.1701 0.00000
1083 24.2055 0.00000
1084 24.2375 0.00000
1085 24.2386 0.00000
1086 24.2419 0.00000
1087 24.2772 0.00000
1088 24.2789 0.00000
1089 24.2834 0.00000
1090 24.2917 0.00000
1091 24.2957 0.00000
1092 24.3419 0.00000
1093 24.3588 0.00000
1094 24.3784 0.00000
1095 24.3870 0.00000
1096 24.3920 0.00000
1097 24.4508 0.00000
1098 24.4785 0.00000
1099 24.4871 0.00000
1100 24.4998 0.00000
1101 24.5233 0.00000
1102 24.5655 0.00000
1103 24.5711 0.00000
1104 24.6035 0.00000
1105 24.6144 0.00000
1106 24.6199 0.00000
1107 24.6317 0.00000
1108 24.6431 0.00000
1109 24.6890 0.00000
1110 24.7032 0.00000
1111 24.7133 0.00000
1112 24.7403 0.00000
1113 24.7650 0.00000
1114 24.7896 0.00000
1115 24.8008 0.00000
1116 24.8188 0.00000
1117 24.8228 0.00000
1118 24.8499 0.00000
1119 24.8808 0.00000
1120 24.9014 0.00000
1121 24.9179 0.00000
1122 24.9462 0.00000
1123 24.9965 0.00000
1124 25.0040 0.00000
1125 25.0189 0.00000
1126 25.0310 0.00000
1127 25.0508 0.00000
1128 25.0869 0.00000
1129 25.1078 0.00000
1130 25.1206 0.00000
1131 25.1434 0.00000
1132 25.1679 0.00000
1133 25.1978 0.00000
1134 25.2315 0.00000
1135 25.2615 0.00000
1136 25.3012 0.00000
1137 25.3204 0.00000
1138 25.3526 0.00000
1139 25.3793 0.00000
1140 25.4010 0.00000
1141 25.4289 0.00000
1142 25.4538 0.00000
1143 25.4711 0.00000
1144 25.5021 0.00000
1145 25.5454 0.00000
1146 25.5773 0.00000
1147 25.6112 0.00000
1148 25.6406 0.00000
1149 25.6659 0.00000
1150 25.7105 0.00000
1151 25.7327 0.00000
1152 25.7844 0.00000
k-point 2 : 0.3333 0.0000 0.0000
band No. band energies occupation
1 -76.4224 1.00000
2 -76.4223 1.00000
3 -76.4221 1.00000
4 -76.4218 1.00000
5 -76.4216 1.00000
6 -76.4211 1.00000
7 -76.4208 1.00000
8 -76.4206 1.00000
9 -40.7756 1.00000
10 -40.7752 1.00000
11 -40.7722 1.00000
12 -40.7715 1.00000
13 -40.7715 1.00000
14 -40.7711 1.00000
15 -40.7694 1.00000
16 -40.7672 1.00000
17 -40.7572 1.00000
18 -40.7561 1.00000
19 -40.7475 1.00000
20 -40.7474 1.00000
21 -40.7448 1.00000
22 -40.7447 1.00000
23 -40.7420 1.00000
24 -40.7375 1.00000
25 -40.7008 1.00000
26 -40.7004 1.00000
27 -40.6941 1.00000
28 -40.6939 1.00000
29 -40.6927 1.00000
30 -40.6922 1.00000
31 -40.6886 1.00000
32 -40.6869 1.00000
33 -24.0600 1.00000
34 -24.0501 1.00000
35 -24.0392 1.00000
36 -24.0388 1.00000
37 -24.0387 1.00000
38 -24.0355 1.00000
39 -24.0351 1.00000
40 -24.0349 1.00000
41 -24.0090 1.00000
42 -23.9981 1.00000
43 -23.9859 1.00000
44 -23.9849 1.00000
45 -23.9844 1.00000
46 -23.9818 1.00000
47 -23.9807 1.00000
48 -23.9802 1.00000
49 -23.9254 1.00000
50 -23.9234 1.00000
51 -23.8651 1.00000
52 -23.8618 1.00000
53 -23.8525 1.00000
54 -23.8522 1.00000
55 -23.8506 1.00000
56 -23.8503 1.00000
57 -23.8291 1.00000
58 -23.8274 1.00000
59 -23.8182 1.00000
60 -23.8162 1.00000
61 -23.8152 1.00000
62 -23.8143 1.00000
63 -23.8140 1.00000
64 -23.8134 1.00000
65 -23.7990 1.00000
66 -23.7986 1.00000
67 -23.7958 1.00000
68 -23.7955 1.00000
69 -23.7801 1.00000
70 -23.7789 1.00000
71 -23.7721 1.00000
72 -23.7694 1.00000
73 -23.7637 1.00000
74 -23.7611 1.00000
75 -23.7596 1.00000
76 -23.7579 1.00000
77 -23.7578 1.00000
78 -23.7568 1.00000
79 -23.7565 1.00000
80 -23.7556 1.00000
81 -23.7544 1.00000
82 -23.7536 1.00000
83 -23.7534 1.00000
84 -23.7527 1.00000
85 -23.7255 1.00000
86 -23.7224 1.00000
87 -23.7196 1.00000
88 -23.7142 1.00000
89 -23.7130 1.00000
90 -23.7123 1.00000
91 -23.7123 1.00000
92 -23.7112 1.00000
93 -23.7102 1.00000
94 -23.7065 1.00000
95 -23.6778 1.00000
96 -23.6741 1.00000
97 -23.6703 1.00000
98 -23.6680 1.00000
99 -23.6477 1.00000
100 -23.6469 1.00000
101 -23.6464 1.00000
102 -23.6458 1.00000
103 -23.6375 1.00000
104 -23.6300 1.00000
105 -23.6224 1.00000
106 -23.6129 1.00000
107 -23.6058 1.00000
108 -23.6047 1.00000
109 -23.6040 1.00000
110 -23.6031 1.00000
111 -23.5767 1.00000
112 -23.5654 1.00000
113 -20.2764 1.00000
114 -20.1201 1.00000
115 -19.7605 1.00000
116 -19.7598 1.00000
117 -19.7075 1.00000
118 -19.7071 1.00000
119 -19.6463 1.00000
120 -19.5685 1.00000
121 -19.3443 1.00000
122 -19.3438 1.00000
123 -19.3270 1.00000
124 -19.3261 1.00000
125 -19.2848 1.00000
126 -19.2796 1.00000
127 -19.1690 1.00000
128 -19.1099 1.00000
129 -18.9305 1.00000
130 -18.9183 1.00000
131 -18.8909 1.00000
132 -18.8633 1.00000
133 -18.8630 1.00000
134 -18.8401 1.00000
135 -18.7786 1.00000
136 -18.7780 1.00000
137 -18.6956 1.00000
138 -18.6638 1.00000
139 -18.5988 1.00000
140 -18.5919 1.00000
141 -18.4307 1.00000
142 -18.4298 1.00000
143 -18.4293 1.00000
144 -18.4281 1.00000
145 -18.3612 1.00000
146 -18.3555 1.00000
147 -18.2881 1.00000
148 -18.2807 1.00000
149 -18.2195 1.00000
150 -18.2186 1.00000
151 -18.2117 1.00000
152 -18.2104 1.00000
153 -18.1181 1.00000
154 -18.1174 1.00000
155 -18.1139 1.00000
156 -18.1133 1.00000
157 -17.5590 1.00000
158 -17.5457 1.00000
159 -17.5422 1.00000
160 -17.5396 1.00000
161 -11.7736 1.00000
162 -11.6845 1.00000
163 -11.6421 1.00000
164 -11.5921 1.00000
165 -10.9811 1.00000
166 -10.9800 1.00000
167 -10.9310 1.00000
168 -10.9306 1.00000
169 -10.9058 1.00000
170 -10.9044 1.00000
171 -10.8576 1.00000
172 -10.8571 1.00000
173 -10.1358 1.00000
174 -10.1033 1.00000
175 -10.0055 1.00000
176 -9.9482 1.00000
177 -7.4878 1.00000
178 -7.3618 1.00000
179 -7.3315 1.00000
180 -7.2929 1.00000
181 -7.2925 1.00000
182 -7.1486 1.00000
183 -7.1166 1.00000
184 -7.1163 1.00000
185 -7.0825 1.00000
186 -7.0820 1.00000
187 -7.0632 1.00000
188 -6.9317 1.00000
189 -6.9121 1.00000
190 -6.9117 1.00000
191 -6.8802 1.00000
192 -6.6510 1.00000
193 -6.5945 1.00000
194 -6.5474 1.00000
195 -6.4710 1.00000
196 -6.4363 1.00000
197 -6.4231 1.00000
198 -6.4225 1.00000
199 -6.3146 1.00000
200 -6.2837 1.00000
201 -6.2826 1.00000
202 -6.2460 1.00000
203 -6.2445 1.00000
204 -6.1949 1.00000
205 -6.1267 1.00000
206 -6.0453 1.00000
207 -6.0441 1.00000
208 -6.0281 1.00000
209 -6.0232 1.00000
210 -6.0227 1.00000
211 -5.9063 1.00000
212 -5.8943 1.00000
213 -5.8752 1.00000
214 -5.7719 1.00000
215 -5.7405 1.00000
216 -5.7395 1.00000
217 -5.7345 1.00000
218 -5.7250 1.00000
219 -5.7239 1.00000
220 -5.6498 1.00000
221 -5.5476 1.00000
222 -5.5222 1.00000
223 -5.5114 1.00000
224 -5.5099 1.00000
225 -5.2478 1.00000
226 -5.1560 1.00000
227 -5.1354 1.00000
228 -5.0646 1.00000
229 -5.0064 1.00000
230 -4.9993 1.00000
231 -4.9984 1.00000
232 -4.9977 1.00000
233 -4.8974 1.00000
234 -4.8959 1.00000
235 -4.8630 1.00000
236 -4.8075 1.00000
237 -4.6349 1.00000
238 -4.5972 1.00000
239 -4.5962 1.00000
240 -4.5580 1.00000
241 -4.4843 1.00000
242 -4.4840 1.00000
243 -4.4331 1.00000
244 -4.3461 1.00000
245 -4.3208 1.00000
246 -4.3199 1.00000
247 -4.3058 1.00000
248 -4.2092 1.00000
249 -4.1456 1.00000
250 -4.1427 1.00000
251 -4.1417 1.00000
252 -3.9698 1.00000
253 -3.9592 1.00000
254 -3.9579 1.00000
255 -3.8902 1.00000
256 -3.8506 1.00000
257 -3.8494 1.00000
258 -3.7929 1.00000
259 -3.7899 1.00000
260 -3.7246 1.00000
261 -3.7022 1.00000
262 -3.7017 1.00000
263 -3.6469 1.00000
264 -3.5728 1.00000
265 -3.5726 1.00000
266 -3.5351 1.00000
267 -3.5187 1.00000
268 -3.5180 1.00000
269 -3.4988 1.00000
270 -3.4983 1.00000
271 -3.4440 1.00000
272 -3.3696 1.00000
273 -3.3195 1.00000
274 -3.2894 1.00000
275 -3.2673 1.00000
276 -3.2669 1.00000
277 -3.2588 1.00000
278 -3.2577 1.00000
279 -3.1748 1.00000
280 -3.1284 1.00000
281 -3.1275 1.00000
282 -3.1245 1.00000
283 -3.1236 1.00000
284 -3.0605 1.00000
285 -3.0444 1.00000
286 -2.9702 1.00000
287 -2.9682 1.00000
288 -2.9299 1.00000
289 -2.9292 1.00000
290 -2.8709 1.00000
291 -2.8404 1.00000
292 -2.8399 1.00000
293 -2.8357 1.00000
294 -2.8000 1.00000
295 -2.7986 1.00000
296 -2.7794 1.00000
297 -2.7791 1.00000
298 -2.7753 1.00000
299 -2.7692 1.00000
300 -2.7689 1.00000
301 -2.7352 1.00000
302 -2.6920 1.00000
303 -2.6441 1.00000
304 -2.6437 1.00000
305 -2.5814 1.00000
306 -2.5811 1.00000
307 -2.5237 1.00000
308 -2.4718 1.00000
309 -2.4715 1.00000
310 -2.4088 1.00000
311 -2.4074 1.00000
312 -2.3686 1.00000
313 -2.3330 1.00000
314 -2.3316 1.00000
315 -2.2257 1.00000
316 -2.2118 1.00000
317 -2.1594 1.00000
318 -2.0668 1.00000
319 -2.0540 1.00000
320 -1.9541 1.00000
321 0.7203 0.00000
322 0.8940 0.00000
323 1.0103 0.00000
324 1.0275 0.00000
325 1.0287 0.00000
326 1.0911 0.00000
327 1.1173 0.00000
328 1.1183 0.00000
329 1.2616 0.00000
330 1.2627 0.00000
331 1.3042 0.00000
332 1.3317 0.00000
333 1.3755 0.00000
334 1.3777 0.00000
335 1.5130 0.00000
336 1.5144 0.00000
337 1.5485 0.00000
338 1.5931 0.00000
339 1.7511 0.00000
340 1.8201 0.00000
341 1.8389 0.00000
342 1.8402 0.00000
343 1.8664 0.00000
344 2.0196 0.00000
345 2.0201 0.00000
346 2.0347 0.00000
347 2.0349 0.00000
348 2.0841 0.00000
349 2.1825 0.00000
350 2.1959 0.00000
351 2.3450 0.00000
352 2.3829 0.00000
353 2.3835 0.00000
354 2.4452 0.00000
355 2.5225 0.00000
356 2.6273 0.00000
357 2.7124 0.00000
358 2.7303 0.00000
359 2.7319 0.00000
360 2.9192 0.00000
361 2.9211 0.00000
362 2.9224 0.00000
363 3.0820 0.00000
364 3.1158 0.00000
365 3.1160 0.00000
366 3.1174 0.00000
367 3.3920 0.00000
368 3.4254 0.00000
369 3.5508 0.00000
370 3.6086 0.00000
371 3.6105 0.00000
372 3.6135 0.00000
373 3.6691 0.00000
374 3.6925 0.00000
375 3.7356 0.00000
376 3.7380 0.00000
377 3.8780 0.00000
378 3.9477 0.00000
379 3.9498 0.00000
380 4.0660 0.00000
381 4.1777 0.00000
382 4.2375 0.00000
383 4.2404 0.00000
384 4.2468 0.00000
385 4.2883 0.00000
386 4.2905 0.00000
387 4.2953 0.00000
388 4.3406 0.00000
389 4.5484 0.00000
390 4.5633 0.00000
391 4.5974 0.00000
392 4.6405 0.00000
393 4.6423 0.00000
394 4.7153 0.00000
395 4.7808 0.00000
396 4.7947 0.00000
397 4.7964 0.00000
398 4.8490 0.00000
399 4.9225 0.00000
400 4.9349 0.00000
401 4.9386 0.00000
402 4.9939 0.00000
403 5.0498 0.00000
404 5.0786 0.00000
405 5.0792 0.00000
406 5.1668 0.00000
407 5.2162 0.00000
408 5.2169 0.00000
409 5.3323 0.00000
410 5.3329 0.00000
411 5.3370 0.00000
412 5.3605 0.00000
413 5.4134 0.00000
414 5.4141 0.00000
415 5.4656 0.00000
416 5.4680 0.00000
417 5.5828 0.00000
418 5.6399 0.00000
419 5.6406 0.00000
420 5.7512 0.00000
421 5.7702 0.00000
422 5.7713 0.00000
423 5.9125 0.00000
424 5.9126 0.00000
425 5.9554 0.00000
426 5.9873 0.00000
427 6.0248 0.00000
428 6.0526 0.00000
429 6.1352 0.00000
430 6.2192 0.00000
431 6.2195 0.00000
432 6.5799 0.00000
433 6.6671 0.00000
434 6.7286 0.00000
435 6.7287 0.00000
436 6.8675 0.00000
437 6.8681 0.00000
438 6.8922 0.00000
439 6.9569 0.00000
440 6.9574 0.00000
441 6.9738 0.00000
442 7.1666 0.00000
443 7.1679 0.00000
444 7.1681 0.00000
445 7.2938 0.00000
446 7.3896 0.00000
447 7.3915 0.00000
448 7.4670 0.00000
449 7.4784 0.00000
450 7.5763 0.00000
451 7.5767 0.00000
452 7.7065 0.00000
453 7.7325 0.00000
454 7.7329 0.00000
455 7.8356 0.00000
456 7.9388 0.00000
457 7.9571 0.00000
458 7.9583 0.00000
459 7.9781 0.00000
460 7.9786 0.00000
461 8.0091 0.00000
462 8.0969 0.00000
463 8.1560 0.00000
464 8.1562 0.00000
465 8.2443 0.00000
466 8.3234 0.00000
467 8.3238 0.00000
468 8.4589 0.00000
469 8.4984 0.00000
470 8.5173 0.00000
471 8.5176 0.00000
472 8.5539 0.00000
473 8.6564 0.00000
474 8.7515 0.00000
475 8.8169 0.00000
476 8.8305 0.00000
477 8.8307 0.00000
478 8.8857 0.00000
479 8.8864 0.00000
480 9.0272 0.00000
481 9.0650 0.00000
482 9.0929 0.00000
483 9.0935 0.00000
484 9.1256 0.00000
485 9.1620 0.00000
486 9.1622 0.00000
487 9.2084 0.00000
488 9.2822 0.00000
489 9.2930 0.00000
490 9.2955 0.00000
491 9.3129 0.00000
492 9.3488 0.00000
493 9.4211 0.00000
494 9.4213 0.00000
495 9.4216 0.00000
496 9.4926 0.00000
497 9.5126 0.00000
498 9.5183 0.00000
499 9.5842 0.00000
500 9.5847 0.00000
501 9.6833 0.00000
502 9.7558 0.00000
503 9.7662 0.00000
504 9.7669 0.00000
505 9.7865 0.00000
506 9.7884 0.00000
507 9.8077 0.00000
508 9.8209 0.00000
509 9.8549 0.00000
510 9.9567 0.00000
511 9.9873 0.00000
512 10.0050 0.00000
513 10.0062 0.00000
514 10.0415 0.00000
515 10.0829 0.00000
516 10.1124 0.00000
517 10.1135 0.00000
518 10.1839 0.00000
519 10.2087 0.00000
520 10.2099 0.00000
521 10.2180 0.00000
522 10.2953 0.00000
523 10.3203 0.00000
524 10.3350 0.00000
525 10.4107 0.00000
526 10.4119 0.00000
527 10.4131 0.00000
528 10.4150 0.00000
529 10.4160 0.00000
530 10.4983 0.00000
531 10.5808 0.00000
532 10.6289 0.00000
533 10.6518 0.00000
534 10.7362 0.00000
535 10.7371 0.00000
536 10.7607 0.00000
537 10.7814 0.00000
538 10.8130 0.00000
539 10.8384 0.00000
540 10.8876 0.00000
541 10.9170 0.00000
542 10.9177 0.00000
543 10.9255 0.00000
544 10.9268 0.00000
545 10.9868 0.00000
546 11.0792 0.00000
547 11.0838 0.00000
548 11.1040 0.00000
549 11.1044 0.00000
550 11.2201 0.00000
551 11.2705 0.00000
552 11.2827 0.00000
553 11.2944 0.00000
554 11.3068 0.00000
555 11.3078 0.00000
556 11.3340 0.00000
557 11.3342 0.00000
558 11.3927 0.00000
559 11.4238 0.00000
560 11.4862 0.00000
561 11.5008 0.00000
562 11.5681 0.00000
563 11.5684 0.00000
564 11.5886 0.00000
565 11.6505 0.00000
566 11.6516 0.00000
567 11.7126 0.00000
568 11.7492 0.00000
569 11.7869 0.00000
570 11.8366 0.00000
571 11.8375 0.00000
572 11.8444 0.00000
573 11.9366 0.00000
574 11.9440 0.00000
575 11.9446 0.00000
576 11.9666 0.00000
577 12.0157 0.00000
578 12.0665 0.00000
579 12.0703 0.00000
580 12.0795 0.00000
581 12.0799 0.00000
582 12.1439 0.00000
583 12.1444 0.00000
584 12.1958 0.00000
585 12.2873 0.00000
586 12.2876 0.00000
587 12.3163 0.00000
588 12.3404 0.00000
589 12.3573 0.00000
590 12.3577 0.00000
591 12.3583 0.00000
592 12.3910 0.00000
593 12.3917 0.00000
594 12.4217 0.00000
595 12.4718 0.00000
596 12.5161 0.00000
597 12.5947 0.00000
598 12.6026 0.00000
599 12.6248 0.00000
600 12.7000 0.00000
601 12.7002 0.00000
602 12.7398 0.00000
603 12.7479 0.00000
604 12.7483 0.00000
605 12.8369 0.00000
606 12.8959 0.00000
607 12.9465 0.00000
608 12.9475 0.00000
609 12.9529 0.00000
610 12.9537 0.00000
611 12.9959 0.00000
612 13.0140 0.00000
613 13.0493 0.00000
614 13.0860 0.00000
615 13.1417 0.00000
616 13.1580 0.00000
617 13.1586 0.00000
618 13.2006 0.00000
619 13.2021 0.00000
620 13.2276 0.00000
621 13.2281 0.00000
622 13.2511 0.00000
623 13.2922 0.00000
624 13.3717 0.00000
625 13.4291 0.00000
626 13.4579 0.00000
627 13.4759 0.00000
628 13.4765 0.00000
629 13.5142 0.00000
630 13.5971 0.00000
631 13.5980 0.00000
632 13.6764 0.00000
633 13.6768 0.00000
634 13.6984 0.00000
635 13.7122 0.00000
636 13.7130 0.00000
637 13.7504 0.00000
638 13.7590 0.00000
639 13.8798 0.00000
640 13.9220 0.00000
641 13.9222 0.00000
642 13.9273 0.00000
643 13.9570 0.00000
644 13.9860 0.00000
645 13.9982 0.00000
646 13.9987 0.00000
647 14.0372 0.00000
648 14.1363 0.00000
649 14.1369 0.00000
650 14.1417 0.00000
651 14.1928 0.00000
652 14.2226 0.00000
653 14.2233 0.00000
654 14.2417 0.00000
655 14.2423 0.00000
656 14.2708 0.00000
657 14.3367 0.00000
658 14.3807 0.00000
659 14.3809 0.00000
660 14.3810 0.00000
661 14.3875 0.00000
662 14.4353 0.00000
663 14.4360 0.00000
664 14.4502 0.00000
665 14.4919 0.00000
666 14.5482 0.00000
667 14.5523 0.00000
668 14.5531 0.00000
669 14.5861 0.00000
670 14.6511 0.00000
671 14.6658 0.00000
672 14.6839 0.00000
673 14.6844 0.00000
674 14.7122 0.00000
675 14.8179 0.00000
676 14.8189 0.00000
677 14.8567 0.00000
678 14.9282 0.00000
679 14.9346 0.00000
680 14.9516 0.00000
681 14.9623 0.00000
682 14.9797 0.00000
683 14.9806 0.00000
684 15.0632 0.00000
685 15.0638 0.00000
686 15.1605 0.00000
687 15.1614 0.00000
688 15.1704 0.00000
689 15.1887 0.00000
690 15.1999 0.00000
691 15.2004 0.00000
692 15.2479 0.00000
693 15.2538 0.00000
694 15.2781 0.00000
695 15.2787 0.00000
696 15.3311 0.00000
697 15.4074 0.00000
698 15.4080 0.00000
699 15.4649 0.00000
700 15.4677 0.00000
701 15.4838 0.00000
702 15.4843 0.00000
703 15.5090 0.00000
704 15.6049 0.00000
705 15.6180 0.00000
706 15.6189 0.00000
707 15.6576 0.00000
708 15.6579 0.00000
709 15.6953 0.00000
710 15.7388 0.00000
711 15.7551 0.00000
712 15.7559 0.00000
713 15.7732 0.00000
714 15.7738 0.00000
715 15.8074 0.00000
716 15.8616 0.00000
717 15.9310 0.00000
718 15.9313 0.00000
719 15.9386 0.00000
720 15.9806 0.00000
721 15.9941 0.00000
722 16.0137 0.00000
723 16.0626 0.00000
724 16.0635 0.00000
725 16.0655 0.00000
726 16.0709 0.00000
727 16.0711 0.00000
728 16.0800 0.00000
729 16.1403 0.00000
730 16.1640 0.00000
731 16.1890 0.00000
732 16.1903 0.00000
733 16.2212 0.00000
734 16.2714 0.00000
735 16.2845 0.00000
736 16.3420 0.00000
737 16.3425 0.00000
738 16.3467 0.00000
739 16.3907 0.00000
740 16.4267 0.00000
741 16.4280 0.00000
742 16.4791 0.00000
743 16.4795 0.00000
744 16.4897 0.00000
745 16.5917 0.00000
746 16.6253 0.00000
747 16.6264 0.00000
748 16.6265 0.00000
749 16.6278 0.00000
750 16.6493 0.00000
751 16.6833 0.00000
752 16.7361 0.00000
753 16.7897 0.00000
754 16.8132 0.00000
755 16.8136 0.00000
756 16.8199 0.00000
757 16.8202 0.00000
758 16.8597 0.00000
759 16.9121 0.00000
760 16.9128 0.00000
761 16.9339 0.00000
762 16.9590 0.00000
763 16.9603 0.00000
764 16.9775 0.00000
765 17.0295 0.00000
766 17.0492 0.00000
767 17.0908 0.00000
768 17.1047 0.00000
769 17.1411 0.00000
770 17.1423 0.00000
771 17.2244 0.00000
772 17.2608 0.00000
773 17.2615 0.00000
774 17.2682 0.00000
775 17.3037 0.00000
776 17.3141 0.00000
777 17.3146 0.00000
778 17.4196 0.00000
779 17.4279 0.00000
780 17.4648 0.00000
781 17.4902 0.00000
782 17.4909 0.00000
783 17.4950 0.00000
784 17.5068 0.00000
785 17.5079 0.00000
786 17.5623 0.00000
787 17.5776 0.00000
788 17.6073 0.00000
789 17.6075 0.00000
790 17.6353 0.00000
791 17.6547 0.00000
792 17.6552 0.00000
793 17.7156 0.00000
794 17.7853 0.00000
795 17.7960 0.00000
796 17.7964 0.00000
797 17.8311 0.00000
798 17.8596 0.00000
799 17.9141 0.00000
800 17.9164 0.00000
801 17.9169 0.00000
802 17.9623 0.00000
803 17.9627 0.00000
804 17.9777 0.00000
805 18.0185 0.00000
806 18.0739 0.00000
807 18.0837 0.00000
808 18.0841 0.00000
809 18.0889 0.00000
810 18.0904 0.00000
811 18.0909 0.00000
812 18.1652 0.00000
813 18.1912 0.00000
814 18.2063 0.00000
815 18.2228 0.00000
816 18.2234 0.00000
817 18.2664 0.00000
818 18.3357 0.00000
819 18.3368 0.00000
820 18.3611 0.00000
821 18.3670 0.00000
822 18.4336 0.00000
823 18.4419 0.00000
824 18.4889 0.00000
825 18.4893 0.00000
826 18.4950 0.00000
827 18.5261 0.00000
828 18.5270 0.00000
829 18.5460 0.00000
830 18.6093 0.00000
831 18.6149 0.00000
832 18.6162 0.00000
833 18.6274 0.00000
834 18.6288 0.00000
835 18.6727 0.00000
836 18.6835 0.00000
837 18.7122 0.00000
838 18.7133 0.00000
839 18.7492 0.00000
840 18.7898 0.00000
841 18.8046 0.00000
842 18.8127 0.00000
843 18.8131 0.00000
844 18.8185 0.00000
845 18.8246 0.00000
846 18.8255 0.00000
847 18.9046 0.00000
848 18.9354 0.00000
849 18.9504 0.00000
850 18.9509 0.00000
851 18.9573 0.00000
852 18.9577 0.00000
853 18.9708 0.00000
854 19.0590 0.00000
855 19.0936 0.00000
856 19.0938 0.00000
857 19.1444 0.00000
858 19.1460 0.00000
859 19.1807 0.00000
860 19.1815 0.00000
861 19.1864 0.00000
862 19.2203 0.00000
863 19.2911 0.00000
864 19.2975 0.00000
865 19.2983 0.00000
866 19.2999 0.00000
867 19.3014 0.00000
868 19.3018 0.00000
869 19.3398 0.00000
870 19.3568 0.00000
871 19.4148 0.00000
872 19.4207 0.00000
873 19.4226 0.00000
874 19.4719 0.00000
875 19.4731 0.00000
876 19.5016 0.00000
877 19.5160 0.00000
878 19.5625 0.00000
879 19.5626 0.00000
880 19.5841 0.00000
881 19.5996 0.00000
882 19.6650 0.00000
883 19.6944 0.00000
884 19.6949 0.00000
885 19.6955 0.00000
886 19.6958 0.00000
887 19.7973 0.00000
888 19.8235 0.00000
889 19.8237 0.00000
890 19.8299 0.00000
891 19.8928 0.00000
892 19.8936 0.00000
893 19.9029 0.00000
894 19.9407 0.00000
895 19.9411 0.00000
896 19.9644 0.00000
897 19.9648 0.00000
898 20.0075 0.00000
899 20.0436 0.00000
900 20.0538 0.00000
901 20.0709 0.00000
902 20.0883 0.00000
903 20.0886 0.00000
904 20.1958 0.00000
905 20.1967 0.00000
906 20.2195 0.00000
907 20.2346 0.00000
908 20.2559 0.00000
909 20.2570 0.00000
910 20.3041 0.00000
911 20.3541 0.00000
912 20.3549 0.00000
913 20.3595 0.00000
914 20.3750 0.00000
915 20.3755 0.00000
916 20.3997 0.00000
917 20.4363 0.00000
918 20.4876 0.00000
919 20.4884 0.00000
920 20.4988 0.00000
921 20.5081 0.00000
922 20.5310 0.00000
923 20.6030 0.00000
924 20.6083 0.00000
925 20.6086 0.00000
926 20.6300 0.00000
927 20.6546 0.00000
928 20.6589 0.00000
929 20.7201 0.00000
930 20.7211 0.00000
931 20.7336 0.00000
932 20.7346 0.00000
933 20.8110 0.00000
934 20.8626 0.00000
935 20.8780 0.00000
936 20.8787 0.00000
937 20.8878 0.00000
938 20.9090 0.00000
939 20.9097 0.00000
940 20.9923 0.00000
941 20.9928 0.00000
942 20.9932 0.00000
943 21.0410 0.00000
944 21.0906 0.00000
945 21.1067 0.00000
946 21.1289 0.00000
947 21.1298 0.00000
948 21.1394 0.00000
949 21.1407 0.00000
950 21.2275 0.00000
951 21.2336 0.00000
952 21.2372 0.00000
953 21.2382 0.00000
954 21.2546 0.00000
955 21.2765 0.00000
956 21.3519 0.00000
957 21.3525 0.00000
958 21.3574 0.00000
959 21.3582 0.00000
960 21.3758 0.00000
961 21.4397 0.00000
962 21.4529 0.00000
963 21.4641 0.00000
964 21.5280 0.00000
965 21.5773 0.00000
966 21.6012 0.00000
967 21.6017 0.00000
968 21.6081 0.00000
969 21.6314 0.00000
970 21.6328 0.00000
971 21.6613 0.00000
972 21.6824 0.00000
973 21.6857 0.00000
974 21.7336 0.00000
975 21.7347 0.00000
976 21.7846 0.00000
977 21.8351 0.00000
978 21.8878 0.00000
979 21.8886 0.00000
980 21.9104 0.00000
981 21.9114 0.00000
982 21.9634 0.00000
983 21.9638 0.00000
984 22.0057 0.00000
985 22.0305 0.00000
986 22.0351 0.00000
987 22.0634 0.00000
988 22.0640 0.00000
989 22.0865 0.00000
990 22.0942 0.00000
991 22.1483 0.00000
992 22.1494 0.00000
993 22.1622 0.00000
994 22.1628 0.00000
995 22.2007 0.00000
996 22.2131 0.00000
997 22.2572 0.00000
998 22.2587 0.00000
999 22.2596 0.00000
1000 22.2789 0.00000
1001 22.2797 0.00000
1002 22.3060 0.00000
1003 22.3095 0.00000
1004 22.3754 0.00000
1005 22.3759 0.00000
1006 22.4294 0.00000
1007 22.4660 0.00000
1008 22.4824 0.00000
1009 22.4828 0.00000
1010 22.4847 0.00000
1011 22.4854 0.00000
1012 22.4926 0.00000
1013 22.5538 0.00000
1014 22.5546 0.00000
1015 22.6164 0.00000
1016 22.6266 0.00000
1017 22.6938 0.00000
1018 22.7086 0.00000
1019 22.7089 0.00000
1020 22.7103 0.00000
1021 22.7103 0.00000
1022 22.7499 0.00000
1023 22.7615 0.00000
1024 22.8182 0.00000
1025 22.8190 0.00000
1026 22.8193 0.00000
1027 22.8476 0.00000
1028 22.9108 0.00000
1029 22.9722 0.00000
1030 22.9730 0.00000
1031 22.9748 0.00000
1032 22.9795 0.00000
1033 22.9798 0.00000
1034 23.0295 0.00000
1035 23.0861 0.00000
1036 23.0893 0.00000
1037 23.1398 0.00000
1038 23.1402 0.00000
1039 23.1613 0.00000
1040 23.1616 0.00000
1041 23.1732 0.00000
1042 23.1740 0.00000
1043 23.1994 0.00000
1044 23.2305 0.00000
1045 23.2785 0.00000
1046 23.3033 0.00000
1047 23.3047 0.00000
1048 23.3278 0.00000
1049 23.3288 0.00000
1050 23.3396 0.00000
1051 23.3570 0.00000
1052 23.4147 0.00000
1053 23.4159 0.00000
1054 23.4854 0.00000
1055 23.5134 0.00000
1056 23.5459 0.00000
1057 23.5469 0.00000
1058 23.5515 0.00000
1059 23.5526 0.00000
1060 23.6067 0.00000
1061 23.6234 0.00000
1062 23.6517 0.00000
1063 23.6526 0.00000
1064 23.6695 0.00000
1065 23.6706 0.00000
1066 23.7201 0.00000
1067 23.7219 0.00000
1068 23.7653 0.00000
1069 23.7858 0.00000
1070 23.7866 0.00000
1071 23.7947 0.00000
1072 23.8074 0.00000
1073 23.8361 0.00000
1074 23.8400 0.00000
1075 23.8447 0.00000
1076 23.8513 0.00000
1077 23.9124 0.00000
1078 23.9183 0.00000
1079 23.9361 0.00000
1080 23.9379 0.00000
1081 23.9403 0.00000
1082 23.9708 0.00000
1083 24.0607 0.00000
1084 24.0648 0.00000
1085 24.0662 0.00000
1086 24.0695 0.00000
1087 24.1033 0.00000
1088 24.1352 0.00000
1089 24.1856 0.00000
1090 24.2094 0.00000
1091 24.2124 0.00000
1092 24.2602 0.00000
1093 24.2698 0.00000
1094 24.2784 0.00000
1095 24.2832 0.00000
1096 24.3058 0.00000
1097 24.3239 0.00000
1098 24.3313 0.00000
1099 24.3391 0.00000
1100 24.3828 0.00000
1101 24.4124 0.00000
1102 24.4318 0.00000
1103 24.4475 0.00000
1104 24.4596 0.00000
1105 24.4928 0.00000
1106 24.5169 0.00000
1107 24.5243 0.00000
1108 24.5420 0.00000
1109 24.5510 0.00000
1110 24.5656 0.00000
1111 24.5765 0.00000
1112 24.6466 0.00000
1113 24.6504 0.00000
1114 24.6649 0.00000
1115 24.6756 0.00000
1116 24.7070 0.00000
1117 24.7295 0.00000
1118 24.7466 0.00000
1119 24.7710 0.00000
1120 24.7982 0.00000
1121 24.8089 0.00000
1122 24.8218 0.00000
1123 24.8314 0.00000
1124 24.8533 0.00000
1125 24.8704 0.00000
1126 24.8885 0.00000
1127 24.9212 0.00000
1128 24.9791 0.00000
1129 24.9972 0.00000
1130 25.0190 0.00000
1131 25.0446 0.00000
1132 25.0600 0.00000
1133 25.0800 0.00000
1134 25.1049 0.00000
1135 25.1213 0.00000
1136 25.1733 0.00000
1137 25.2004 0.00000
1138 25.2222 0.00000
1139 25.2464 0.00000
1140 25.2604 0.00000
1141 25.3068 0.00000
1142 25.3286 0.00000
1143 25.3678 0.00000
1144 25.4012 0.00000
1145 25.4346 0.00000
1146 25.4507 0.00000
1147 25.4925 0.00000
1148 25.5498 0.00000
1149 25.5723 0.00000
1150 25.5818 0.00000
1151 25.6400 0.00000
1152 25.6600 0.00000
k-point 3 : 0.0000 0.3333 0.0000
band No. band energies occupation
1 -76.4224 1.00000
2 -76.4222 1.00000
3 -76.4222 1.00000
4 -76.4220 1.00000
5 -76.4214 1.00000
6 -76.4212 1.00000
7 -76.4208 1.00000
8 -76.4206 1.00000
9 -40.7754 1.00000
10 -40.7748 1.00000
11 -40.7724 1.00000
12 -40.7721 1.00000
13 -40.7707 1.00000
14 -40.7703 1.00000
15 -40.7696 1.00000
16 -40.7693 1.00000
17 -40.7554 1.00000
18 -40.7536 1.00000
19 -40.7531 1.00000
20 -40.7475 1.00000
21 -40.7436 1.00000
22 -40.7430 1.00000
23 -40.7424 1.00000
24 -40.7377 1.00000
25 -40.6999 1.00000
26 -40.6991 1.00000
27 -40.6978 1.00000
28 -40.6955 1.00000
29 -40.6908 1.00000
30 -40.6898 1.00000
31 -40.6894 1.00000
32 -40.6874 1.00000
33 -24.0568 1.00000
34 -24.0446 1.00000
35 -24.0434 1.00000
36 -24.0414 1.00000
37 -24.0386 1.00000
38 -24.0373 1.00000
39 -24.0345 1.00000
40 -24.0342 1.00000
41 -24.0053 1.00000
42 -23.9916 1.00000
43 -23.9896 1.00000
44 -23.9876 1.00000
45 -23.9854 1.00000
46 -23.9834 1.00000
47 -23.9807 1.00000
48 -23.9801 1.00000
49 -23.9163 1.00000
50 -23.9152 1.00000
51 -23.8935 1.00000
52 -23.8852 1.00000
53 -23.8563 1.00000
54 -23.8555 1.00000
55 -23.8367 1.00000
56 -23.8302 1.00000
57 -23.8284 1.00000
58 -23.8277 1.00000
59 -23.8259 1.00000
60 -23.8257 1.00000
61 -23.8241 1.00000
62 -23.8229 1.00000
63 -23.8221 1.00000
64 -23.8176 1.00000
65 -23.7930 1.00000
66 -23.7916 1.00000
67 -23.7819 1.00000
68 -23.7799 1.00000
69 -23.7768 1.00000
70 -23.7723 1.00000
71 -23.7714 1.00000
72 -23.7696 1.00000
73 -23.7662 1.00000
74 -23.7653 1.00000
75 -23.7645 1.00000
76 -23.7626 1.00000
77 -23.7602 1.00000
78 -23.7584 1.00000
79 -23.7579 1.00000
80 -23.7573 1.00000
81 -23.7483 1.00000
82 -23.7482 1.00000
83 -23.7320 1.00000
84 -23.7269 1.00000
85 -23.7266 1.00000
86 -23.7255 1.00000
87 -23.7219 1.00000
88 -23.7182 1.00000
89 -23.7135 1.00000
90 -23.7131 1.00000
91 -23.7118 1.00000
92 -23.7100 1.00000
93 -23.7096 1.00000
94 -23.7063 1.00000
95 -23.6924 1.00000
96 -23.6811 1.00000
97 -23.6731 1.00000
98 -23.6629 1.00000
99 -23.6611 1.00000
100 -23.6545 1.00000
101 -23.6373 1.00000
102 -23.6362 1.00000
103 -23.6308 1.00000
104 -23.6302 1.00000
105 -23.6237 1.00000
106 -23.6217 1.00000
107 -23.6152 1.00000
108 -23.6137 1.00000
109 -23.5937 1.00000
110 -23.5865 1.00000
111 -23.5849 1.00000
112 -23.5677 1.00000
113 -20.2653 1.00000
114 -20.0695 1.00000
115 -19.9291 1.00000
116 -19.8070 1.00000
117 -19.7294 1.00000
118 -19.6618 1.00000
119 -19.5176 1.00000
120 -19.4698 1.00000
121 -19.4297 1.00000
122 -19.3089 1.00000
123 -19.3067 1.00000
124 -19.2907 1.00000
125 -19.2690 1.00000
126 -19.2515 1.00000
127 -19.2149 1.00000
128 -19.1995 1.00000
129 -18.9357 1.00000
130 -18.9254 1.00000
131 -18.9035 1.00000
132 -18.9023 1.00000
133 -18.8843 1.00000
134 -18.8075 1.00000
135 -18.7243 1.00000
136 -18.7089 1.00000
137 -18.7019 1.00000
138 -18.6312 1.00000
139 -18.5738 1.00000
140 -18.5734 1.00000
141 -18.5430 1.00000
142 -18.5418 1.00000
143 -18.4921 1.00000
144 -18.4733 1.00000
145 -18.3540 1.00000
146 -18.3469 1.00000
147 -18.3429 1.00000
148 -18.3052 1.00000
149 -18.2922 1.00000
150 -18.2901 1.00000
151 -18.2802 1.00000
152 -18.2757 1.00000
153 -17.9029 1.00000
154 -17.8964 1.00000
155 -17.8843 1.00000
156 -17.8700 1.00000
157 -17.6603 1.00000
158 -17.6432 1.00000
159 -17.6424 1.00000
160 -17.6334 1.00000
161 -11.7233 1.00000
162 -11.6362 1.00000
163 -11.4692 1.00000
164 -11.4476 1.00000
165 -11.4201 1.00000
166 -11.3787 1.00000
167 -11.2110 1.00000
168 -11.1848 1.00000
169 -10.5789 1.00000
170 -10.5155 1.00000
171 -10.4965 1.00000
172 -10.4412 1.00000
173 -10.2599 1.00000
174 -10.2336 1.00000
175 -10.1446 1.00000
176 -10.0868 1.00000
177 -7.4369 1.00000
178 -7.3813 1.00000
179 -7.3154 1.00000
180 -7.2881 1.00000
181 -7.2192 1.00000
182 -7.1947 1.00000
183 -7.1703 1.00000
184 -7.1094 1.00000
185 -7.1005 1.00000
186 -7.0766 1.00000
187 -7.0626 1.00000
188 -6.9641 1.00000
189 -6.9521 1.00000
190 -6.9192 1.00000
191 -6.8324 1.00000
192 -6.7894 1.00000
193 -6.6285 1.00000
194 -6.5846 1.00000
195 -6.5521 1.00000
196 -6.3870 1.00000
197 -6.3479 1.00000
198 -6.3406 1.00000
199 -6.2953 1.00000
200 -6.2803 1.00000
201 -6.2728 1.00000
202 -6.2376 1.00000
203 -6.1995 1.00000
204 -6.1946 1.00000
205 -6.1669 1.00000
206 -6.1428 1.00000
207 -6.0584 1.00000
208 -6.0555 1.00000
209 -6.0251 1.00000
210 -5.9447 1.00000
211 -5.9388 1.00000
212 -5.9362 1.00000
213 -5.8872 1.00000
214 -5.8705 1.00000
215 -5.7153 1.00000
216 -5.6837 1.00000
217 -5.6483 1.00000
218 -5.6297 1.00000
219 -5.6186 1.00000
220 -5.5886 1.00000
221 -5.5743 1.00000
222 -5.5377 1.00000
223 -5.4427 1.00000
224 -5.3884 1.00000
225 -5.3797 1.00000
226 -5.2682 1.00000
227 -5.0941 1.00000
228 -5.0908 1.00000
229 -4.9989 1.00000
230 -4.9231 1.00000
231 -4.9013 1.00000
232 -4.8814 1.00000
233 -4.8732 1.00000
234 -4.8100 1.00000
235 -4.7467 1.00000
236 -4.7338 1.00000
237 -4.7056 1.00000
238 -4.7004 1.00000
239 -4.6430 1.00000
240 -4.6046 1.00000
241 -4.6010 1.00000
242 -4.5754 1.00000
243 -4.4786 1.00000
244 -4.3636 1.00000
245 -4.3452 1.00000
246 -4.3169 1.00000
247 -4.2600 1.00000
248 -4.2402 1.00000
249 -4.0916 1.00000
250 -4.0658 1.00000
251 -4.0564 1.00000
252 -4.0218 1.00000
253 -4.0104 1.00000
254 -4.0068 1.00000
255 -3.9783 1.00000
256 -3.9155 1.00000
257 -3.8664 1.00000
258 -3.8550 1.00000
259 -3.8466 1.00000
260 -3.8060 1.00000
261 -3.7522 1.00000
262 -3.7036 1.00000
263 -3.6858 1.00000
264 -3.6576 1.00000
265 -3.6135 1.00000
266 -3.6026 1.00000
267 -3.5737 1.00000
268 -3.5525 1.00000
269 -3.5520 1.00000
270 -3.4933 1.00000
271 -3.4081 1.00000
272 -3.3976 1.00000
273 -3.3560 1.00000
274 -3.3542 1.00000
275 -3.3031 1.00000
276 -3.2810 1.00000
277 -3.2362 1.00000
278 -3.2118 1.00000
279 -3.2008 1.00000
280 -3.1692 1.00000
281 -3.1394 1.00000
282 -3.1011 1.00000
283 -3.0932 1.00000
284 -3.0817 1.00000
285 -3.0757 1.00000
286 -2.9734 1.00000
287 -2.9285 1.00000
288 -2.9225 1.00000
289 -2.9206 1.00000
290 -2.8505 1.00000
291 -2.8380 1.00000
292 -2.8350 1.00000
293 -2.8309 1.00000
294 -2.8296 1.00000
295 -2.8196 1.00000
296 -2.7617 1.00000
297 -2.7580 1.00000
298 -2.7185 1.00000
299 -2.7049 1.00000
300 -2.6590 1.00000
301 -2.6042 1.00000
302 -2.5923 1.00000
303 -2.5829 1.00000
304 -2.5656 1.00000
305 -2.5505 1.00000
306 -2.5267 1.00000
307 -2.4684 1.00000
308 -2.4183 1.00000
309 -2.3841 1.00000
310 -2.3683 1.00000
311 -2.3410 1.00000
312 -2.3324 1.00000
313 -2.2298 1.00000
314 -2.2289 1.00000
315 -2.2191 1.00000
316 -2.2166 1.00000
317 -2.2069 1.00000
318 -2.1796 1.00000
319 -2.1447 1.00000
320 -2.0376 1.00000
321 0.6989 0.00000
322 0.8710 0.00000
323 0.8726 0.00000
324 0.9521 0.00000
325 0.9846 0.00000
326 1.0300 0.00000
327 1.0933 0.00000
328 1.1078 0.00000
329 1.1473 0.00000
330 1.3171 0.00000
331 1.3366 0.00000
332 1.3846 0.00000
333 1.4084 0.00000
334 1.4420 0.00000
335 1.4921 0.00000
336 1.5103 0.00000
337 1.5210 0.00000
338 1.5525 0.00000
339 1.6676 0.00000
340 1.6678 0.00000
341 1.8883 0.00000
342 1.9103 0.00000
343 1.9398 0.00000
344 1.9607 0.00000
345 2.0209 0.00000
346 2.1170 0.00000
347 2.1197 0.00000
348 2.1541 0.00000
349 2.1687 0.00000
350 2.2014 0.00000
351 2.2162 0.00000
352 2.2847 0.00000
353 2.4025 0.00000
354 2.5692 0.00000
355 2.6236 0.00000
356 2.6683 0.00000
357 2.7882 0.00000
358 2.8219 0.00000
359 2.8392 0.00000
360 2.9441 0.00000
361 2.9625 0.00000
362 2.9775 0.00000
363 2.9887 0.00000
364 3.0482 0.00000
365 3.0848 0.00000
366 3.2168 0.00000
367 3.2376 0.00000
368 3.3601 0.00000
369 3.4881 0.00000
370 3.5071 0.00000
371 3.5368 0.00000
372 3.6055 0.00000
373 3.6949 0.00000
374 3.7650 0.00000
375 3.7960 0.00000
376 3.8081 0.00000
377 3.8207 0.00000
378 3.9309 0.00000
379 3.9486 0.00000
380 4.0956 0.00000
381 4.1093 0.00000
382 4.1257 0.00000
383 4.1779 0.00000
384 4.2152 0.00000
385 4.2835 0.00000
386 4.3042 0.00000
387 4.3147 0.00000
388 4.3395 0.00000
389 4.4022 0.00000
390 4.4555 0.00000
391 4.5342 0.00000
392 4.5788 0.00000
393 4.6549 0.00000
394 4.7918 0.00000
395 4.8474 0.00000
396 4.8569 0.00000
397 4.8581 0.00000
398 4.8805 0.00000
399 4.8823 0.00000
400 4.8868 0.00000
401 4.9945 0.00000
402 5.0079 0.00000
403 5.0247 0.00000
404 5.0549 0.00000
405 5.0947 0.00000
406 5.1993 0.00000
407 5.2355 0.00000
408 5.2430 0.00000
409 5.3085 0.00000
410 5.3492 0.00000
411 5.3610 0.00000
412 5.3791 0.00000
413 5.4298 0.00000
414 5.4535 0.00000
415 5.5291 0.00000
416 5.5670 0.00000
417 5.5845 0.00000
418 5.6614 0.00000
419 5.6835 0.00000
420 5.7041 0.00000
421 5.8062 0.00000
422 5.8512 0.00000
423 5.8909 0.00000
424 5.9181 0.00000
425 5.9216 0.00000
426 5.9916 0.00000
427 5.9983 0.00000
428 6.0248 0.00000
429 6.1634 0.00000
430 6.2101 0.00000
431 6.2398 0.00000
432 6.6073 0.00000
433 6.7102 0.00000
434 6.7316 0.00000
435 6.7493 0.00000
436 6.8303 0.00000
437 6.8583 0.00000
438 6.9141 0.00000
439 6.9318 0.00000
440 6.9548 0.00000
441 6.9804 0.00000
442 7.1447 0.00000
443 7.1669 0.00000
444 7.1861 0.00000
445 7.1878 0.00000
446 7.3392 0.00000
447 7.4355 0.00000
448 7.4404 0.00000
449 7.5451 0.00000
450 7.5808 0.00000
451 7.6361 0.00000
452 7.7286 0.00000
453 7.7483 0.00000
454 7.7532 0.00000
455 7.8991 0.00000
456 7.9626 0.00000
457 7.9654 0.00000
458 8.0168 0.00000
459 8.0173 0.00000
460 8.0475 0.00000
461 8.0737 0.00000
462 8.1342 0.00000
463 8.1928 0.00000
464 8.2239 0.00000
465 8.2703 0.00000
466 8.2918 0.00000
467 8.3335 0.00000
468 8.3676 0.00000
469 8.4199 0.00000
470 8.4721 0.00000
471 8.4743 0.00000
472 8.5179 0.00000
473 8.5303 0.00000
474 8.6475 0.00000
475 8.6818 0.00000
476 8.7069 0.00000
477 8.8511 0.00000
478 8.8516 0.00000
479 8.8519 0.00000
480 8.9675 0.00000
481 9.0312 0.00000
482 9.0582 0.00000
483 9.1059 0.00000
484 9.1195 0.00000
485 9.1243 0.00000
486 9.1710 0.00000
487 9.2091 0.00000
488 9.2333 0.00000
489 9.2396 0.00000
490 9.2871 0.00000
491 9.3541 0.00000
492 9.3786 0.00000
493 9.4385 0.00000
494 9.4930 0.00000
495 9.5187 0.00000
496 9.5237 0.00000
497 9.5284 0.00000
498 9.5341 0.00000
499 9.5631 0.00000
500 9.6106 0.00000
501 9.6376 0.00000
502 9.6510 0.00000
503 9.7257 0.00000
504 9.7469 0.00000
505 9.7634 0.00000
506 9.8089 0.00000
507 9.8098 0.00000
508 9.8382 0.00000
509 9.8927 0.00000
510 9.9001 0.00000
511 9.9777 0.00000
512 9.9819 0.00000
513 10.0184 0.00000
514 10.0481 0.00000
515 10.0678 0.00000
516 10.0815 0.00000
517 10.0833 0.00000
518 10.0912 0.00000
519 10.1302 0.00000
520 10.1854 0.00000
521 10.2481 0.00000
522 10.3041 0.00000
523 10.3083 0.00000
524 10.3296 0.00000
525 10.3535 0.00000
526 10.3953 0.00000
527 10.3959 0.00000
528 10.4181 0.00000
529 10.4758 0.00000
530 10.5128 0.00000
531 10.5462 0.00000
532 10.5552 0.00000
533 10.6511 0.00000
534 10.6640 0.00000
535 10.7323 0.00000
536 10.7867 0.00000
537 10.8174 0.00000
538 10.8473 0.00000
539 10.8927 0.00000
540 10.9112 0.00000
541 10.9282 0.00000
542 10.9520 0.00000
543 10.9674 0.00000
544 10.9742 0.00000
545 10.9990 0.00000
546 11.0362 0.00000
547 11.0402 0.00000
548 11.1212 0.00000
549 11.1817 0.00000
550 11.2241 0.00000
551 11.2525 0.00000
552 11.2649 0.00000
553 11.3013 0.00000
554 11.3336 0.00000
555 11.3382 0.00000
556 11.3534 0.00000
557 11.3637 0.00000
558 11.3774 0.00000
559 11.3814 0.00000
560 11.5190 0.00000
561 11.5694 0.00000
562 11.5720 0.00000
563 11.6226 0.00000
564 11.6673 0.00000
565 11.6720 0.00000
566 11.7141 0.00000
567 11.7233 0.00000
568 11.7245 0.00000
569 11.7278 0.00000
570 11.7762 0.00000
571 11.7867 0.00000
572 11.8740 0.00000
573 11.8957 0.00000
574 11.9017 0.00000
575 11.9854 0.00000
576 12.0172 0.00000
577 12.0253 0.00000
578 12.0401 0.00000
579 12.0462 0.00000
580 12.1774 0.00000
581 12.2352 0.00000
582 12.2597 0.00000
583 12.2654 0.00000
584 12.2735 0.00000
585 12.3058 0.00000
586 12.3138 0.00000
587 12.3513 0.00000
588 12.3746 0.00000
589 12.4014 0.00000
590 12.4151 0.00000
591 12.4395 0.00000
592 12.5045 0.00000
593 12.5264 0.00000
594 12.5461 0.00000
595 12.5706 0.00000
596 12.6170 0.00000
597 12.6245 0.00000
598 12.6262 0.00000
599 12.6482 0.00000
600 12.6774 0.00000
601 12.7525 0.00000
602 12.7601 0.00000
603 12.7735 0.00000
604 12.8026 0.00000
605 12.8492 0.00000
606 12.8839 0.00000
607 12.8913 0.00000
608 12.9115 0.00000
609 12.9241 0.00000
610 12.9326 0.00000
611 12.9727 0.00000
612 13.0425 0.00000
613 13.0787 0.00000
614 13.1427 0.00000
615 13.1505 0.00000
616 13.2170 0.00000
617 13.2211 0.00000
618 13.2392 0.00000
619 13.2567 0.00000
620 13.2795 0.00000
621 13.2968 0.00000
622 13.3178 0.00000
623 13.3473 0.00000
624 13.3660 0.00000
625 13.4452 0.00000
626 13.4694 0.00000
627 13.5049 0.00000
628 13.5307 0.00000
629 13.5335 0.00000
630 13.5618 0.00000
631 13.5957 0.00000
632 13.5979 0.00000
633 13.6296 0.00000
634 13.7412 0.00000
635 13.7515 0.00000
636 13.7630 0.00000
637 13.7708 0.00000
638 13.7883 0.00000
639 13.8034 0.00000
640 13.8138 0.00000
641 13.8588 0.00000
642 13.8673 0.00000
643 13.9057 0.00000
644 13.9171 0.00000
645 13.9480 0.00000
646 13.9516 0.00000
647 13.9558 0.00000
648 13.9869 0.00000
649 13.9955 0.00000
650 14.0869 0.00000
651 14.1452 0.00000
652 14.1853 0.00000
653 14.2384 0.00000
654 14.2394 0.00000
655 14.2429 0.00000
656 14.2636 0.00000
657 14.3348 0.00000
658 14.3688 0.00000
659 14.3729 0.00000
660 14.3782 0.00000
661 14.3789 0.00000
662 14.4689 0.00000
663 14.4694 0.00000
664 14.5014 0.00000
665 14.5125 0.00000
666 14.5430 0.00000
667 14.5565 0.00000
668 14.5599 0.00000
669 14.6010 0.00000
670 14.6519 0.00000
671 14.6604 0.00000
672 14.6774 0.00000
673 14.7099 0.00000
674 14.7166 0.00000
675 14.7853 0.00000
676 14.7877 0.00000
677 14.8282 0.00000
678 14.8290 0.00000
679 14.8377 0.00000
680 14.8419 0.00000
681 14.8660 0.00000
682 14.9327 0.00000
683 14.9696 0.00000
684 14.9826 0.00000
685 14.9993 0.00000
686 15.0167 0.00000
687 15.0556 0.00000
688 15.0776 0.00000
689 15.1258 0.00000
690 15.1636 0.00000
691 15.1875 0.00000
692 15.1945 0.00000
693 15.2339 0.00000
694 15.3309 0.00000
695 15.3379 0.00000
696 15.3392 0.00000
697 15.3514 0.00000
698 15.3533 0.00000
699 15.3544 0.00000
700 15.3898 0.00000
701 15.4734 0.00000
702 15.5207 0.00000
703 15.5533 0.00000
704 15.6493 0.00000
705 15.6611 0.00000
706 15.6737 0.00000
707 15.6874 0.00000
708 15.6951 0.00000
709 15.7077 0.00000
710 15.7401 0.00000
711 15.7433 0.00000
712 15.7460 0.00000
713 15.7797 0.00000
714 15.7853 0.00000
715 15.8167 0.00000
716 15.8388 0.00000
717 15.8400 0.00000
718 15.8505 0.00000
719 15.8618 0.00000
720 15.8959 0.00000
721 15.9442 0.00000
722 15.9564 0.00000
723 16.0093 0.00000
724 16.0310 0.00000
725 16.0329 0.00000
726 16.0404 0.00000
727 16.0650 0.00000
728 16.1081 0.00000
729 16.1565 0.00000
730 16.1651 0.00000
731 16.2085 0.00000
732 16.2124 0.00000
733 16.2341 0.00000
734 16.2466 0.00000
735 16.2615 0.00000
736 16.2810 0.00000
737 16.3042 0.00000
738 16.3224 0.00000
739 16.3953 0.00000
740 16.4315 0.00000
741 16.4331 0.00000
742 16.4432 0.00000
743 16.4609 0.00000
744 16.5155 0.00000
745 16.5485 0.00000
746 16.5845 0.00000
747 16.6069 0.00000
748 16.6319 0.00000
749 16.6545 0.00000
750 16.6576 0.00000
751 16.6698 0.00000
752 16.6802 0.00000
753 16.7025 0.00000
754 16.7333 0.00000
755 16.7379 0.00000
756 16.8029 0.00000
757 16.8072 0.00000
758 16.8119 0.00000
759 16.8179 0.00000
760 16.8208 0.00000
761 16.9518 0.00000
762 16.9536 0.00000
763 16.9776 0.00000
764 17.0216 0.00000
765 17.0830 0.00000
766 17.0964 0.00000
767 17.1139 0.00000
768 17.1488 0.00000
769 17.1631 0.00000
770 17.1787 0.00000
771 17.1832 0.00000
772 17.1971 0.00000
773 17.2012 0.00000
774 17.2314 0.00000
775 17.2544 0.00000
776 17.2719 0.00000
777 17.2977 0.00000
778 17.3562 0.00000
779 17.3684 0.00000
780 17.4290 0.00000
781 17.4398 0.00000
782 17.4688 0.00000
783 17.4827 0.00000
784 17.5245 0.00000
785 17.5307 0.00000
786 17.5436 0.00000
787 17.5539 0.00000
788 17.5895 0.00000
789 17.6140 0.00000
790 17.6365 0.00000
791 17.6867 0.00000
792 17.7163 0.00000
793 17.7507 0.00000
794 17.7517 0.00000
795 17.7948 0.00000
796 17.7987 0.00000
797 17.8103 0.00000
798 17.8374 0.00000
799 17.8603 0.00000
800 17.8728 0.00000
801 17.8823 0.00000
802 17.9047 0.00000
803 17.9184 0.00000
804 17.9924 0.00000
805 18.0291 0.00000
806 18.0671 0.00000
807 18.0781 0.00000
808 18.1073 0.00000
809 18.1144 0.00000
810 18.1290 0.00000
811 18.1571 0.00000
812 18.1681 0.00000
813 18.1872 0.00000
814 18.1882 0.00000
815 18.1951 0.00000
816 18.2185 0.00000
817 18.2431 0.00000
818 18.2764 0.00000
819 18.3160 0.00000
820 18.3288 0.00000
821 18.3400 0.00000
822 18.3846 0.00000
823 18.3855 0.00000
824 18.3918 0.00000
825 18.4049 0.00000
826 18.4360 0.00000
827 18.4486 0.00000
828 18.4555 0.00000
829 18.5246 0.00000
830 18.5293 0.00000
831 18.5983 0.00000
832 18.6147 0.00000
833 18.6482 0.00000
834 18.6716 0.00000
835 18.6797 0.00000
836 18.6914 0.00000
837 18.7088 0.00000
838 18.7245 0.00000
839 18.7810 0.00000
840 18.8007 0.00000
841 18.8058 0.00000
842 18.8609 0.00000
843 18.8633 0.00000
844 18.8891 0.00000
845 18.8901 0.00000
846 18.9130 0.00000
847 18.9587 0.00000
848 18.9593 0.00000
849 19.0197 0.00000
850 19.0199 0.00000
851 19.0340 0.00000
852 19.0605 0.00000
853 19.0635 0.00000
854 19.0712 0.00000
855 19.0780 0.00000
856 19.0897 0.00000
857 19.1053 0.00000
858 19.1092 0.00000
859 19.1477 0.00000
860 19.1648 0.00000
861 19.1769 0.00000
862 19.2622 0.00000
863 19.2787 0.00000
864 19.3016 0.00000
865 19.3064 0.00000
866 19.3271 0.00000
867 19.3298 0.00000
868 19.3327 0.00000
869 19.4199 0.00000
870 19.4663 0.00000
871 19.4754 0.00000
872 19.4809 0.00000
873 19.4869 0.00000
874 19.5185 0.00000
875 19.5258 0.00000
876 19.5709 0.00000
877 19.5736 0.00000
878 19.5800 0.00000
879 19.6013 0.00000
880 19.6437 0.00000
881 19.6685 0.00000
882 19.6854 0.00000
883 19.7198 0.00000
884 19.7207 0.00000
885 19.7307 0.00000
886 19.7542 0.00000
887 19.7772 0.00000
888 19.7985 0.00000
889 19.7991 0.00000
890 19.8595 0.00000
891 19.8975 0.00000
892 19.9273 0.00000
893 19.9515 0.00000
894 19.9743 0.00000
895 19.9803 0.00000
896 20.0704 0.00000
897 20.0735 0.00000
898 20.0825 0.00000
899 20.1153 0.00000
900 20.1293 0.00000
901 20.1834 0.00000
902 20.1841 0.00000
903 20.1865 0.00000
904 20.2448 0.00000
905 20.2487 0.00000
906 20.2491 0.00000
907 20.2545 0.00000
908 20.2603 0.00000
909 20.2767 0.00000
910 20.3141 0.00000
911 20.3162 0.00000
912 20.3407 0.00000
913 20.3538 0.00000
914 20.3820 0.00000
915 20.3851 0.00000
916 20.3931 0.00000
917 20.4367 0.00000
918 20.4565 0.00000
919 20.4980 0.00000
920 20.5128 0.00000
921 20.5281 0.00000
922 20.5491 0.00000
923 20.5504 0.00000
924 20.5710 0.00000
925 20.6229 0.00000
926 20.6541 0.00000
927 20.6599 0.00000
928 20.7703 0.00000
929 20.7759 0.00000
930 20.7795 0.00000
931 20.7900 0.00000
932 20.7973 0.00000
933 20.8028 0.00000
934 20.8675 0.00000
935 20.8809 0.00000
936 20.8982 0.00000
937 20.9355 0.00000
938 20.9359 0.00000
939 20.9758 0.00000
940 21.0171 0.00000
941 21.0354 0.00000
942 21.0382 0.00000
943 21.0751 0.00000
944 21.0863 0.00000
945 21.1458 0.00000
946 21.1530 0.00000
947 21.1665 0.00000
948 21.1826 0.00000
949 21.1877 0.00000
950 21.2241 0.00000
951 21.3015 0.00000
952 21.3025 0.00000
953 21.3042 0.00000
954 21.3762 0.00000
955 21.3844 0.00000
956 21.4097 0.00000
957 21.4187 0.00000
958 21.4481 0.00000
959 21.4535 0.00000
960 21.4846 0.00000
961 21.4971 0.00000
962 21.5007 0.00000
963 21.5102 0.00000
964 21.5179 0.00000
965 21.5529 0.00000
966 21.5545 0.00000
967 21.5944 0.00000
968 21.6025 0.00000
969 21.6109 0.00000
970 21.6373 0.00000
971 21.6436 0.00000
972 21.6608 0.00000
973 21.6890 0.00000
974 21.7679 0.00000
975 21.8050 0.00000
976 21.8144 0.00000
977 21.8257 0.00000
978 21.8294 0.00000
979 21.8300 0.00000
980 21.8841 0.00000
981 21.9645 0.00000
982 21.9700 0.00000
983 21.9960 0.00000
984 22.0011 0.00000
985 22.0158 0.00000
986 22.0249 0.00000
987 22.0494 0.00000
988 22.0534 0.00000
989 22.0946 0.00000
990 22.0953 0.00000
991 22.1129 0.00000
992 22.1285 0.00000
993 22.1686 0.00000
994 22.1801 0.00000
995 22.2049 0.00000
996 22.2281 0.00000
997 22.2556 0.00000
998 22.2950 0.00000
999 22.3177 0.00000
1000 22.3301 0.00000
1001 22.3606 0.00000
1002 22.3778 0.00000
1003 22.3781 0.00000
1004 22.3804 0.00000
1005 22.3948 0.00000
1006 22.4347 0.00000
1007 22.4591 0.00000
1008 22.4773 0.00000
1009 22.4781 0.00000
1010 22.4788 0.00000
1011 22.5028 0.00000
1012 22.5338 0.00000
1013 22.5500 0.00000
1014 22.6181 0.00000
1015 22.6226 0.00000
1016 22.6232 0.00000
1017 22.6281 0.00000
1018 22.6508 0.00000
1019 22.6888 0.00000
1020 22.7295 0.00000
1021 22.7468 0.00000
1022 22.7617 0.00000
1023 22.7908 0.00000
1024 22.7930 0.00000
1025 22.7939 0.00000
1026 22.8124 0.00000
1027 22.8381 0.00000
1028 22.8760 0.00000
1029 22.9050 0.00000
1030 22.9142 0.00000
1031 22.9530 0.00000
1032 22.9891 0.00000
1033 22.9930 0.00000
1034 23.0016 0.00000
1035 23.0458 0.00000
1036 23.0533 0.00000
1037 23.1105 0.00000
1038 23.1223 0.00000
1039 23.1396 0.00000
1040 23.1581 0.00000
1041 23.1584 0.00000
1042 23.1678 0.00000
1043 23.1967 0.00000
1044 23.2079 0.00000
1045 23.2228 0.00000
1046 23.2596 0.00000
1047 23.2802 0.00000
1048 23.3063 0.00000
1049 23.3415 0.00000
1050 23.3572 0.00000
1051 23.3645 0.00000
1052 23.3809 0.00000
1053 23.3837 0.00000
1054 23.3998 0.00000
1055 23.4534 0.00000
1056 23.4989 0.00000
1057 23.4992 0.00000
1058 23.5012 0.00000
1059 23.5542 0.00000
1060 23.5656 0.00000
1061 23.5771 0.00000
1062 23.5825 0.00000
1063 23.6554 0.00000
1064 23.6626 0.00000
1065 23.6752 0.00000
1066 23.6850 0.00000
1067 23.6920 0.00000
1068 23.6945 0.00000
1069 23.6969 0.00000
1070 23.7296 0.00000
1071 23.7390 0.00000
1072 23.8168 0.00000
1073 23.8357 0.00000
1074 23.8387 0.00000
1075 23.8629 0.00000
1076 23.8649 0.00000
1077 23.8714 0.00000
1078 23.9268 0.00000
1079 23.9576 0.00000
1080 23.9906 0.00000
1081 23.9930 0.00000
1082 24.0319 0.00000
1083 24.0447 0.00000
1084 24.0872 0.00000
1085 24.0978 0.00000
1086 24.1108 0.00000
1087 24.1230 0.00000
1088 24.1632 0.00000
1089 24.2074 0.00000
1090 24.2117 0.00000
1091 24.2206 0.00000
1092 24.2531 0.00000
1093 24.2746 0.00000
1094 24.2788 0.00000
1095 24.2872 0.00000
1096 24.3115 0.00000
1097 24.3187 0.00000
1098 24.3430 0.00000
1099 24.3661 0.00000
1100 24.3803 0.00000
1101 24.4114 0.00000
1102 24.4221 0.00000
1103 24.4627 0.00000
1104 24.4711 0.00000
1105 24.4874 0.00000
1106 24.5000 0.00000
1107 24.5315 0.00000
1108 24.5422 0.00000
1109 24.5493 0.00000
1110 24.5648 0.00000
1111 24.5910 0.00000
1112 24.6207 0.00000
1113 24.6299 0.00000
1114 24.6521 0.00000
1115 24.6757 0.00000
1116 24.6854 0.00000
1117 24.7127 0.00000
1118 24.7256 0.00000
1119 24.7521 0.00000
1120 24.7651 0.00000
1121 24.7789 0.00000
1122 24.8179 0.00000
1123 24.8470 0.00000
1124 24.8599 0.00000
1125 24.8899 0.00000
1126 24.9120 0.00000
1127 24.9414 0.00000
1128 24.9576 0.00000
1129 24.9750 0.00000
1130 24.9974 0.00000
1131 25.0376 0.00000
1132 25.0765 0.00000
1133 25.0902 0.00000
1134 25.1130 0.00000
1135 25.1287 0.00000
1136 25.1579 0.00000
1137 25.1856 0.00000
1138 25.2026 0.00000
1139 25.2194 0.00000
1140 25.2547 0.00000
1141 25.2832 0.00000
1142 25.3028 0.00000
1143 25.3486 0.00000
1144 25.3588 0.00000
1145 25.3787 0.00000
1146 25.4427 0.00000
1147 25.4540 0.00000
1148 25.5265 0.00000
1149 25.5511 0.00000
1150 25.5924 0.00000
1151 25.6320 0.00000
1152 25.7073 0.00000
k-point 4 : 0.3333 0.3333 0.0000
band No. band energies occupation
1 -76.4224 1.00000
2 -76.4222 1.00000
3 -76.4222 1.00000
4 -76.4220 1.00000
5 -76.4214 1.00000
6 -76.4212 1.00000
7 -76.4208 1.00000
8 -76.4206 1.00000
9 -40.7764 1.00000
10 -40.7745 1.00000
11 -40.7738 1.00000
12 -40.7732 1.00000
13 -40.7712 1.00000
14 -40.7685 1.00000
15 -40.7683 1.00000
16 -40.7673 1.00000
17 -40.7556 1.00000
18 -40.7547 1.00000
19 -40.7525 1.00000
20 -40.7492 1.00000
21 -40.7426 1.00000
22 -40.7423 1.00000
23 -40.7418 1.00000
24 -40.7390 1.00000
25 -40.6998 1.00000
26 -40.6993 1.00000
27 -40.6973 1.00000
28 -40.6962 1.00000
29 -40.6905 1.00000
30 -40.6898 1.00000
31 -40.6889 1.00000
32 -40.6878 1.00000
33 -24.0544 1.00000
34 -24.0485 1.00000
35 -24.0445 1.00000
36 -24.0433 1.00000
37 -24.0367 1.00000
38 -24.0350 1.00000
39 -24.0343 1.00000
40 -24.0337 1.00000
41 -24.0026 1.00000
42 -23.9961 1.00000
43 -23.9908 1.00000
44 -23.9898 1.00000
45 -23.9834 1.00000
46 -23.9807 1.00000
47 -23.9807 1.00000
48 -23.9790 1.00000
49 -23.9163 1.00000
50 -23.9157 1.00000
51 -23.8916 1.00000
52 -23.8875 1.00000
53 -23.8565 1.00000
54 -23.8559 1.00000
55 -23.8348 1.00000
56 -23.8303 1.00000
57 -23.8293 1.00000
58 -23.8281 1.00000
59 -23.8276 1.00000
60 -23.8268 1.00000
61 -23.8233 1.00000
62 -23.8230 1.00000
63 -23.8206 1.00000
64 -23.8185 1.00000
65 -23.7925 1.00000
66 -23.7917 1.00000
67 -23.7814 1.00000
68 -23.7804 1.00000
69 -23.7759 1.00000
70 -23.7735 1.00000
71 -23.7710 1.00000
72 -23.7697 1.00000
73 -23.7655 1.00000
74 -23.7651 1.00000
75 -23.7645 1.00000
76 -23.7633 1.00000
77 -23.7592 1.00000
78 -23.7584 1.00000
79 -23.7579 1.00000
80 -23.7578 1.00000
81 -23.7483 1.00000
82 -23.7481 1.00000
83 -23.7295 1.00000
84 -23.7266 1.00000
85 -23.7263 1.00000
86 -23.7246 1.00000
87 -23.7243 1.00000
88 -23.7211 1.00000
89 -23.7139 1.00000
90 -23.7131 1.00000
91 -23.7103 1.00000
92 -23.7092 1.00000
93 -23.7090 1.00000
94 -23.7072 1.00000
95 -23.6894 1.00000
96 -23.6837 1.00000
97 -23.6708 1.00000
98 -23.6650 1.00000
99 -23.6612 1.00000
100 -23.6571 1.00000
101 -23.6350 1.00000
102 -23.6334 1.00000
103 -23.6316 1.00000
104 -23.6264 1.00000
105 -23.6260 1.00000
106 -23.6217 1.00000
107 -23.6185 1.00000
108 -23.6169 1.00000
109 -23.5909 1.00000
110 -23.5867 1.00000
111 -23.5808 1.00000
112 -23.5716 1.00000
113 -20.2104 1.00000
114 -20.0637 1.00000
115 -20.0252 1.00000
116 -19.9090 1.00000
117 -19.6163 1.00000
118 -19.5827 1.00000
119 -19.5333 1.00000
120 -19.5072 1.00000
121 -19.3856 1.00000
122 -19.3290 1.00000
123 -19.3023 1.00000
124 -19.2882 1.00000
125 -19.2843 1.00000
126 -19.2769 1.00000
127 -19.2045 1.00000
128 -19.2042 1.00000
129 -18.9335 1.00000
130 -18.9010 1.00000
131 -18.8981 1.00000
132 -18.8685 1.00000
133 -18.8485 1.00000
134 -18.8350 1.00000
135 -18.8008 1.00000
136 -18.7613 1.00000
137 -18.6540 1.00000
138 -18.6294 1.00000
139 -18.5800 1.00000
140 -18.5770 1.00000
141 -18.5332 1.00000
142 -18.5233 1.00000
143 -18.4984 1.00000
144 -18.4823 1.00000
145 -18.3452 1.00000
146 -18.3402 1.00000
147 -18.3396 1.00000
148 -18.3205 1.00000
149 -18.3028 1.00000
150 -18.2890 1.00000
151 -18.2739 1.00000
152 -18.2728 1.00000
153 -17.9008 1.00000
154 -17.8975 1.00000
155 -17.8813 1.00000
156 -17.8737 1.00000
157 -17.6539 1.00000
158 -17.6443 1.00000
159 -17.6417 1.00000
160 -17.6383 1.00000
161 -11.6653 1.00000
162 -11.5928 1.00000
163 -11.5381 1.00000
164 -11.4998 1.00000
165 -11.3693 1.00000
166 -11.3358 1.00000
167 -11.2633 1.00000
168 -11.2413 1.00000
169 -10.5595 1.00000
170 -10.5265 1.00000
171 -10.4820 1.00000
172 -10.4545 1.00000
173 -10.2414 1.00000
174 -10.2307 1.00000
175 -10.1317 1.00000
176 -10.1015 1.00000
177 -7.4465 1.00000
178 -7.3778 1.00000
179 -7.3749 1.00000
180 -7.3149 1.00000
181 -7.2066 1.00000
182 -7.1415 1.00000
183 -7.1045 1.00000
184 -7.0902 1.00000
185 -7.0378 1.00000
186 -7.0367 1.00000
187 -6.9619 1.00000
188 -6.9577 1.00000
189 -6.9470 1.00000
190 -6.9008 1.00000
191 -6.8205 1.00000
192 -6.7342 1.00000
193 -6.6481 1.00000
194 -6.6432 1.00000
195 -6.6178 1.00000
196 -6.5165 1.00000
197 -6.4797 1.00000
198 -6.4267 1.00000
199 -6.4237 1.00000
200 -6.2607 1.00000
201 -6.2392 1.00000
202 -6.2310 1.00000
203 -6.1816 1.00000
204 -6.1500 1.00000
205 -6.1485 1.00000
206 -6.1273 1.00000
207 -6.1203 1.00000
208 -6.0528 1.00000
209 -5.9615 1.00000
210 -5.9574 1.00000
211 -5.9291 1.00000
212 -5.9118 1.00000
213 -5.8414 1.00000
214 -5.8413 1.00000
215 -5.8066 1.00000
216 -5.7673 1.00000
217 -5.7503 1.00000
218 -5.6755 1.00000
219 -5.6118 1.00000
220 -5.5714 1.00000
221 -5.5076 1.00000
222 -5.4808 1.00000
223 -5.4437 1.00000
224 -5.4103 1.00000
225 -5.2634 1.00000
226 -5.2522 1.00000
227 -5.1483 1.00000
228 -5.1144 1.00000
229 -4.9711 1.00000
230 -4.9555 1.00000
231 -4.9242 1.00000
232 -4.9023 1.00000
233 -4.8660 1.00000
234 -4.8494 1.00000
235 -4.7401 1.00000
236 -4.7178 1.00000
237 -4.7009 1.00000
238 -4.6421 1.00000
239 -4.5662 1.00000
240 -4.5610 1.00000
241 -4.5497 1.00000
242 -4.5161 1.00000
243 -4.3991 1.00000
244 -4.3753 1.00000
245 -4.3200 1.00000
246 -4.3033 1.00000
247 -4.3011 1.00000
248 -4.2051 1.00000
249 -4.1678 1.00000
250 -4.1660 1.00000
251 -4.1128 1.00000
252 -4.0863 1.00000
253 -4.0303 1.00000
254 -4.0077 1.00000
255 -3.9926 1.00000
256 -3.8876 1.00000
257 -3.8802 1.00000
258 -3.8317 1.00000
259 -3.8262 1.00000
260 -3.7225 1.00000
261 -3.7185 1.00000
262 -3.6283 1.00000
263 -3.6189 1.00000
264 -3.6121 1.00000
265 -3.5947 1.00000
266 -3.5515 1.00000
267 -3.5377 1.00000
268 -3.5155 1.00000
269 -3.4574 1.00000
270 -3.4414 1.00000
271 -3.4400 1.00000
272 -3.3812 1.00000
273 -3.3509 1.00000
274 -3.3431 1.00000
275 -3.3233 1.00000
276 -3.2508 1.00000
277 -3.2420 1.00000
278 -3.2220 1.00000
279 -3.2174 1.00000
280 -3.1453 1.00000
281 -3.1364 1.00000
282 -3.1256 1.00000
283 -3.1112 1.00000
284 -3.0664 1.00000
285 -3.0306 1.00000
286 -3.0273 1.00000
287 -3.0062 1.00000
288 -2.9418 1.00000
289 -2.9142 1.00000
290 -2.9126 1.00000
291 -2.9040 1.00000
292 -2.8283 1.00000
293 -2.8252 1.00000
294 -2.8238 1.00000
295 -2.8080 1.00000
296 -2.7768 1.00000
297 -2.7347 1.00000
298 -2.7052 1.00000
299 -2.7023 1.00000
300 -2.7008 1.00000
301 -2.6716 1.00000
302 -2.6575 1.00000
303 -2.6328 1.00000
304 -2.5737 1.00000
305 -2.5268 1.00000
306 -2.5264 1.00000
307 -2.4882 1.00000
308 -2.4869 1.00000
309 -2.4220 1.00000
310 -2.3919 1.00000
311 -2.3484 1.00000
312 -2.3157 1.00000
313 -2.3056 1.00000
314 -2.2999 1.00000
315 -2.2689 1.00000
316 -2.1969 1.00000
317 -2.1910 1.00000
318 -2.1345 1.00000
319 -2.1204 1.00000
320 -2.0391 1.00000
321 0.7960 0.00000
322 0.8891 0.00000
323 0.9145 0.00000
324 0.9876 0.00000
325 1.0362 0.00000
326 1.0972 0.00000
327 1.1132 0.00000
328 1.1148 0.00000
329 1.1881 0.00000
330 1.2517 0.00000
331 1.2966 0.00000
332 1.3057 0.00000
333 1.4002 0.00000
334 1.4447 0.00000
335 1.5250 0.00000
336 1.5459 0.00000
337 1.6224 0.00000
338 1.6394 0.00000
339 1.6415 0.00000
340 1.7289 0.00000
341 1.7468 0.00000
342 1.7580 0.00000
343 1.8618 0.00000
344 1.9832 0.00000
345 1.9956 0.00000
346 2.0534 0.00000
347 2.0703 0.00000
348 2.1157 0.00000
349 2.1226 0.00000
350 2.1631 0.00000
351 2.1661 0.00000
352 2.2880 0.00000
353 2.4247 0.00000
354 2.5935 0.00000
355 2.6165 0.00000
356 2.6532 0.00000
357 2.7159 0.00000
358 2.7543 0.00000
359 2.8024 0.00000
360 2.8233 0.00000
361 2.9379 0.00000
362 3.0751 0.00000
363 3.0970 0.00000
364 3.1839 0.00000
365 3.2174 0.00000
366 3.2608 0.00000
367 3.3938 0.00000
368 3.4343 0.00000
369 3.5061 0.00000
370 3.5876 0.00000
371 3.6120 0.00000
372 3.6249 0.00000
373 3.6894 0.00000
374 3.7311 0.00000
375 3.8263 0.00000
376 3.8521 0.00000
377 3.8717 0.00000
378 3.9328 0.00000
379 4.0080 0.00000
380 4.0165 0.00000
381 4.0386 0.00000
382 4.1326 0.00000
383 4.1869 0.00000
384 4.1999 0.00000
385 4.3307 0.00000
386 4.3367 0.00000
387 4.3430 0.00000
388 4.4234 0.00000
389 4.4261 0.00000
390 4.4673 0.00000
391 4.4797 0.00000
392 4.5901 0.00000
393 4.6168 0.00000
394 4.6464 0.00000
395 4.6684 0.00000
396 4.7156 0.00000
397 4.7827 0.00000
398 4.7878 0.00000
399 4.8234 0.00000
400 4.8332 0.00000
401 4.8802 0.00000
402 4.9216 0.00000
403 4.9338 0.00000
404 5.0299 0.00000
405 5.0533 0.00000
406 5.0538 0.00000
407 5.2142 0.00000
408 5.2252 0.00000
409 5.2447 0.00000
410 5.2470 0.00000
411 5.3374 0.00000
412 5.4379 0.00000
413 5.4398 0.00000
414 5.4768 0.00000
415 5.5068 0.00000
416 5.7004 0.00000
417 5.7174 0.00000
418 5.7546 0.00000
419 5.8093 0.00000
420 5.8475 0.00000
421 5.9957 0.00000
422 6.0243 0.00000
423 6.0347 0.00000
424 6.1053 0.00000
425 6.1112 0.00000
426 6.1372 0.00000
427 6.1377 0.00000
428 6.2375 0.00000
429 6.2972 0.00000
430 6.3086 0.00000
431 6.4595 0.00000
432 6.4982 0.00000
433 6.5854 0.00000
434 6.6819 0.00000
435 6.6877 0.00000
436 6.7488 0.00000
437 6.8229 0.00000
438 6.8441 0.00000
439 6.9118 0.00000
440 6.9690 0.00000
441 7.0475 0.00000
442 7.1574 0.00000
443 7.2074 0.00000
444 7.2337 0.00000
445 7.2341 0.00000
446 7.2468 0.00000
447 7.3210 0.00000
448 7.3433 0.00000
449 7.3609 0.00000
450 7.4838 0.00000
451 7.5032 0.00000
452 7.5127 0.00000
453 7.6846 0.00000
454 7.6896 0.00000
455 7.6966 0.00000
456 7.7046 0.00000
457 7.8229 0.00000
458 7.8830 0.00000
459 8.0242 0.00000
460 8.0645 0.00000
461 8.0753 0.00000
462 8.1133 0.00000
463 8.1255 0.00000
464 8.1846 0.00000
465 8.2264 0.00000
466 8.2574 0.00000
467 8.2734 0.00000
468 8.4522 0.00000
469 8.5067 0.00000
470 8.5743 0.00000
471 8.6084 0.00000
472 8.6097 0.00000
473 8.6281 0.00000
474 8.6548 0.00000
475 8.6899 0.00000
476 8.7229 0.00000
477 8.7414 0.00000
478 8.7759 0.00000
479 8.7828 0.00000
480 8.7842 0.00000
481 8.8320 0.00000
482 8.8322 0.00000
483 8.9197 0.00000
484 8.9532 0.00000
485 9.0404 0.00000
486 9.0935 0.00000
487 9.1798 0.00000
488 9.1925 0.00000
489 9.2122 0.00000
490 9.2539 0.00000
491 9.2554 0.00000
492 9.2786 0.00000
493 9.3328 0.00000
494 9.3676 0.00000
495 9.4045 0.00000
496 9.4351 0.00000
497 9.5543 0.00000
498 9.5594 0.00000
499 9.5682 0.00000
500 9.6158 0.00000
501 9.6544 0.00000
502 9.6692 0.00000
503 9.6925 0.00000
504 9.7384 0.00000
505 9.7384 0.00000
506 9.8325 0.00000
507 9.8425 0.00000
508 9.8493 0.00000
509 9.9046 0.00000
510 9.9196 0.00000
511 10.0379 0.00000
512 10.0551 0.00000
513 10.1043 0.00000
514 10.1043 0.00000
515 10.1614 0.00000
516 10.2020 0.00000
517 10.2210 0.00000
518 10.2625 0.00000
519 10.2669 0.00000
520 10.2926 0.00000
521 10.3113 0.00000
522 10.3967 0.00000
523 10.4027 0.00000
524 10.4600 0.00000
525 10.5193 0.00000
526 10.5322 0.00000
527 10.5336 0.00000
528 10.5702 0.00000
529 10.5889 0.00000
530 10.6826 0.00000
531 10.6981 0.00000
532 10.7173 0.00000
533 10.7682 0.00000
534 10.7867 0.00000
535 10.8293 0.00000
536 10.8464 0.00000
537 10.8887 0.00000
538 10.9681 0.00000
539 10.9715 0.00000
540 10.9837 0.00000
541 10.9855 0.00000
542 11.0129 0.00000
543 11.0309 0.00000
544 11.0484 0.00000
545 11.0567 0.00000
546 11.0929 0.00000
547 11.0964 0.00000
548 11.1275 0.00000
549 11.2095 0.00000
550 11.2197 0.00000
551 11.2276 0.00000
552 11.2325 0.00000
553 11.2388 0.00000
554 11.2826 0.00000
555 11.3531 0.00000
556 11.3584 0.00000
557 11.3704 0.00000
558 11.4355 0.00000
559 11.4640 0.00000
560 11.4763 0.00000
561 11.5242 0.00000
562 11.5815 0.00000
563 11.5931 0.00000
564 11.6314 0.00000
565 11.7141 0.00000
566 11.7282 0.00000
567 11.7718 0.00000
568 11.7987 0.00000
569 11.8302 0.00000
570 11.8332 0.00000
571 11.8667 0.00000
572 11.8898 0.00000
573 11.9339 0.00000
574 11.9526 0.00000
575 11.9575 0.00000
576 11.9907 0.00000
577 11.9945 0.00000
578 12.0441 0.00000
579 12.1111 0.00000
580 12.1307 0.00000
581 12.1453 0.00000
582 12.1881 0.00000
583 12.2323 0.00000
584 12.2423 0.00000
585 12.2725 0.00000
586 12.2964 0.00000
587 12.3275 0.00000
588 12.3925 0.00000
589 12.3961 0.00000
590 12.4218 0.00000
591 12.4687 0.00000
592 12.4755 0.00000
593 12.4840 0.00000
594 12.4935 0.00000
595 12.4938 0.00000
596 12.5182 0.00000
597 12.5995 0.00000
598 12.6405 0.00000
599 12.6666 0.00000
600 12.7171 0.00000
601 12.7360 0.00000
602 12.7385 0.00000
603 12.7652 0.00000
604 12.8070 0.00000
605 12.8658 0.00000
606 12.8790 0.00000
607 12.9504 0.00000
608 12.9541 0.00000
609 12.9814 0.00000
610 13.0418 0.00000
611 13.0544 0.00000
612 13.0824 0.00000
613 13.1019 0.00000
614 13.1102 0.00000
615 13.1513 0.00000
616 13.1540 0.00000
617 13.1832 0.00000
618 13.2302 0.00000
619 13.2327 0.00000
620 13.2961 0.00000
621 13.3020 0.00000
622 13.3308 0.00000
623 13.3337 0.00000
624 13.3505 0.00000
625 13.3534 0.00000
626 13.3932 0.00000
627 13.4387 0.00000
628 13.4469 0.00000
629 13.4750 0.00000
630 13.5282 0.00000
631 13.5317 0.00000
632 13.5354 0.00000
633 13.5755 0.00000
634 13.5914 0.00000
635 13.6256 0.00000
636 13.6635 0.00000
637 13.6801 0.00000
638 13.7297 0.00000
639 13.7402 0.00000
640 13.7480 0.00000
641 13.7924 0.00000
642 13.8454 0.00000
643 13.9004 0.00000
644 13.9306 0.00000
645 13.9563 0.00000
646 13.9952 0.00000
647 13.9956 0.00000
648 14.0002 0.00000
649 14.0185 0.00000
650 14.0359 0.00000
651 14.0743 0.00000
652 14.0794 0.00000
653 14.1356 0.00000
654 14.1379 0.00000
655 14.1730 0.00000
656 14.2512 0.00000
657 14.2574 0.00000
658 14.2587 0.00000
659 14.3356 0.00000
660 14.3522 0.00000
661 14.3669 0.00000
662 14.3959 0.00000
663 14.4384 0.00000
664 14.4606 0.00000
665 14.4619 0.00000
666 14.4955 0.00000
667 14.5437 0.00000
668 14.5529 0.00000
669 14.5542 0.00000
670 14.6057 0.00000
671 14.6186 0.00000
672 14.6207 0.00000
673 14.6666 0.00000
674 14.7259 0.00000
675 14.7322 0.00000
676 14.7482 0.00000
677 14.7759 0.00000
678 14.8243 0.00000
679 14.8280 0.00000
680 14.8363 0.00000
681 14.8536 0.00000
682 14.9080 0.00000
683 14.9111 0.00000
684 14.9841 0.00000
685 15.0180 0.00000
686 15.0200 0.00000
687 15.0353 0.00000
688 15.0901 0.00000
689 15.1151 0.00000
690 15.1621 0.00000
691 15.1866 0.00000
692 15.1881 0.00000
693 15.1957 0.00000
694 15.2093 0.00000
695 15.2667 0.00000
696 15.2917 0.00000
697 15.3102 0.00000
698 15.3357 0.00000
699 15.3757 0.00000
700 15.3903 0.00000
701 15.4205 0.00000
702 15.4378 0.00000
703 15.4705 0.00000
704 15.4825 0.00000
705 15.5192 0.00000
706 15.5451 0.00000
707 15.5699 0.00000
708 15.5985 0.00000
709 15.6123 0.00000
710 15.6333 0.00000
711 15.6485 0.00000
712 15.6633 0.00000
713 15.7267 0.00000
714 15.7414 0.00000
715 15.7460 0.00000
716 15.7852 0.00000
717 15.7948 0.00000
718 15.8601 0.00000
719 15.8656 0.00000
720 15.8903 0.00000
721 15.9236 0.00000
722 15.9401 0.00000
723 15.9685 0.00000
724 16.0139 0.00000
725 16.0233 0.00000
726 16.0479 0.00000
727 16.0751 0.00000
728 16.0913 0.00000
729 16.1140 0.00000
730 16.1307 0.00000
731 16.1774 0.00000
732 16.1949 0.00000
733 16.2658 0.00000
734 16.2910 0.00000
735 16.2971 0.00000
736 16.3195 0.00000
737 16.3534 0.00000
738 16.3838 0.00000
739 16.3946 0.00000
740 16.4114 0.00000
741 16.4278 0.00000
742 16.4967 0.00000
743 16.5154 0.00000
744 16.5802 0.00000
745 16.5871 0.00000
746 16.6463 0.00000
747 16.6827 0.00000
748 16.6981 0.00000
749 16.7169 0.00000
750 16.7319 0.00000
751 16.7513 0.00000
752 16.7527 0.00000
753 16.7828 0.00000
754 16.8035 0.00000
755 16.8068 0.00000
756 16.8461 0.00000
757 16.8585 0.00000
758 16.8825 0.00000
759 16.9108 0.00000
760 16.9175 0.00000
761 16.9461 0.00000
762 16.9834 0.00000
763 16.9871 0.00000
764 17.0137 0.00000
765 17.0155 0.00000
766 17.0436 0.00000
767 17.0497 0.00000
768 17.0724 0.00000
769 17.1245 0.00000
770 17.1464 0.00000
771 17.1887 0.00000
772 17.1965 0.00000
773 17.2069 0.00000
774 17.2263 0.00000
775 17.2359 0.00000
776 17.2656 0.00000
777 17.2898 0.00000
778 17.2963 0.00000
779 17.3362 0.00000
780 17.3874 0.00000
781 17.4088 0.00000
782 17.4181 0.00000
783 17.4490 0.00000
784 17.4502 0.00000
785 17.5401 0.00000
786 17.5504 0.00000
787 17.5630 0.00000
788 17.5829 0.00000
789 17.6143 0.00000
790 17.6334 0.00000
791 17.6978 0.00000
792 17.7047 0.00000
793 17.7248 0.00000
794 17.7345 0.00000
795 17.7506 0.00000
796 17.7729 0.00000
797 17.8138 0.00000
798 17.8364 0.00000
799 17.8597 0.00000
800 17.8788 0.00000
801 17.8857 0.00000
802 17.8961 0.00000
803 17.9023 0.00000
804 17.9150 0.00000
805 17.9977 0.00000
806 18.0397 0.00000
807 18.0398 0.00000
808 18.0551 0.00000
809 18.1093 0.00000
810 18.1117 0.00000
811 18.1123 0.00000
812 18.1191 0.00000
813 18.1712 0.00000
814 18.1721 0.00000
815 18.2203 0.00000
816 18.2396 0.00000
817 18.2591 0.00000
818 18.3033 0.00000
819 18.3229 0.00000
820 18.3660 0.00000
821 18.4015 0.00000
822 18.4394 0.00000
823 18.4444 0.00000
824 18.4695 0.00000
825 18.4733 0.00000
826 18.4961 0.00000
827 18.5359 0.00000
828 18.6011 0.00000
829 18.6095 0.00000
830 18.6100 0.00000
831 18.6453 0.00000
832 18.6534 0.00000
833 18.6664 0.00000
834 18.7052 0.00000
835 18.7384 0.00000
836 18.7739 0.00000
837 18.7916 0.00000
838 18.8128 0.00000
839 18.8319 0.00000
840 18.8692 0.00000
841 18.8781 0.00000
842 18.8879 0.00000
843 18.9028 0.00000
844 18.9240 0.00000
845 18.9354 0.00000
846 18.9759 0.00000
847 18.9846 0.00000
848 19.0175 0.00000
849 19.0657 0.00000
850 19.0830 0.00000
851 19.1153 0.00000
852 19.1432 0.00000
853 19.1519 0.00000
854 19.1749 0.00000
855 19.1892 0.00000
856 19.2025 0.00000
857 19.2153 0.00000
858 19.2516 0.00000
859 19.3024 0.00000
860 19.3279 0.00000
861 19.3814 0.00000
862 19.3853 0.00000
863 19.4037 0.00000
864 19.4186 0.00000
865 19.4245 0.00000
866 19.4536 0.00000
867 19.4547 0.00000
868 19.4892 0.00000
869 19.5000 0.00000
870 19.5427 0.00000
871 19.5616 0.00000
872 19.5792 0.00000
873 19.5810 0.00000
874 19.5878 0.00000
875 19.6435 0.00000
876 19.6914 0.00000
877 19.6982 0.00000
878 19.7201 0.00000
879 19.7276 0.00000
880 19.7624 0.00000
881 19.8036 0.00000
882 19.8053 0.00000
883 19.8152 0.00000
884 19.8200 0.00000
885 19.8720 0.00000
886 19.9096 0.00000
887 19.9524 0.00000
888 19.9538 0.00000
889 19.9702 0.00000
890 20.0050 0.00000
891 20.0125 0.00000
892 20.0176 0.00000
893 20.0503 0.00000
894 20.0557 0.00000
895 20.0762 0.00000
896 20.1245 0.00000
897 20.1273 0.00000
898 20.1323 0.00000
899 20.1760 0.00000
900 20.2103 0.00000
901 20.2281 0.00000
902 20.2285 0.00000
903 20.2645 0.00000
904 20.2981 0.00000
905 20.2987 0.00000
906 20.3309 0.00000
907 20.3655 0.00000
908 20.3782 0.00000
909 20.4100 0.00000
910 20.4270 0.00000
911 20.4569 0.00000
912 20.4582 0.00000
913 20.4787 0.00000
914 20.5035 0.00000
915 20.5104 0.00000
916 20.5365 0.00000
917 20.5379 0.00000
918 20.5695 0.00000
919 20.6082 0.00000
920 20.6143 0.00000
921 20.6436 0.00000
922 20.6644 0.00000
923 20.6680 0.00000
924 20.6834 0.00000
925 20.7303 0.00000
926 20.7446 0.00000
927 20.7832 0.00000
928 20.7848 0.00000
929 20.7873 0.00000
930 20.8372 0.00000
931 20.8403 0.00000
932 20.8405 0.00000
933 20.8858 0.00000
934 20.9174 0.00000
935 20.9450 0.00000
936 20.9529 0.00000
937 20.9891 0.00000
938 20.9926 0.00000
939 21.0206 0.00000
940 21.0332 0.00000
941 21.0658 0.00000
942 21.0664 0.00000
943 21.0767 0.00000
944 21.0971 0.00000
945 21.1285 0.00000
946 21.1587 0.00000
947 21.1663 0.00000
948 21.2134 0.00000
949 21.2234 0.00000
950 21.2264 0.00000
951 21.2449 0.00000
952 21.2587 0.00000
953 21.2940 0.00000
954 21.3118 0.00000
955 21.3295 0.00000
956 21.3441 0.00000
957 21.3721 0.00000
958 21.3746 0.00000
959 21.3754 0.00000
960 21.4192 0.00000
961 21.4428 0.00000
962 21.4492 0.00000
963 21.4797 0.00000
964 21.5077 0.00000
965 21.5092 0.00000
966 21.5320 0.00000
967 21.5397 0.00000
968 21.5644 0.00000
969 21.5746 0.00000
970 21.6201 0.00000
971 21.6229 0.00000
972 21.6541 0.00000
973 21.6874 0.00000
974 21.7005 0.00000
975 21.7107 0.00000
976 21.7402 0.00000
977 21.7493 0.00000
978 21.7942 0.00000
979 21.8088 0.00000
980 21.8095 0.00000
981 21.8178 0.00000
982 21.8674 0.00000
983 21.8863 0.00000
984 21.8980 0.00000
985 21.9025 0.00000
986 21.9249 0.00000
987 21.9439 0.00000
988 21.9652 0.00000
989 21.9735 0.00000
990 21.9952 0.00000
991 22.0336 0.00000
992 22.0341 0.00000
993 22.0858 0.00000
994 22.0967 0.00000
995 22.1001 0.00000
996 22.1170 0.00000
997 22.1588 0.00000
998 22.1750 0.00000
999 22.1763 0.00000
1000 22.2418 0.00000
1001 22.2455 0.00000
1002 22.2477 0.00000
1003 22.2781 0.00000
1004 22.2902 0.00000
1005 22.2952 0.00000
1006 22.3200 0.00000
1007 22.3614 0.00000
1008 22.3620 0.00000
1009 22.3719 0.00000
1010 22.3755 0.00000
1011 22.3863 0.00000
1012 22.4462 0.00000
1013 22.4595 0.00000
1014 22.5065 0.00000
1015 22.5176 0.00000
1016 22.5200 0.00000
1017 22.5258 0.00000
1018 22.5720 0.00000
1019 22.6043 0.00000
1020 22.6396 0.00000
1021 22.6464 0.00000
1022 22.6492 0.00000
1023 22.6493 0.00000
1024 22.6812 0.00000
1025 22.7048 0.00000
1026 22.7367 0.00000
1027 22.7663 0.00000
1028 22.7707 0.00000
1029 22.7847 0.00000
1030 22.7987 0.00000
1031 22.8452 0.00000
1032 22.8453 0.00000
1033 22.8532 0.00000
1034 22.8583 0.00000
1035 22.8795 0.00000
1036 22.9673 0.00000
1037 22.9959 0.00000
1038 23.0020 0.00000
1039 23.0232 0.00000
1040 23.0339 0.00000
1041 23.0710 0.00000
1042 23.0842 0.00000
1043 23.0924 0.00000
1044 23.1214 0.00000
1045 23.1557 0.00000
1046 23.1660 0.00000
1047 23.1951 0.00000
1048 23.2161 0.00000
1049 23.2269 0.00000
1050 23.2349 0.00000
1051 23.2672 0.00000
1052 23.2974 0.00000
1053 23.3012 0.00000
1054 23.3107 0.00000
1055 23.3488 0.00000
1056 23.3729 0.00000
1057 23.3761 0.00000
1058 23.3816 0.00000
1059 23.3906 0.00000
1060 23.4388 0.00000
1061 23.4414 0.00000
1062 23.4517 0.00000
1063 23.4936 0.00000
1064 23.5035 0.00000
1065 23.5174 0.00000
1066 23.5392 0.00000
1067 23.5456 0.00000
1068 23.5809 0.00000
1069 23.6296 0.00000
1070 23.6689 0.00000
1071 23.7116 0.00000
1072 23.7199 0.00000
1073 23.7206 0.00000
1074 23.7330 0.00000
1075 23.7806 0.00000
1076 23.7849 0.00000
1077 23.8154 0.00000
1078 23.8162 0.00000
1079 23.8392 0.00000
1080 23.8629 0.00000
1081 23.8801 0.00000
1082 23.8944 0.00000
1083 23.9261 0.00000
1084 23.9355 0.00000
1085 23.9384 0.00000
1086 23.9435 0.00000
1087 24.0002 0.00000
1088 24.0226 0.00000
1089 24.0369 0.00000
1090 24.0588 0.00000
1091 24.0684 0.00000
1092 24.0927 0.00000
1093 24.1313 0.00000
1094 24.1665 0.00000
1095 24.1935 0.00000
1096 24.2096 0.00000
1097 24.2411 0.00000
1098 24.2682 0.00000
1099 24.2755 0.00000
1100 24.2864 0.00000
1101 24.3016 0.00000
1102 24.3224 0.00000
1103 24.3641 0.00000
1104 24.3715 0.00000
1105 24.4003 0.00000
1106 24.4313 0.00000
1107 24.4468 0.00000
1108 24.4597 0.00000
1109 24.4883 0.00000
1110 24.4975 0.00000
1111 24.5132 0.00000
1112 24.5296 0.00000
1113 24.5482 0.00000
1114 24.5819 0.00000
1115 24.6043 0.00000
1116 24.6232 0.00000
1117 24.6444 0.00000
1118 24.6698 0.00000
1119 24.7205 0.00000
1120 24.7317 0.00000
1121 24.7680 0.00000
1122 24.8030 0.00000
1123 24.8222 0.00000
1124 24.8441 0.00000
1125 24.8617 0.00000
1126 24.8834 0.00000
1127 24.8958 0.00000
1128 24.9262 0.00000
1129 24.9464 0.00000
1130 24.9666 0.00000
1131 24.9926 0.00000
1132 25.0284 0.00000
1133 25.0446 0.00000
1134 25.0666 0.00000
1135 25.1122 0.00000
1136 25.1225 0.00000
1137 25.1518 0.00000
1138 25.1651 0.00000
1139 25.1984 0.00000
1140 25.2441 0.00000
1141 25.2619 0.00000
1142 25.2856 0.00000
1143 25.3021 0.00000
1144 25.3658 0.00000
1145 25.4034 0.00000
1146 25.4184 0.00000
1147 25.4230 0.00000
1148 25.4533 0.00000
1149 25.5171 0.00000
1150 25.5564 0.00000
1151 25.6055 0.00000
1152 25.6872 0.00000
k-point 5 : -0.3333 0.3333 0.0000
band No. band energies occupation
1 -76.4224 1.00000
2 -76.4222 1.00000
3 -76.4222 1.00000
4 -76.4220 1.00000
5 -76.4214 1.00000
6 -76.4212 1.00000
7 -76.4208 1.00000
8 -76.4206 1.00000
9 -40.7761 1.00000
10 -40.7742 1.00000
11 -40.7741 1.00000
12 -40.7735 1.00000
13 -40.7716 1.00000
14 -40.7687 1.00000
15 -40.7681 1.00000
16 -40.7669 1.00000
17 -40.7556 1.00000
18 -40.7547 1.00000
19 -40.7525 1.00000
20 -40.7493 1.00000
21 -40.7426 1.00000
22 -40.7423 1.00000
23 -40.7418 1.00000
24 -40.7390 1.00000
25 -40.6998 1.00000
26 -40.6993 1.00000
27 -40.6974 1.00000
28 -40.6961 1.00000
29 -40.6905 1.00000
30 -40.6898 1.00000
31 -40.6888 1.00000
32 -40.6878 1.00000
33 -24.0544 1.00000
34 -24.0486 1.00000
35 -24.0444 1.00000
36 -24.0434 1.00000
37 -24.0368 1.00000
38 -24.0351 1.00000
39 -24.0342 1.00000
40 -24.0336 1.00000
41 -24.0026 1.00000
42 -23.9961 1.00000
43 -23.9909 1.00000
44 -23.9898 1.00000
45 -23.9833 1.00000
46 -23.9807 1.00000
47 -23.9806 1.00000
48 -23.9791 1.00000
49 -23.9163 1.00000
50 -23.9157 1.00000
51 -23.8916 1.00000
52 -23.8875 1.00000
53 -23.8565 1.00000
54 -23.8560 1.00000
55 -23.8348 1.00000
56 -23.8304 1.00000
57 -23.8294 1.00000
58 -23.8281 1.00000
59 -23.8272 1.00000
60 -23.8268 1.00000
61 -23.8236 1.00000
62 -23.8228 1.00000
63 -23.8206 1.00000
64 -23.8184 1.00000
65 -23.7924 1.00000
66 -23.7918 1.00000
67 -23.7814 1.00000
68 -23.7804 1.00000
69 -23.7757 1.00000
70 -23.7737 1.00000
71 -23.7708 1.00000
72 -23.7700 1.00000
73 -23.7651 1.00000
74 -23.7649 1.00000
75 -23.7646 1.00000
76 -23.7636 1.00000
77 -23.7593 1.00000
78 -23.7583 1.00000
79 -23.7581 1.00000
80 -23.7578 1.00000
81 -23.7483 1.00000
82 -23.7482 1.00000
83 -23.7295 1.00000
84 -23.7266 1.00000
85 -23.7263 1.00000
86 -23.7245 1.00000
87 -23.7242 1.00000
88 -23.7213 1.00000
89 -23.7138 1.00000
90 -23.7132 1.00000
91 -23.7102 1.00000
92 -23.7093 1.00000
93 -23.7090 1.00000
94 -23.7073 1.00000
95 -23.6894 1.00000
96 -23.6837 1.00000
97 -23.6708 1.00000
98 -23.6650 1.00000
99 -23.6612 1.00000
100 -23.6571 1.00000
101 -23.6350 1.00000
102 -23.6334 1.00000
103 -23.6316 1.00000
104 -23.6264 1.00000
105 -23.6260 1.00000
106 -23.6217 1.00000
107 -23.6185 1.00000
108 -23.6168 1.00000
109 -23.5909 1.00000
110 -23.5867 1.00000
111 -23.5808 1.00000
112 -23.5716 1.00000
113 -20.2105 1.00000
114 -20.0636 1.00000
115 -20.0252 1.00000
116 -19.9091 1.00000
117 -19.6164 1.00000
118 -19.5824 1.00000
119 -19.5333 1.00000
120 -19.5077 1.00000
121 -19.3849 1.00000
122 -19.3295 1.00000
123 -19.3025 1.00000
124 -19.2882 1.00000
125 -19.2841 1.00000
126 -19.2768 1.00000
127 -19.2047 1.00000
128 -19.2042 1.00000
129 -18.9332 1.00000
130 -18.9011 1.00000
131 -18.8983 1.00000
132 -18.8688 1.00000
133 -18.8482 1.00000
134 -18.8348 1.00000
135 -18.8006 1.00000
136 -18.7616 1.00000
137 -18.6538 1.00000
138 -18.6295 1.00000
139 -18.5800 1.00000
140 -18.5771 1.00000
141 -18.5333 1.00000
142 -18.5231 1.00000
143 -18.4985 1.00000
144 -18.4822 1.00000
145 -18.3452 1.00000
146 -18.3405 1.00000
147 -18.3392 1.00000
148 -18.3208 1.00000
149 -18.3026 1.00000
150 -18.2893 1.00000
151 -18.2738 1.00000
152 -18.2728 1.00000
153 -17.9008 1.00000
154 -17.8975 1.00000
155 -17.8813 1.00000
156 -17.8738 1.00000
157 -17.6539 1.00000
158 -17.6443 1.00000
159 -17.6417 1.00000
160 -17.6383 1.00000
161 -11.6653 1.00000
162 -11.5927 1.00000
163 -11.5381 1.00000
164 -11.4999 1.00000
165 -11.3693 1.00000
166 -11.3360 1.00000
167 -11.2632 1.00000
168 -11.2412 1.00000
169 -10.5592 1.00000
170 -10.5267 1.00000
171 -10.4820 1.00000
172 -10.4546 1.00000
173 -10.2412 1.00000
174 -10.2309 1.00000
175 -10.1317 1.00000
176 -10.1015 1.00000
177 -7.4467 1.00000
178 -7.3781 1.00000
179 -7.3748 1.00000
180 -7.3147 1.00000
181 -7.2061 1.00000
182 -7.1421 1.00000
183 -7.1046 1.00000
184 -7.0898 1.00000
185 -7.0380 1.00000
186 -7.0368 1.00000
187 -6.9617 1.00000
188 -6.9573 1.00000
189 -6.9462 1.00000
190 -6.9014 1.00000
191 -6.8203 1.00000
192 -6.7340 1.00000
193 -6.6478 1.00000
194 -6.6436 1.00000
195 -6.6182 1.00000
196 -6.5169 1.00000
197 -6.4802 1.00000
198 -6.4261 1.00000
199 -6.4232 1.00000
200 -6.2608 1.00000
201 -6.2395 1.00000
202 -6.2316 1.00000
203 -6.1823 1.00000
204 -6.1505 1.00000
205 -6.1473 1.00000
206 -6.1270 1.00000
207 -6.1199 1.00000
208 -6.0528 1.00000
209 -5.9612 1.00000
210 -5.9579 1.00000
211 -5.9288 1.00000
212 -5.9118 1.00000
213 -5.8415 1.00000
214 -5.8401 1.00000
215 -5.8062 1.00000
216 -5.7689 1.00000
217 -5.7506 1.00000
218 -5.6752 1.00000
219 -5.6114 1.00000
220 -5.5707 1.00000
221 -5.5072 1.00000
222 -5.4817 1.00000
223 -5.4440 1.00000
224 -5.4108 1.00000
225 -5.2633 1.00000
226 -5.2522 1.00000
227 -5.1483 1.00000
228 -5.1148 1.00000
229 -4.9711 1.00000
230 -4.9559 1.00000
231 -4.9233 1.00000
232 -4.9022 1.00000
233 -4.8669 1.00000
234 -4.8492 1.00000
235 -4.7398 1.00000
236 -4.7187 1.00000
237 -4.7010 1.00000
238 -4.6418 1.00000
239 -4.5668 1.00000
240 -4.5604 1.00000
241 -4.5494 1.00000
242 -4.5157 1.00000
243 -4.3988 1.00000
244 -4.3753 1.00000
245 -4.3199 1.00000
246 -4.3032 1.00000
247 -4.3007 1.00000
248 -4.2049 1.00000
249 -4.1673 1.00000
250 -4.1671 1.00000
251 -4.1136 1.00000
252 -4.0861 1.00000
253 -4.0301 1.00000
254 -4.0072 1.00000
255 -3.9925 1.00000
256 -3.8871 1.00000
257 -3.8808 1.00000
258 -3.8315 1.00000
259 -3.8253 1.00000
260 -3.7235 1.00000
261 -3.7181 1.00000
262 -3.6289 1.00000
263 -3.6192 1.00000
264 -3.6128 1.00000
265 -3.5948 1.00000
266 -3.5513 1.00000
267 -3.5371 1.00000
268 -3.5153 1.00000
269 -3.4565 1.00000
270 -3.4420 1.00000
271 -3.4406 1.00000
272 -3.3819 1.00000
273 -3.3510 1.00000
274 -3.3421 1.00000
275 -3.3229 1.00000
276 -3.2509 1.00000
277 -3.2425 1.00000
278 -3.2221 1.00000
279 -3.2167 1.00000
280 -3.1465 1.00000
281 -3.1362 1.00000
282 -3.1259 1.00000
283 -3.1102 1.00000
284 -3.0666 1.00000
285 -3.0312 1.00000
286 -3.0270 1.00000
287 -3.0070 1.00000
288 -2.9425 1.00000
289 -2.9137 1.00000
290 -2.9120 1.00000
291 -2.9038 1.00000
292 -2.8285 1.00000
293 -2.8253 1.00000
294 -2.8233 1.00000
295 -2.8075 1.00000
296 -2.7766 1.00000
297 -2.7350 1.00000
298 -2.7051 1.00000
299 -2.7026 1.00000
300 -2.7011 1.00000
301 -2.6714 1.00000
302 -2.6577 1.00000
303 -2.6329 1.00000
304 -2.5736 1.00000
305 -2.5268 1.00000
306 -2.5264 1.00000
307 -2.4885 1.00000
308 -2.4869 1.00000
309 -2.4219 1.00000
310 -2.3918 1.00000
311 -2.3483 1.00000
312 -2.3167 1.00000
313 -2.3052 1.00000
314 -2.2987 1.00000
315 -2.2689 1.00000
316 -2.1975 1.00000
317 -2.1915 1.00000
318 -2.1344 1.00000
319 -2.1201 1.00000
320 -2.0390 1.00000
321 0.7963 0.00000
322 0.8885 0.00000
323 0.9148 0.00000
324 0.9869 0.00000
325 1.0358 0.00000
326 1.0979 0.00000
327 1.1142 0.00000
328 1.1147 0.00000
329 1.1884 0.00000
330 1.2512 0.00000
331 1.2969 0.00000
332 1.3049 0.00000
333 1.3999 0.00000
334 1.4446 0.00000
335 1.5257 0.00000
336 1.5472 0.00000
337 1.6223 0.00000
338 1.6382 0.00000
339 1.6405 0.00000
340 1.7293 0.00000
341 1.7471 0.00000
342 1.7587 0.00000
343 1.8618 0.00000
344 1.9829 0.00000
345 1.9966 0.00000
346 2.0527 0.00000
347 2.0695 0.00000
348 2.1158 0.00000
349 2.1219 0.00000
350 2.1634 0.00000
351 2.1662 0.00000
352 2.2881 0.00000
353 2.4258 0.00000
354 2.5926 0.00000
355 2.6172 0.00000
356 2.6533 0.00000
357 2.7171 0.00000
358 2.7530 0.00000
359 2.8019 0.00000
360 2.8225 0.00000
361 2.9373 0.00000
362 3.0768 0.00000
363 3.0973 0.00000
364 3.1842 0.00000
365 3.2179 0.00000
366 3.2602 0.00000
367 3.3936 0.00000
368 3.4335 0.00000
369 3.5062 0.00000
370 3.5881 0.00000
371 3.6116 0.00000
372 3.6252 0.00000
373 3.6904 0.00000
374 3.7314 0.00000
375 3.8267 0.00000
376 3.8504 0.00000
377 3.8711 0.00000
378 3.9341 0.00000
379 4.0090 0.00000
380 4.0141 0.00000
381 4.0401 0.00000
382 4.1315 0.00000
383 4.1863 0.00000
384 4.1981 0.00000
385 4.3311 0.00000
386 4.3361 0.00000
387 4.3436 0.00000
388 4.4237 0.00000
389 4.4261 0.00000
390 4.4680 0.00000
391 4.4807 0.00000
392 4.5919 0.00000
393 4.6169 0.00000
394 4.6456 0.00000
395 4.6682 0.00000
396 4.7153 0.00000
397 4.7829 0.00000
398 4.7885 0.00000
399 4.8224 0.00000
400 4.8347 0.00000
401 4.8799 0.00000
402 4.9218 0.00000
403 4.9346 0.00000
404 5.0284 0.00000
405 5.0544 0.00000
406 5.0544 0.00000
407 5.2137 0.00000
408 5.2247 0.00000
409 5.2435 0.00000
410 5.2475 0.00000
411 5.3366 0.00000
412 5.4386 0.00000
413 5.4394 0.00000
414 5.4774 0.00000
415 5.5069 0.00000
416 5.6997 0.00000
417 5.7175 0.00000
418 5.7539 0.00000
419 5.8091 0.00000
420 5.8478 0.00000
421 5.9962 0.00000
422 6.0245 0.00000
423 6.0345 0.00000
424 6.1053 0.00000
425 6.1113 0.00000
426 6.1372 0.00000
427 6.1380 0.00000
428 6.2371 0.00000
429 6.2975 0.00000
430 6.3085 0.00000
431 6.4593 0.00000
432 6.4983 0.00000
433 6.5854 0.00000
434 6.6820 0.00000
435 6.6878 0.00000
436 6.7487 0.00000
437 6.8226 0.00000
438 6.8436 0.00000
439 6.9117 0.00000
440 6.9687 0.00000
441 7.0476 0.00000
442 7.1575 0.00000
443 7.2075 0.00000
444 7.2337 0.00000
445 7.2343 0.00000
446 7.2472 0.00000
447 7.3210 0.00000
448 7.3433 0.00000
449 7.3613 0.00000
450 7.4837 0.00000
451 7.5033 0.00000
452 7.5125 0.00000
453 7.6844 0.00000
454 7.6897 0.00000
455 7.6967 0.00000
456 7.7049 0.00000
457 7.8230 0.00000
458 7.8830 0.00000
459 8.0247 0.00000
460 8.0644 0.00000
461 8.0751 0.00000
462 8.1134 0.00000
463 8.1256 0.00000
464 8.1851 0.00000
465 8.2259 0.00000
466 8.2572 0.00000
467 8.2730 0.00000
468 8.4515 0.00000
469 8.5072 0.00000
470 8.5740 0.00000
471 8.6090 0.00000
472 8.6096 0.00000
473 8.6277 0.00000
474 8.6555 0.00000
475 8.6893 0.00000
476 8.7229 0.00000
477 8.7416 0.00000
478 8.7761 0.00000
479 8.7830 0.00000
480 8.7839 0.00000
481 8.8314 0.00000
482 8.8317 0.00000
483 8.9197 0.00000
484 8.9534 0.00000
485 9.0403 0.00000
486 9.0933 0.00000
487 9.1802 0.00000
488 9.1918 0.00000
489 9.2124 0.00000
490 9.2525 0.00000
491 9.2559 0.00000
492 9.2790 0.00000
493 9.3330 0.00000
494 9.3688 0.00000
495 9.4045 0.00000
496 9.4347 0.00000
497 9.5540 0.00000
498 9.5602 0.00000
499 9.5668 0.00000
500 9.6164 0.00000
501 9.6542 0.00000
502 9.6696 0.00000
503 9.6925 0.00000
504 9.7385 0.00000
505 9.7395 0.00000
506 9.8341 0.00000
507 9.8429 0.00000
508 9.8503 0.00000
509 9.9045 0.00000
510 9.9184 0.00000
511 10.0368 0.00000
512 10.0541 0.00000
513 10.1047 0.00000
514 10.1047 0.00000
515 10.1616 0.00000
516 10.2019 0.00000
517 10.2211 0.00000
518 10.2630 0.00000
519 10.2667 0.00000
520 10.2925 0.00000
521 10.3113 0.00000
522 10.3959 0.00000
523 10.4028 0.00000
524 10.4597 0.00000
525 10.5196 0.00000
526 10.5320 0.00000
527 10.5330 0.00000
528 10.5699 0.00000
529 10.5887 0.00000
530 10.6831 0.00000
531 10.6980 0.00000
532 10.7164 0.00000
533 10.7679 0.00000
534 10.7862 0.00000
535 10.8294 0.00000
536 10.8462 0.00000
537 10.8888 0.00000
538 10.9683 0.00000
539 10.9719 0.00000
540 10.9839 0.00000
541 10.9853 0.00000
542 11.0133 0.00000
543 11.0308 0.00000
544 11.0490 0.00000
545 11.0559 0.00000
546 11.0933 0.00000
547 11.0960 0.00000
548 11.1276 0.00000
549 11.2093 0.00000
550 11.2199 0.00000
551 11.2282 0.00000
552 11.2328 0.00000
553 11.2385 0.00000
554 11.2829 0.00000
555 11.3533 0.00000
556 11.3586 0.00000
557 11.3702 0.00000
558 11.4357 0.00000
559 11.4643 0.00000
560 11.4764 0.00000
561 11.5250 0.00000
562 11.5815 0.00000
563 11.5931 0.00000
564 11.6313 0.00000
565 11.7143 0.00000
566 11.7287 0.00000
567 11.7714 0.00000
568 11.7994 0.00000
569 11.8304 0.00000
570 11.8328 0.00000
571 11.8660 0.00000
572 11.8900 0.00000
573 11.9331 0.00000
574 11.9524 0.00000
575 11.9577 0.00000
576 11.9911 0.00000
577 11.9949 0.00000
578 12.0439 0.00000
579 12.1111 0.00000
580 12.1305 0.00000
581 12.1456 0.00000
582 12.1881 0.00000
583 12.2330 0.00000
584 12.2424 0.00000
585 12.2721 0.00000
586 12.2961 0.00000
587 12.3280 0.00000
588 12.3924 0.00000
589 12.3965 0.00000
590 12.4213 0.00000
591 12.4686 0.00000
592 12.4757 0.00000
593 12.4838 0.00000
594 12.4933 0.00000
595 12.4936 0.00000
596 12.5182 0.00000
597 12.5990 0.00000
598 12.6392 0.00000
599 12.6667 0.00000
600 12.7173 0.00000
601 12.7356 0.00000
602 12.7383 0.00000
603 12.7651 0.00000
604 12.8069 0.00000
605 12.8655 0.00000
606 12.8792 0.00000
607 12.9505 0.00000
608 12.9543 0.00000
609 12.9812 0.00000
610 13.0409 0.00000
611 13.0549 0.00000
612 13.0816 0.00000
613 13.1020 0.00000
614 13.1108 0.00000
615 13.1516 0.00000
616 13.1542 0.00000
617 13.1824 0.00000
618 13.2304 0.00000
619 13.2327 0.00000
620 13.2956 0.00000
621 13.3018 0.00000
622 13.3307 0.00000
623 13.3341 0.00000
624 13.3503 0.00000
625 13.3534 0.00000
626 13.3937 0.00000
627 13.4396 0.00000
628 13.4471 0.00000
629 13.4752 0.00000
630 13.5285 0.00000
631 13.5317 0.00000
632 13.5359 0.00000
633 13.5753 0.00000
634 13.5915 0.00000
635 13.6259 0.00000
636 13.6632 0.00000
637 13.6802 0.00000
638 13.7295 0.00000
639 13.7401 0.00000
640 13.7479 0.00000
641 13.7929 0.00000
642 13.8454 0.00000
643 13.9011 0.00000
644 13.9308 0.00000
645 13.9565 0.00000
646 13.9951 0.00000
647 13.9955 0.00000
648 14.0006 0.00000
649 14.0181 0.00000
650 14.0352 0.00000
651 14.0743 0.00000
652 14.0799 0.00000
653 14.1355 0.00000
654 14.1374 0.00000
655 14.1726 0.00000
656 14.2514 0.00000
657 14.2575 0.00000
658 14.2587 0.00000
659 14.3358 0.00000
660 14.3523 0.00000
661 14.3667 0.00000
662 14.3962 0.00000
663 14.4382 0.00000
664 14.4604 0.00000
665 14.4617 0.00000
666 14.4953 0.00000
667 14.5440 0.00000
668 14.5527 0.00000
669 14.5544 0.00000
670 14.6056 0.00000
671 14.6185 0.00000
672 14.6204 0.00000
673 14.6666 0.00000
674 14.7258 0.00000
675 14.7320 0.00000
676 14.7483 0.00000
677 14.7756 0.00000
678 14.8235 0.00000
679 14.8284 0.00000
680 14.8361 0.00000
681 14.8535 0.00000
682 14.9086 0.00000
683 14.9108 0.00000
684 14.9838 0.00000
685 15.0174 0.00000
686 15.0207 0.00000
687 15.0357 0.00000
688 15.0902 0.00000
689 15.1147 0.00000
690 15.1626 0.00000
691 15.1867 0.00000
692 15.1889 0.00000
693 15.1960 0.00000
694 15.2091 0.00000
695 15.2671 0.00000
696 15.2918 0.00000
697 15.3107 0.00000
698 15.3365 0.00000
699 15.3757 0.00000
700 15.3906 0.00000
701 15.4201 0.00000
702 15.4374 0.00000
703 15.4697 0.00000
704 15.4823 0.00000
705 15.5201 0.00000
706 15.5463 0.00000
707 15.5699 0.00000
708 15.5983 0.00000
709 15.6122 0.00000
710 15.6331 0.00000
711 15.6474 0.00000
712 15.6635 0.00000
713 15.7264 0.00000
714 15.7417 0.00000
715 15.7462 0.00000
716 15.7860 0.00000
717 15.7942 0.00000
718 15.8598 0.00000
719 15.8660 0.00000
720 15.8904 0.00000
721 15.9238 0.00000
722 15.9406 0.00000
723 15.9682 0.00000
724 16.0135 0.00000
725 16.0236 0.00000
726 16.0475 0.00000
727 16.0754 0.00000
728 16.0917 0.00000
729 16.1143 0.00000
730 16.1308 0.00000
731 16.1768 0.00000
732 16.1942 0.00000
733 16.2661 0.00000
734 16.2906 0.00000
735 16.2964 0.00000
736 16.3194 0.00000
737 16.3533 0.00000
738 16.3839 0.00000
739 16.3941 0.00000
740 16.4114 0.00000
741 16.4269 0.00000
742 16.4969 0.00000
743 16.5151 0.00000
744 16.5796 0.00000
745 16.5868 0.00000
746 16.6466 0.00000
747 16.6829 0.00000
748 16.6969 0.00000
749 16.7163 0.00000
750 16.7315 0.00000
751 16.7516 0.00000
752 16.7527 0.00000
753 16.7830 0.00000
754 16.8032 0.00000
755 16.8071 0.00000
756 16.8461 0.00000
757 16.8583 0.00000
758 16.8821 0.00000
759 16.9106 0.00000
760 16.9178 0.00000
761 16.9475 0.00000
762 16.9836 0.00000
763 16.9869 0.00000
764 17.0142 0.00000
765 17.0148 0.00000
766 17.0432 0.00000
767 17.0506 0.00000
768 17.0727 0.00000
769 17.1247 0.00000
770 17.1460 0.00000
771 17.1895 0.00000
772 17.1962 0.00000
773 17.2068 0.00000
774 17.2261 0.00000
775 17.2363 0.00000
776 17.2650 0.00000
777 17.2903 0.00000
778 17.2958 0.00000
779 17.3358 0.00000
780 17.3876 0.00000
781 17.4093 0.00000
782 17.4189 0.00000
783 17.4485 0.00000
784 17.4507 0.00000
785 17.5408 0.00000
786 17.5504 0.00000
787 17.5624 0.00000
788 17.5836 0.00000
789 17.6145 0.00000
790 17.6340 0.00000
791 17.6977 0.00000
792 17.7047 0.00000
793 17.7249 0.00000
794 17.7344 0.00000
795 17.7500 0.00000
796 17.7725 0.00000
797 17.8141 0.00000
798 17.8371 0.00000
799 17.8584 0.00000
800 17.8782 0.00000
801 17.8853 0.00000
802 17.8956 0.00000
803 17.9031 0.00000
804 17.9152 0.00000
805 17.9976 0.00000
806 18.0398 0.00000
807 18.0401 0.00000
808 18.0556 0.00000
809 18.1094 0.00000
810 18.1106 0.00000
811 18.1115 0.00000
812 18.1190 0.00000
813 18.1714 0.00000
814 18.1722 0.00000
815 18.2210 0.00000
816 18.2399 0.00000
817 18.2593 0.00000
818 18.3036 0.00000
819 18.3230 0.00000
820 18.3660 0.00000
821 18.4011 0.00000
822 18.4393 0.00000
823 18.4450 0.00000
824 18.4690 0.00000
825 18.4737 0.00000
826 18.4960 0.00000
827 18.5368 0.00000
828 18.6012 0.00000
829 18.6097 0.00000
830 18.6100 0.00000
831 18.6452 0.00000
832 18.6539 0.00000
833 18.6663 0.00000
834 18.7045 0.00000
835 18.7376 0.00000
836 18.7734 0.00000
837 18.7919 0.00000
838 18.8123 0.00000
839 18.8323 0.00000
840 18.8697 0.00000
841 18.8792 0.00000
842 18.8876 0.00000
843 18.9021 0.00000
844 18.9236 0.00000
845 18.9346 0.00000
846 18.9758 0.00000
847 18.9851 0.00000
848 19.0179 0.00000
849 19.0666 0.00000
850 19.0833 0.00000
851 19.1155 0.00000
852 19.1430 0.00000
853 19.1519 0.00000
854 19.1741 0.00000
855 19.1891 0.00000
856 19.2020 0.00000
857 19.2155 0.00000
858 19.2514 0.00000
859 19.3023 0.00000
860 19.3272 0.00000
861 19.3814 0.00000
862 19.3848 0.00000
863 19.4038 0.00000
864 19.4188 0.00000
865 19.4239 0.00000
866 19.4532 0.00000
867 19.4555 0.00000
868 19.4891 0.00000
869 19.5004 0.00000
870 19.5429 0.00000
871 19.5618 0.00000
872 19.5783 0.00000
873 19.5812 0.00000
874 19.5884 0.00000
875 19.6434 0.00000
876 19.6903 0.00000
877 19.6982 0.00000
878 19.7201 0.00000
879 19.7279 0.00000
880 19.7625 0.00000
881 19.8043 0.00000
882 19.8055 0.00000
883 19.8150 0.00000
884 19.8208 0.00000
885 19.8716 0.00000
886 19.9099 0.00000
887 19.9528 0.00000
888 19.9533 0.00000
889 19.9699 0.00000
890 20.0043 0.00000
891 20.0132 0.00000
892 20.0170 0.00000
893 20.0501 0.00000
894 20.0558 0.00000
895 20.0764 0.00000
896 20.1250 0.00000
897 20.1268 0.00000
898 20.1327 0.00000
899 20.1761 0.00000
900 20.2109 0.00000
901 20.2278 0.00000
902 20.2283 0.00000
903 20.2653 0.00000
904 20.2976 0.00000
905 20.2993 0.00000
906 20.3316 0.00000
907 20.3653 0.00000
908 20.3785 0.00000
909 20.4107 0.00000
910 20.4272 0.00000
911 20.4569 0.00000
912 20.4577 0.00000
913 20.4789 0.00000
914 20.5042 0.00000
915 20.5103 0.00000
916 20.5369 0.00000
917 20.5384 0.00000
918 20.5696 0.00000
919 20.6087 0.00000
920 20.6136 0.00000
921 20.6433 0.00000
922 20.6645 0.00000
923 20.6682 0.00000
924 20.6819 0.00000
925 20.7295 0.00000
926 20.7449 0.00000
927 20.7837 0.00000
928 20.7840 0.00000
929 20.7874 0.00000
930 20.8373 0.00000
931 20.8405 0.00000
932 20.8415 0.00000
933 20.8854 0.00000
934 20.9178 0.00000
935 20.9451 0.00000
936 20.9530 0.00000
937 20.9896 0.00000
938 20.9929 0.00000
939 21.0204 0.00000
940 21.0329 0.00000
941 21.0655 0.00000
942 21.0663 0.00000
943 21.0772 0.00000
944 21.0969 0.00000
945 21.1281 0.00000
946 21.1592 0.00000
947 21.1664 0.00000
948 21.2129 0.00000
949 21.2230 0.00000
950 21.2264 0.00000
951 21.2451 0.00000
952 21.2598 0.00000
953 21.2943 0.00000
954 21.3115 0.00000
955 21.3290 0.00000
956 21.3438 0.00000
957 21.3718 0.00000
958 21.3745 0.00000
959 21.3748 0.00000
960 21.4195 0.00000
961 21.4427 0.00000
962 21.4492 0.00000
963 21.4799 0.00000
964 21.5079 0.00000
965 21.5089 0.00000
966 21.5326 0.00000
967 21.5394 0.00000
968 21.5639 0.00000
969 21.5749 0.00000
970 21.6203 0.00000
971 21.6233 0.00000
972 21.6534 0.00000
973 21.6870 0.00000
974 21.7004 0.00000
975 21.7109 0.00000
976 21.7402 0.00000
977 21.7491 0.00000
978 21.7940 0.00000
979 21.8089 0.00000
980 21.8094 0.00000
981 21.8181 0.00000
982 21.8672 0.00000
983 21.8858 0.00000
984 21.8979 0.00000
985 21.9025 0.00000
986 21.9254 0.00000
987 21.9438 0.00000
988 21.9646 0.00000
989 21.9733 0.00000
990 21.9951 0.00000
991 22.0331 0.00000
992 22.0339 0.00000
993 22.0852 0.00000
994 22.0965 0.00000
995 22.1001 0.00000
996 22.1166 0.00000
997 22.1582 0.00000
998 22.1747 0.00000
999 22.1759 0.00000
1000 22.2419 0.00000
1001 22.2458 0.00000
1002 22.2480 0.00000
1003 22.2785 0.00000
1004 22.2911 0.00000
1005 22.2952 0.00000
1006 22.3192 0.00000
1007 22.3612 0.00000
1008 22.3622 0.00000
1009 22.3724 0.00000
1010 22.3758 0.00000
1011 22.3859 0.00000
1012 22.4464 0.00000
1013 22.4600 0.00000
1014 22.5073 0.00000
1015 22.5182 0.00000
1016 22.5202 0.00000
1017 22.5259 0.00000
1018 22.5720 0.00000
1019 22.6039 0.00000
1020 22.6395 0.00000
1021 22.6456 0.00000
1022 22.6487 0.00000
1023 22.6493 0.00000
1024 22.6806 0.00000
1025 22.7057 0.00000
1026 22.7359 0.00000
1027 22.7662 0.00000
1028 22.7715 0.00000
1029 22.7844 0.00000
1030 22.7991 0.00000
1031 22.8455 0.00000
1032 22.8456 0.00000
1033 22.8536 0.00000
1034 22.8583 0.00000
1035 22.8796 0.00000
1036 22.9677 0.00000
1037 22.9955 0.00000
1038 23.0022 0.00000
1039 23.0231 0.00000
1040 23.0338 0.00000
1041 23.0717 0.00000
1042 23.0839 0.00000
1043 23.0924 0.00000
1044 23.1217 0.00000
1045 23.1562 0.00000
1046 23.1661 0.00000
1047 23.1954 0.00000
1048 23.2160 0.00000
1049 23.2277 0.00000
1050 23.2349 0.00000
1051 23.2666 0.00000
1052 23.2975 0.00000
1053 23.3007 0.00000
1054 23.3112 0.00000
1055 23.3485 0.00000
1056 23.3737 0.00000
1057 23.3757 0.00000
1058 23.3818 0.00000
1059 23.3911 0.00000
1060 23.4383 0.00000
1061 23.4416 0.00000
1062 23.4524 0.00000
1063 23.4944 0.00000
1064 23.5039 0.00000
1065 23.5166 0.00000
1066 23.5392 0.00000
1067 23.5461 0.00000
1068 23.5802 0.00000
1069 23.6288 0.00000
1070 23.6681 0.00000
1071 23.7089 0.00000
1072 23.7199 0.00000
1073 23.7211 0.00000
1074 23.7340 0.00000
1075 23.7795 0.00000
1076 23.7870 0.00000
1077 23.8155 0.00000
1078 23.8176 0.00000
1079 23.8390 0.00000
1080 23.8627 0.00000
1081 23.8813 0.00000
1082 23.8951 0.00000
1083 23.9234 0.00000
1084 23.9332 0.00000
1085 23.9373 0.00000
1086 23.9435 0.00000
1087 23.9967 0.00000
1088 24.0217 0.00000
1089 24.0380 0.00000
1090 24.0576 0.00000
1091 24.0708 0.00000
1092 24.0944 0.00000
1093 24.1351 0.00000
1094 24.1683 0.00000
1095 24.1850 0.00000
1096 24.2155 0.00000
1097 24.2492 0.00000
1098 24.2683 0.00000
1099 24.2742 0.00000
1100 24.2842 0.00000
1101 24.3054 0.00000
1102 24.3261 0.00000
1103 24.3524 0.00000
1104 24.3694 0.00000
1105 24.4017 0.00000
1106 24.4259 0.00000
1107 24.4476 0.00000
1108 24.4589 0.00000
1109 24.4836 0.00000
1110 24.5020 0.00000
1111 24.5124 0.00000
1112 24.5399 0.00000
1113 24.5530 0.00000
1114 24.5817 0.00000
1115 24.5912 0.00000
1116 24.6093 0.00000
1117 24.6414 0.00000
1118 24.6638 0.00000
1119 24.7261 0.00000
1120 24.7324 0.00000
1121 24.7578 0.00000
1122 24.7890 0.00000
1123 24.8057 0.00000
1124 24.8377 0.00000
1125 24.8566 0.00000
1126 24.8663 0.00000
1127 24.8904 0.00000
1128 24.9412 0.00000
1129 24.9572 0.00000
1130 24.9847 0.00000
1131 25.0000 0.00000
1132 25.0320 0.00000
1133 25.0599 0.00000
1134 25.0680 0.00000
1135 25.1056 0.00000
1136 25.1210 0.00000
1137 25.1504 0.00000
1138 25.1913 0.00000
1139 25.2088 0.00000
1140 25.2472 0.00000
1141 25.2778 0.00000
1142 25.3051 0.00000
1143 25.3233 0.00000
1144 25.3476 0.00000
1145 25.3783 0.00000
1146 25.3981 0.00000
1147 25.4432 0.00000
1148 25.4802 0.00000
1149 25.5238 0.00000
1150 25.5789 0.00000
1151 25.6670 0.00000
1152 25.7231 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
-22.735 0.037 0.012 0.003 0.011 7.101 -0.022 -0.007
0.037 -22.819 0.006 -0.015 0.006 -0.022 7.147 -0.003
0.012 0.006 -22.843 0.014 -0.002 -0.007 -0.003 7.162
0.003 -0.015 0.014 -22.819 0.034 -0.001 0.008 -0.009
0.011 0.006 -0.002 0.034 -22.730 -0.006 -0.004 0.000
7.101 -0.022 -0.007 -0.001 -0.006 4.299 0.006 0.004
-0.022 7.147 -0.003 0.008 -0.004 0.006 4.279 0.000
-0.007 -0.003 7.162 -0.009 0.000 0.004 0.000 4.274
-0.001 0.008 -0.009 7.149 -0.021 0.000 -0.003 0.004
-0.006 -0.004 0.000 -0.021 7.098 -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 -0.028
0.019 -0.009 0.005 -0.000 0.007 -0.001 0.003 0.001
-0.000 -0.008 -0.010 0.019 -0.000 -0.000 -0.000 0.007
-0.009 -0.000 -0.011 -0.010 0.019 -0.002 -0.000 0.001
0.032 -0.014 0.008 -0.000 0.013 0.002 0.003 0.002
-0.000 -0.013 -0.016 0.032 -0.000 -0.000 -0.002 0.010
-0.014 -0.000 -0.018 -0.014 0.032 -0.007 -0.000 -0.001
pseudopotential strength for first ion, spin component: 2
-22.735 0.037 0.012 0.003 0.011 7.101 -0.022 -0.007
0.037 -22.819 0.006 -0.015 0.006 -0.022 7.147 -0.003
0.012 0.006 -22.843 0.014 -0.002 -0.007 -0.003 7.162
0.003 -0.015 0.014 -22.819 0.034 -0.001 0.008 -0.009
0.011 0.006 -0.002 0.034 -22.730 -0.006 -0.004 0.000
7.101 -0.022 -0.007 -0.001 -0.006 4.299 0.006 0.004
-0.022 7.147 -0.003 0.008 -0.004 0.006 4.279 0.000
-0.007 -0.003 7.162 -0.009 0.000 0.004 0.000 4.274
-0.001 0.008 -0.009 7.149 -0.021 0.000 -0.003 0.004
-0.006 -0.004 0.000 -0.021 7.098 -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 -0.028
0.019 -0.009 0.005 -0.000 0.007 -0.001 0.003 0.001
-0.000 -0.008 -0.010 0.019 -0.000 -0.000 -0.000 0.007
-0.009 -0.000 -0.011 -0.010 0.019 -0.002 -0.000 0.001
0.032 -0.014 0.008 -0.000 0.013 0.002 0.003 0.002
-0.000 -0.013 -0.016 0.032 -0.000 -0.000 -0.002 0.010
-0.014 -0.000 -0.018 -0.014 0.032 -0.007 -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 ----------------------------------------
-----------------------------------------------------------------------------
| |
| 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) -13.29329
E6 (eV) : -7.4839
E8 (eV) : -5.8094
% 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
-----------------------------------------------------------------------------------------------
0.243E+03 -.103E+03 -.330E+04 -.257E+03 0.109E+03 0.331E+04 0.131E+02 -.607E+01 -.462E+01 0.217E-01 -.959E-02 -.211E-01
-.244E+03 -.103E+03 -.330E+04 0.257E+03 0.109E+03 0.331E+04 -.131E+02 -.607E+01 -.461E+01 -.654E-03 -.115E-01 -.510E-02
-.265E+03 -.505E+02 0.335E+04 0.278E+03 0.562E+02 -.335E+04 -.132E+02 -.560E+01 0.560E+01 -.321E-02 0.138E-01 -.370E-01
0.265E+03 -.505E+02 0.335E+04 -.278E+03 0.562E+02 -.335E+04 0.132E+02 -.560E+01 0.558E+01 0.147E-01 0.249E-02 -.259E-01
0.244E+03 -.103E+03 -.330E+04 -.257E+03 0.109E+03 0.331E+04 0.131E+02 -.607E+01 -.462E+01 -.126E-02 -.181E-01 0.410E-01
-.244E+03 -.103E+03 -.330E+04 0.257E+03 0.109E+03 0.331E+04 -.131E+02 -.608E+01 -.461E+01 0.718E-02 -.127E-01 0.172E-01
-.265E+03 -.506E+02 0.335E+04 0.278E+03 0.562E+02 -.335E+04 -.132E+02 -.560E+01 0.560E+01 0.117E-01 0.200E-01 -.636E-01
0.265E+03 -.505E+02 0.335E+04 -.279E+03 0.562E+02 -.335E+04 0.132E+02 -.560E+01 0.558E+01 -.633E-02 -.786E-03 -.520E-01
0.243E+03 -.103E+03 -.330E+04 -.257E+03 0.109E+03 0.331E+04 0.131E+02 -.607E+01 -.462E+01 0.217E-01 -.959E-02 -.211E-01
-.244E+03 -.103E+03 -.330E+04 0.257E+03 0.109E+03 0.331E+04 -.131E+02 -.607E+01 -.461E+01 -.655E-03 -.115E-01 -.510E-02
-.265E+03 -.505E+02 0.335E+04 0.278E+03 0.562E+02 -.335E+04 -.132E+02 -.560E+01 0.560E+01 -.321E-02 0.138E-01 -.370E-01
0.265E+03 -.505E+02 0.335E+04 -.278E+03 0.562E+02 -.335E+04 0.132E+02 -.560E+01 0.558E+01 0.147E-01 0.249E-02 -.259E-01
0.244E+03 -.103E+03 -.330E+04 -.257E+03 0.109E+03 0.331E+04 0.131E+02 -.607E+01 -.462E+01 -.127E-02 -.181E-01 0.410E-01
-.244E+03 -.103E+03 -.330E+04 0.257E+03 0.109E+03 0.331E+04 -.131E+02 -.608E+01 -.461E+01 0.718E-02 -.127E-01 0.172E-01
-.265E+03 -.506E+02 0.335E+04 0.278E+03 0.562E+02 -.335E+04 -.132E+02 -.560E+01 0.560E+01 0.117E-01 0.200E-01 -.636E-01
0.265E+03 -.505E+02 0.335E+04 -.279E+03 0.562E+02 -.335E+04 0.132E+02 -.560E+01 0.558E+01 -.633E-02 -.786E-03 -.520E-01
0.491E+02 -.756E+01 -.255E+02 -.492E+02 0.764E+01 0.253E+02 0.215E+00 -.139E+00 0.102E+00 -.105E-02 -.145E-01 0.272E-01
-.489E+02 -.745E+01 -.264E+02 0.490E+02 0.753E+01 0.262E+02 -.218E+00 -.138E+00 0.110E+00 -.565E-02 -.439E-02 0.168E-01
0.492E+02 -.755E+01 -.254E+02 -.493E+02 0.764E+01 0.252E+02 0.215E+00 -.137E+00 0.916E-01 0.264E-02 -.249E-01 0.761E-01
-.488E+02 -.741E+01 -.263E+02 0.489E+02 0.747E+01 0.262E+02 -.216E+00 -.141E+00 0.997E-01 -.198E-01 0.121E-01 0.471E-01
0.491E+02 -.756E+01 -.255E+02 -.492E+02 0.764E+01 0.253E+02 0.215E+00 -.139E+00 0.102E+00 -.105E-02 -.145E-01 0.272E-01
-.489E+02 -.745E+01 -.264E+02 0.490E+02 0.753E+01 0.262E+02 -.218E+00 -.138E+00 0.110E+00 -.565E-02 -.439E-02 0.168E-01
0.492E+02 -.755E+01 -.254E+02 -.493E+02 0.764E+01 0.252E+02 0.215E+00 -.137E+00 0.916E-01 0.264E-02 -.249E-01 0.761E-01
-.488E+02 -.741E+01 -.263E+02 0.489E+02 0.747E+01 0.262E+02 -.216E+00 -.141E+00 0.997E-01 -.198E-01 0.121E-01 0.471E-01
-.152E+03 0.202E+02 0.786E+03 0.169E+03 -.251E+02 -.803E+03 -.168E+02 0.486E+01 0.167E+02 -.101E-01 0.297E-02 0.143E-02
0.151E+03 0.201E+02 0.786E+03 -.168E+03 -.250E+02 -.803E+03 0.168E+02 0.484E+01 0.167E+02 0.105E-01 0.512E-02 0.892E-02
0.975E+02 -.277E+01 0.497E+03 -.112E+03 0.773E+01 -.501E+03 0.140E+02 -.486E+01 0.405E+01 0.173E-01 -.117E-01 0.212E-01
-.975E+02 -.306E+01 0.497E+03 0.112E+03 0.799E+01 -.501E+03 -.141E+02 -.485E+01 0.400E+01 -.126E-01 -.843E-02 0.557E-02
-.757E+02 -.119E+03 -.450E+03 0.871E+02 0.135E+03 0.452E+03 -.114E+02 -.155E+02 -.189E+01 -.132E-01 -.189E-01 -.866E-03
0.755E+02 -.120E+03 -.450E+03 -.870E+02 0.136E+03 0.452E+03 0.114E+02 -.156E+02 -.192E+01 0.419E-02 -.136E-01 0.180E-01
0.248E+02 0.102E+03 -.830E+03 -.291E+02 -.115E+03 0.848E+03 0.432E+01 0.132E+02 -.179E+02 0.133E-01 0.160E-01 -.183E-01
-.246E+02 0.102E+03 -.830E+03 0.290E+02 -.115E+03 0.848E+03 -.434E+01 0.132E+02 -.179E+02 -.812E-02 0.664E-02 0.191E-02
0.111E+03 0.749E+02 -.157E+04 -.122E+03 -.853E+02 0.159E+04 0.107E+02 0.104E+02 -.111E+02 -.614E-02 0.979E-02 0.149E-01
-.111E+03 0.749E+02 -.157E+04 0.122E+03 -.853E+02 0.159E+04 -.107E+02 0.104E+02 -.111E+02 -.309E-02 -.195E-02 0.150E-01
0.125E+03 0.798E+02 0.155E+04 -.136E+03 -.907E+02 -.156E+04 0.109E+02 0.109E+02 0.952E+01 0.867E-02 0.915E-03 -.126E-01
-.125E+03 0.795E+02 0.155E+04 0.136E+03 -.904E+02 -.156E+04 -.109E+02 0.109E+02 0.952E+01 -.267E-02 -.590E-02 -.901E-02
-.152E+03 0.201E+02 0.786E+03 0.168E+03 -.250E+02 -.803E+03 -.168E+02 0.485E+01 0.167E+02 -.125E-01 0.842E-02 0.130E-01
0.151E+03 0.201E+02 0.786E+03 -.168E+03 -.250E+02 -.803E+03 0.168E+02 0.484E+01 0.167E+02 0.157E-01 0.488E-02 0.155E-01
0.976E+02 -.278E+01 0.497E+03 -.112E+03 0.773E+01 -.501E+03 0.140E+02 -.486E+01 0.405E+01 0.852E-02 -.473E-02 0.243E-01
-.975E+02 -.308E+01 0.497E+03 0.112E+03 0.801E+01 -.501E+03 -.141E+02 -.485E+01 0.400E+01 -.134E-01 -.101E-01 0.149E-01
-.757E+02 -.120E+03 -.450E+03 0.872E+02 0.135E+03 0.452E+03 -.114E+02 -.156E+02 -.189E+01 -.387E-02 -.706E-02 0.157E-02
0.755E+02 -.120E+03 -.450E+03 -.870E+02 0.135E+03 0.452E+03 0.114E+02 -.156E+02 -.192E+01 0.582E-02 -.249E-01 0.111E-01
0.247E+02 0.102E+03 -.830E+03 -.291E+02 -.115E+03 0.848E+03 0.432E+01 0.132E+02 -.179E+02 -.165E-02 0.157E-01 0.444E-04
-.246E+02 0.102E+03 -.830E+03 0.290E+02 -.115E+03 0.848E+03 -.434E+01 0.132E+02 -.179E+02 -.125E-01 0.218E-01 -.214E-01
0.111E+03 0.748E+02 -.157E+04 -.122E+03 -.853E+02 0.159E+04 0.107E+02 0.104E+02 -.111E+02 0.619E-02 -.340E-02 -.107E-01
-.111E+03 0.749E+02 -.157E+04 0.122E+03 -.854E+02 0.159E+04 -.107E+02 0.105E+02 -.111E+02 0.736E-02 0.529E-02 -.753E-02
0.125E+03 0.798E+02 0.155E+04 -.136E+03 -.907E+02 -.156E+04 0.109E+02 0.109E+02 0.952E+01 0.526E-02 0.680E-02 -.833E-02
-.125E+03 0.795E+02 0.155E+04 0.136E+03 -.904E+02 -.156E+04 -.109E+02 0.109E+02 0.952E+01 -.106E-02 -.723E-04 -.401E-02
-.152E+03 0.202E+02 0.786E+03 0.169E+03 -.251E+02 -.803E+03 -.168E+02 0.486E+01 0.167E+02 -.101E-01 0.297E-02 0.143E-02
0.151E+03 0.201E+02 0.786E+03 -.168E+03 -.250E+02 -.803E+03 0.168E+02 0.484E+01 0.167E+02 0.105E-01 0.512E-02 0.892E-02
0.975E+02 -.277E+01 0.497E+03 -.112E+03 0.773E+01 -.501E+03 0.140E+02 -.486E+01 0.405E+01 0.173E-01 -.117E-01 0.212E-01
-.975E+02 -.306E+01 0.497E+03 0.112E+03 0.799E+01 -.501E+03 -.141E+02 -.485E+01 0.400E+01 -.126E-01 -.843E-02 0.557E-02
-.757E+02 -.119E+03 -.450E+03 0.871E+02 0.135E+03 0.452E+03 -.114E+02 -.155E+02 -.189E+01 -.132E-01 -.189E-01 -.867E-03
0.755E+02 -.120E+03 -.450E+03 -.870E+02 0.136E+03 0.452E+03 0.114E+02 -.156E+02 -.192E+01 0.419E-02 -.136E-01 0.180E-01
0.248E+02 0.102E+03 -.830E+03 -.291E+02 -.115E+03 0.848E+03 0.432E+01 0.132E+02 -.179E+02 0.133E-01 0.160E-01 -.183E-01
-.246E+02 0.102E+03 -.830E+03 0.290E+02 -.115E+03 0.848E+03 -.434E+01 0.132E+02 -.179E+02 -.812E-02 0.664E-02 0.191E-02
0.111E+03 0.749E+02 -.157E+04 -.122E+03 -.853E+02 0.159E+04 0.107E+02 0.104E+02 -.111E+02 -.614E-02 0.979E-02 0.149E-01
-.111E+03 0.749E+02 -.157E+04 0.122E+03 -.853E+02 0.159E+04 -.107E+02 0.104E+02 -.111E+02 -.309E-02 -.195E-02 0.150E-01
0.125E+03 0.798E+02 0.155E+04 -.136E+03 -.907E+02 -.156E+04 0.109E+02 0.109E+02 0.952E+01 0.867E-02 0.915E-03 -.126E-01
-.125E+03 0.795E+02 0.155E+04 0.136E+03 -.904E+02 -.156E+04 -.109E+02 0.109E+02 0.952E+01 -.267E-02 -.590E-02 -.901E-02
-.152E+03 0.201E+02 0.786E+03 0.168E+03 -.250E+02 -.803E+03 -.168E+02 0.485E+01 0.167E+02 -.125E-01 0.842E-02 0.130E-01
0.151E+03 0.201E+02 0.786E+03 -.168E+03 -.250E+02 -.803E+03 0.168E+02 0.484E+01 0.167E+02 0.157E-01 0.488E-02 0.155E-01
0.976E+02 -.278E+01 0.497E+03 -.112E+03 0.773E+01 -.501E+03 0.140E+02 -.486E+01 0.405E+01 0.852E-02 -.473E-02 0.243E-01
-.975E+02 -.308E+01 0.497E+03 0.112E+03 0.801E+01 -.501E+03 -.141E+02 -.485E+01 0.400E+01 -.134E-01 -.101E-01 0.149E-01
-.757E+02 -.120E+03 -.450E+03 0.872E+02 0.135E+03 0.452E+03 -.114E+02 -.156E+02 -.189E+01 -.387E-02 -.706E-02 0.157E-02
0.755E+02 -.120E+03 -.450E+03 -.870E+02 0.135E+03 0.452E+03 0.114E+02 -.156E+02 -.192E+01 0.582E-02 -.249E-01 0.111E-01
0.247E+02 0.102E+03 -.830E+03 -.291E+02 -.115E+03 0.848E+03 0.432E+01 0.132E+02 -.179E+02 -.165E-02 0.157E-01 0.444E-04
-.246E+02 0.102E+03 -.830E+03 0.290E+02 -.115E+03 0.848E+03 -.434E+01 0.132E+02 -.179E+02 -.125E-01 0.218E-01 -.214E-01
0.111E+03 0.748E+02 -.157E+04 -.122E+03 -.853E+02 0.159E+04 0.107E+02 0.104E+02 -.111E+02 0.619E-02 -.340E-02 -.107E-01
-.111E+03 0.749E+02 -.157E+04 0.122E+03 -.854E+02 0.159E+04 -.107E+02 0.105E+02 -.111E+02 0.736E-02 0.529E-02 -.753E-02
0.125E+03 0.798E+02 0.155E+04 -.136E+03 -.907E+02 -.156E+04 0.109E+02 0.109E+02 0.952E+01 0.526E-02 0.680E-02 -.833E-02
-.125E+03 0.795E+02 0.155E+04 0.136E+03 -.904E+02 -.156E+04 -.109E+02 0.109E+02 0.952E+01 -.106E-02 -.722E-04 -.401E-02
-----------------------------------------------------------------------------------------------
0.184E+00 -.570E+02 -.349E+01 -.284E-13 0.142E-11 0.523E-11 -.328E+00 0.571E+02 0.324E+01 0.437E-01 -.109E+00 0.191E+00
POSITION TOTAL-FORCE (eV/Angst)
-----------------------------------------------------------------------------------
5.51898 2.41057 7.01110 -0.003801 -0.017957 -0.008206
2.57905 5.09676 7.01166 0.005199 -0.017023 -0.008063
10.66929 3.48280 1.02544 0.001091 0.013229 -0.001335
2.82629 0.79691 1.02511 -0.000543 0.012401 0.000433
0.12047 2.41051 7.01107 -0.006463 -0.016180 -0.007581
7.97757 5.09677 7.01157 0.007992 -0.016264 -0.008760
5.27062 3.48275 1.02544 0.001825 0.014861 0.000422
8.22493 0.79694 1.02501 -0.003374 0.011824 -0.000447
5.51898 7.78307 7.01110 -0.003801 -0.017957 -0.008206
2.57905 10.46926 7.01166 0.005199 -0.017023 -0.008063
10.66929 8.85530 1.02544 0.001091 0.013229 -0.001335
2.82629 6.16941 1.02511 -0.000543 0.012401 0.000433
0.12047 7.78301 7.01107 -0.006463 -0.016180 -0.007581
7.97757 10.46927 7.01157 0.007992 -0.016264 -0.008760
5.27062 8.85525 1.02544 0.001825 0.014861 0.000422
8.22493 6.16944 1.02501 -0.003374 0.011824 -0.000447
2.84749 2.89789 4.03974 0.015059 0.011792 -0.008059
5.25023 0.21203 4.04024 -0.008692 0.010772 -0.014711
8.24620 2.89795 4.03956 0.010147 0.014138 0.001786
10.64877 0.21219 4.03999 -0.015854 0.007507 0.007270
2.84749 8.27039 4.03974 0.015059 0.011792 -0.008059
5.25023 5.58453 4.04024 -0.008692 0.010772 -0.014711
8.24620 8.27045 4.03956 0.010147 0.014138 0.001786
10.64877 5.58469 4.03999 -0.015854 0.007507 0.007270
0.95441 5.16964 2.69208 0.000016 0.000712 0.010233
1.74307 2.48367 2.69225 0.003233 0.001658 0.012677
3.79219 0.85560 3.08887 0.009492 0.003469 0.000712
4.30646 3.54079 3.08936 -0.014709 0.003957 0.003477
0.61052 1.62843 4.92782 -0.007532 -0.011773 -0.015921
2.08978 4.31408 4.92781 0.011608 -0.011158 -0.015725
4.81034 4.48488 5.41130 0.004355 -0.000512 0.005106
3.28934 1.79909 5.41101 -0.000101 -0.002007 0.004185
0.70724 0.47990 7.61467 0.007810 -0.007835 0.010510
1.99228 3.16593 7.61470 -0.006623 -0.007032 0.009850
3.34889 4.20947 0.48123 -0.005277 0.007161 0.002085
4.74764 1.52232 0.48094 -0.000563 0.005650 0.000393
6.35306 5.16956 2.69186 -0.005887 0.002678 0.017074
7.14162 2.48373 2.69225 0.003214 0.000877 0.011470
9.19076 0.85572 3.08872 0.009596 0.002763 -0.001612
9.70506 3.54095 3.08929 -0.012062 0.003899 -0.000481
6.00918 1.62838 4.92787 -0.009743 -0.012513 -0.014402
7.48837 4.31418 4.92771 0.011158 -0.012176 -0.016902
10.20878 4.48488 5.41132 0.008171 0.005733 -0.003541
8.68805 1.79914 5.41087 -0.000909 -0.001668 0.003713
6.10588 0.47990 7.61475 0.004613 -0.005423 0.011197
7.39093 3.16596 7.61456 -0.008973 -0.008888 0.010669
8.74754 4.20951 0.48113 -0.004277 0.006647 0.002055
10.14626 1.52234 0.48087 0.000805 0.006680 0.000426
0.95441 10.54214 2.69208 0.000016 0.000712 0.010233
1.74307 7.85617 2.69225 0.003233 0.001658 0.012677
3.79219 6.22810 3.08887 0.009492 0.003469 0.000712
4.30646 8.91329 3.08936 -0.014709 0.003957 0.003477
0.61052 7.00093 4.92782 -0.007532 -0.011773 -0.015921
2.08978 9.68658 4.92781 0.011608 -0.011158 -0.015725
4.81034 9.85738 5.41130 0.004355 -0.000512 0.005106
3.28934 7.17159 5.41101 -0.000101 -0.002007 0.004185
0.70724 5.85240 7.61467 0.007810 -0.007835 0.010510
1.99228 8.53843 7.61470 -0.006623 -0.007032 0.009850
3.34889 9.58197 0.48123 -0.005277 0.007161 0.002085
4.74764 6.89482 0.48094 -0.000563 0.005650 0.000393
6.35306 10.54206 2.69186 -0.005887 0.002678 0.017074
7.14162 7.85623 2.69225 0.003214 0.000877 0.011470
9.19076 6.22822 3.08872 0.009596 0.002763 -0.001612
9.70506 8.91345 3.08929 -0.012062 0.003899 -0.000481
6.00918 7.00088 4.92787 -0.009743 -0.012513 -0.014402
7.48837 9.68668 4.92771 0.011158 -0.012176 -0.016902
10.20878 9.85738 5.41132 0.008171 0.005733 -0.003541
8.68805 7.17164 5.41087 -0.000909 -0.001668 0.003713
6.10588 5.85240 7.61475 0.004613 -0.005423 0.011197
7.39093 8.53846 7.61456 -0.008973 -0.008888 0.010669
8.74754 9.58201 0.48113 -0.004277 0.006647 0.002055
10.14626 6.89484 0.48087 0.000805 0.006680 0.000426
-----------------------------------------------------------------------------------
total drift: -0.100982 0.007153 -0.060227
--------------------------------------------------------------------------------------------------------
FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
---------------------------------------------------
free energy TOTEN = -524.2708106026 eV
energy without entropy= -524.2708106026 energy(sigma->0) = -524.27081060
--------------------------------------------------------------------------------------------------------
--------------------------------------------------------------------------------------------------------
--------------------------------------------------------------------------------------------------------
plasma frequency squared (from intraband transitions) (eV^2)
--------------------------------------------------------------------------------------
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
electrical conductivity sigma (Mega S m-1) (frequency dependency in vasprun.xml)
--------------------------------------------------------------------------------------
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
plasma frequency squared (from interband transitions, int dw w eps(2)(w)) (eV^2)
--------------------------------------------------------------------------------------
191.183 0.000 -0.001 -0.047 -0.002 -0.013
-0.001 0.047 190.926 0.000 0.624 -0.011
-0.002 0.013 0.624 0.011 193.756 0.000
--------------------------------------------------------------------------------------
sumrule: sum of plasma frequencies squared should yield (valence only): 316.129
Anomalous Hall contribution (eV) 2/pi Imag((f_n-f_m)<u_m| d/dk_a u_n> <u_m| d/dk_b u_n>^*)
--------------------------------------------------------------------------------------
0.000 -0.018 -0.000
0.018 0.000 -0.015
0.000 0.015 0.000
frequency dependent IMAGINARY DIELECTRIC FUNCTION (independent particle, no local field effects) density-density
E(ev) X Y Z XY YZ ZX
--------------------------------------------------------------------------------------------------------------
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
0.40930 0.00511 0.00556 0.00577 0.04254 0.03572 -0.00044
0.81860 0.01077 0.01171 0.01225 0.02335 0.02043 -0.00024
1.22790 0.01770 0.01922 0.02049 0.01712 0.01609 -0.00017
1.63721 0.02725 0.02946 0.03254 0.01469 0.01537 -0.00017
2.04651 0.04270 0.04553 0.05413 0.01424 0.01740 -0.00028
2.45581 0.07861 0.07831 0.11851 0.01592 0.02297 -0.00094
2.86511 0.27467 0.22278 0.51320 0.01582 -0.03726 0.00008
3.27441 0.64115 0.63266 1.15136 0.02765 -0.12841 0.00857
3.68371 1.75515 2.04138 2.37874 0.01039 0.35791 -0.00998
4.09301 2.20984 2.69591 2.57447 0.01670 0.08196 -0.00763
4.50231 2.45432 3.17105 2.57000 -0.01161 0.11283 -0.01842
4.91162 2.83376 3.62606 2.10689 -0.06580 0.16117 0.00617
5.32092 2.68687 3.12691 1.75163 -0.02068 0.00946 0.02725
5.73022 2.65942 2.77717 1.82532 -0.03524 0.06246 0.00210
6.13952 2.44671 2.63676 1.92426 -0.04159 0.16203 0.00120
6.54882 2.53108 2.62593 2.24880 0.03192 0.33995 -0.02102
6.95812 2.46275 2.10536 2.53997 0.00623 0.19091 0.02965
7.36742 2.40061 1.83757 2.57221 -0.01661 0.08371 0.00037
7.77672 2.19431 1.76218 2.74693 0.04962 0.01473 -0.01654
8.18603 1.88298 1.57367 2.45773 0.00232 0.02251 -0.00372
8.59533 1.40779 1.25981 2.00694 -0.02191 0.04554 0.00842
9.00463 1.15395 1.10459 1.30789 -0.00062 0.01924 -0.00008
9.41393 0.99049 1.07526 1.07606 0.01443 0.04491 -0.00160
9.82323 0.90687 0.95981 0.85111 -0.01456 -0.02823 -0.00020
10.23253 0.65251 0.82465 0.66972 0.00071 0.05378 0.00088
10.64183 0.63489 0.73563 0.60103 -0.00176 0.03100 0.00366
11.05114 0.63243 0.69164 0.60306 0.00542 0.02604 0.00143
11.46044 0.64765 0.67097 0.71566 -0.00005 0.03237 -0.00839
11.86974 0.60872 0.67093 0.79784 -0.00087 -0.00460 0.00285
12.27904 0.64865 0.62793 0.85336 -0.00496 -0.05564 0.00258
12.68834 0.65960 0.64585 0.79427 -0.00693 -0.04183 -0.00094
13.09764 0.64823 0.71102 0.75603 0.00332 -0.08931 0.00310
13.50694 0.68900 0.76942 0.76078 0.00230 -0.04787 -0.00393
13.91624 0.72741 0.90283 0.70041 0.00811 0.00242 0.00002
14.32555 0.65540 0.84969 0.67795 0.00796 0.00425 0.00618
14.73485 0.70871 0.77796 0.63838 -0.00355 0.00481 -0.00033
15.14415 0.73647 0.64511 0.59501 0.00222 -0.02995 -0.00413
15.55345 0.68185 0.59589 0.56840 -0.00220 -0.03260 -0.00093
15.96275 0.57615 0.54499 0.56459 -0.00129 -0.05253 -0.00444
16.37205 0.51637 0.52081 0.56016 -0.00483 -0.04827 0.00332
16.78135 0.47523 0.46521 0.50218 -0.00240 -0.03486 -0.00377
17.19065 0.42067 0.44435 0.47738 0.00178 -0.02841 -0.00014
17.59996 0.40363 0.40550 0.43476 0.00511 -0.02306 0.00149
18.00926 0.40258 0.38583 0.42709 -0.00090 -0.03036 0.00267
18.41856 0.36557 0.35704 0.38746 -0.00120 -0.03425 0.00123
18.82786 0.34954 0.35175 0.36500 0.00336 -0.01514 0.00226
19.23716 0.34520 0.32071 0.38151 -0.00217 -0.01043 -0.00112
19.64646 0.34340 0.33240 0.36331 -0.00191 -0.00057 -0.00019
20.05576 0.35953 0.34134 0.35664 0.00201 -0.01154 -0.00351
20.46506 0.35119 0.33531 0.32838 0.00061 -0.00071 0.00134
20.87437 0.31492 0.30496 0.30143 -0.00275 0.00565 -0.00066
21.28367 0.30799 0.28167 0.29590 -0.00253 0.00472 0.00166
21.69297 0.28457 0.26259 0.29071 0.00142 0.00623 0.00182
22.10227 0.28232 0.26359 0.26458 0.00242 0.00020 -0.00278
22.51157 0.26643 0.24697 0.24891 -0.00117 0.00547 -0.00113
22.92087 0.26481 0.23701 0.23801 0.00246 -0.00209 -0.00139
23.33017 0.24912 0.23105 0.23359 -0.00096 0.00244 0.00064
23.73948 0.22946 0.21224 0.22309 -0.00159 0.00627 0.00295
24.14878 0.21797 0.20333 0.21178 0.00192 0.01024 0.00051
24.55808 0.24285 0.22195 0.22694 0.00005 -0.00760 0.00022
24.96738 0.26200 0.24253 0.25236 0.00092 -0.00465 0.00153
25.37668 0.26382 0.24192 0.24867 -0.00089 -0.00118 0.00102
25.78598 0.25422 0.25171 0.25941 -0.00005 -0.01601 -0.00215
26.19528 0.21732 0.23006 0.23325 -0.00026 -0.00116 -0.00127
26.60458 0.23197 0.23784 0.24429 -0.00120 -0.00412 -0.00193
27.01389 0.20576 0.20829 0.22363 0.00333 0.00122 -0.00031
27.42319 0.18741 0.19102 0.19374 -0.00210 0.00048 0.00039
27.83249 0.17131 0.17296 0.17697 0.00018 -0.00222 -0.00044
28.24179 0.16506 0.16045 0.16462 -0.00114 -0.00119 0.00023
28.65109 0.16119 0.14980 0.17284 0.00095 -0.00630 0.00066
29.06039 0.15539 0.13209 0.15684 0.00017 0.00309 -0.00088
29.46969 0.12171 0.10327 0.11634 -0.00016 -0.00340 0.00009
29.87899 0.08274 0.08120 0.08457 0.00057 -0.00228 0.00063
30.28830 0.06621 0.06439 0.06050 -0.00023 -0.00315 -0.00012
30.69760 0.05832 0.05611 0.05331 0.00016 -0.00291 -0.00018
31.10690 0.05285 0.05247 0.05049 0.00009 -0.00358 -0.00008
31.51620 0.04789 0.04354 0.04102 0.00009 -0.00407 0.00007
31.92550 0.04073 0.03827 0.03480 -0.00005 -0.00203 0.00009
32.33480 0.03928 0.03489 0.03100 0.00043 -0.00150 0.00015
32.74410 0.03571 0.03272 0.02986 0.00008 -0.00113 -0.00016
33.15341 0.03619 0.03448 0.03433 0.00018 -0.00092 -0.00016
33.56271 0.03496 0.03262 0.03592 0.00024 -0.00081 0.00014
33.97201 0.03711 0.03601 0.03845 0.00025 -0.00070 -0.00017
34.38131 0.03732 0.03695 0.04203 -0.00031 0.00033 0.00006
34.79061 0.04214 0.03959 0.05020 -0.00030 0.00080 0.00006
35.19991 0.03826 0.03717 0.04900 -0.00041 0.00077 0.00007
35.60921 0.04350 0.04279 0.05535 -0.00013 0.00021 -0.00019
36.01851 0.04771 0.04522 0.06026 -0.00027 0.00149 -0.00004
36.42782 0.04486 0.04642 0.05815 0.00022 -0.00019 -0.00004
36.83712 0.04810 0.04778 0.06054 0.00014 -0.00062 0.00054
37.24642 0.05171 0.05517 0.06622 0.00036 0.00154 0.00010
37.65572 0.05386 0.05824 0.06542 0.00046 0.00088 -0.00090
38.06502 0.05528 0.05562 0.06357 0.00014 -0.00008 0.00056
38.47432 0.05958 0.06273 0.06598 -0.00065 0.00099 0.00021
38.88362 0.06490 0.06221 0.07122 -0.00001 0.00055 0.00051
39.29292 0.06506 0.06759 0.07006 -0.00047 -0.00170 -0.00087
39.70223 0.07001 0.06755 0.06946 0.00038 -0.00137 0.00025
40.11153 0.07029 0.06698 0.06636 0.00025 0.00082 -0.00030
40.52083 0.07721 0.07577 0.07148 0.00100 0.00174 0.00060
40.93013 0.08023 0.08209 0.07721 0.00042 -0.00033 0.00019
41.33943 0.11119 0.10254 0.07750 0.00045 0.00498 -0.00001
41.74873 0.24540 0.27985 0.12962 -0.00010 0.02382 -0.00104
42.15803 0.23679 0.25823 0.19600 -0.00223 0.01181 0.00024
42.56734 0.22263 0.20220 0.15402 0.00227 0.00353 0.00004
42.97664 0.19876 0.14229 0.17499 -0.00190 -0.00060 -0.00240
43.38594 0.15385 0.13596 0.14494 -0.00433 -0.00306 0.00131
43.79524 0.14028 0.13829 0.15520 -0.00068 -0.00717 0.00303
44.20454 0.13906 0.15613 0.14674 0.00034 -0.01325 0.00037
44.61384 0.17355 0.16782 0.16854 0.00013 -0.01042 -0.00466
45.02314 0.16421 0.17387 0.16235 0.00086 -0.01210 0.00265
45.43244 0.13536 0.14948 0.16259 0.00096 0.00022 -0.00073
45.84175 0.11703 0.13757 0.13603 0.00078 0.01312 -0.00028
46.25105 0.10081 0.11143 0.11672 0.00002 0.01046 0.00048
46.66035 0.09630 0.10126 0.11549 -0.00024 0.01068 -0.00099
47.06965 0.07789 0.07930 0.08450 -0.00051 0.00238 0.00062
47.47895 0.08131 0.07764 0.08053 0.00051 0.00366 0.00062
47.88825 0.07232 0.06889 0.07486 0.00010 0.00363 0.00021
48.29755 0.07284 0.06685 0.07026 -0.00062 0.00378 -0.00070
48.70685 0.05901 0.05588 0.06134 0.00028 0.00294 -0.00033
49.11616 0.04275 0.04207 0.04890 0.00002 0.00133 0.00013
49.52546 0.02039 0.02015 0.02491 0.00006 0.00138 0.00002
49.93476 0.00940 0.00976 0.01321 -0.00001 0.00101 0.00006
50.34406 0.00829 0.00982 0.01243 -0.00012 0.00028 -0.00004
50.75336 0.00743 0.00954 0.01111 0.00008 -0.00075 0.00008
51.16266 0.00721 0.00894 0.00989 -0.00007 -0.00187 0.00011
51.57196 0.00826 0.01045 0.01248 -0.00001 -0.00305 0.00011
51.98126 0.00709 0.00903 0.01074 0.00007 -0.00341 -0.00002
52.39057 0.00607 0.00721 0.00989 0.00001 -0.00295 0.00014
52.79987 0.00688 0.00738 0.00998 0.00002 -0.00279 0.00013
53.20917 0.00709 0.00691 0.01003 -0.00004 -0.00201 -0.00006
53.61847 0.00715 0.00725 0.01069 -0.00008 -0.00224 -0.00017
54.02777 0.00892 0.00691 0.01198 0.00009 -0.00211 0.00014
54.43707 0.00787 0.00647 0.01015 0.00002 -0.00125 0.00005
54.84637 0.00722 0.00578 0.00896 -0.00001 -0.00048 -0.00007
55.25568 0.00688 0.00521 0.00897 -0.00001 -0.00029 -0.00002
55.66498 0.00648 0.00597 0.00902 0.00001 0.00019 -0.00002
56.07428 0.00558 0.00573 0.00792 -0.00008 -0.00008 0.00015
56.48358 0.00619 0.00608 0.00878 -0.00001 -0.00052 0.00002
56.89288 0.00480 0.00429 0.00616 0.00005 -0.00037 -0.00001
57.30218 0.00464 0.00458 0.00532 0.00003 -0.00021 0.00002
57.71148 0.00592 0.00502 0.00572 -0.00003 -0.00052 0.00002
58.12078 0.00565 0.00450 0.00506 0.00004 -0.00007 0.00003
58.53009 0.00594 0.00457 0.00522 0.00009 -0.00007 -0.00006
58.93939 0.00578 0.00420 0.00389 -0.00001 0.00008 0.00001
59.34869 0.00546 0.00395 0.00359 -0.00000 0.00005 -0.00001
59.75799 0.00519 0.00446 0.00383 -0.00005 -0.00021 0.00008
60.16729 0.00476 0.00425 0.00340 0.00004 0.00002 -0.00004
60.57659 0.00400 0.00410 0.00340 0.00002 0.00006 0.00006
60.98589 0.00398 0.00392 0.00338 -0.00001 -0.00020 -0.00001
61.39519 0.00352 0.00368 0.00279 -0.00005 -0.00016 0.00004
61.80450 0.00364 0.00355 0.00267 -0.00003 0.00005 -0.00000
62.21380 0.00356 0.00358 0.00319 -0.00004 -0.00023 0.00004
62.62310 0.00301 0.00300 0.00264 -0.00001 -0.00046 0.00006
63.03240 0.00340 0.00314 0.00284 0.00007 -0.00024 0.00002
63.44170 0.00293 0.00298 0.00246 0.00008 -0.00000 -0.00001
63.85100 0.00277 0.00258 0.00247 -0.00000 -0.00012 0.00000
64.26030 0.00280 0.00253 0.00244 0.00000 -0.00015 0.00000
64.66961 0.00282 0.00236 0.00257 -0.00003 0.00011 0.00002
65.07891 0.00266 0.00212 0.00250 -0.00003 0.00012 0.00001
65.48821 0.00217 0.00168 0.00234 0.00000 0.00018 -0.00000
65.89751 0.00202 0.00150 0.00207 0.00001 0.00009 -0.00002
66.30681 0.00116 0.00094 0.00125 -0.00001 0.00009 0.00000
66.71611 0.00040 0.00035 0.00040 -0.00000 0.00002 0.00000
67.12541 0.00029 0.00027 0.00029 -0.00000 0.00001 0.00000
67.53471 0.00025 0.00024 0.00025 -0.00000 0.00001 0.00000
67.94402 0.00023 0.00022 0.00023 -0.00000 0.00001 0.00000
68.35332 0.00022 0.00021 0.00022 -0.00000 0.00001 0.00000
68.76262 0.00021 0.00020 0.00021 -0.00000 0.00001 0.00000
69.17192 0.00020 0.00019 0.00020 -0.00000 0.00000 0.00000
69.58122 0.00019 0.00019 0.00019 -0.00000 0.00000 0.00000
69.99052 0.00018 0.00018 0.00019 -0.00000 0.00000 0.00000
70.39982 0.00018 0.00018 0.00018 -0.00000 0.00000 0.00000
70.80912 0.00017 0.00017 0.00017 -0.00000 0.00000 0.00000
71.21843 0.00017 0.00016 0.00017 -0.00000 0.00000 0.00000
71.62773 0.00016 0.00016 0.00016 -0.00000 0.00000 0.00000
72.03703 0.00016 0.00016 0.00016 -0.00000 0.00000 0.00000
72.44633 0.00015 0.00015 0.00015 -0.00000 0.00000 0.00000
72.85563 0.00015 0.00015 0.00015 -0.00000 0.00000 0.00000
73.26493 0.00015 0.00014 0.00015 -0.00000 0.00000 0.00000
73.67423 0.00014 0.00014 0.00014 -0.00000 0.00000 0.00000
74.08354 0.00014 0.00014 0.00014 -0.00000 0.00000 0.00000
74.49284 0.00013 0.00013 0.00014 -0.00000 0.00000 0.00000
74.90214 0.00013 0.00013 0.00013 -0.00000 0.00000 0.00000
75.31144 0.00013 0.00013 0.00013 -0.00000 0.00000 0.00000
75.72074 0.00013 0.00012 0.00013 -0.00000 0.00000 0.00000
76.13004 0.00012 0.00012 0.00012 -0.00000 0.00000 0.00000
76.53934 0.00012 0.00012 0.00012 -0.00000 0.00000 0.00000
76.94864 0.00012 0.00012 0.00012 -0.00000 0.00000 0.00000
77.35795 0.00011 0.00011 0.00012 -0.00000 0.00000 0.00000
77.76725 0.00011 0.00011 0.00011 -0.00000 0.00000 0.00000
78.17655 0.00011 0.00011 0.00011 -0.00000 0.00000 0.00000
78.58585 0.00011 0.00011 0.00011 -0.00000 0.00000 0.00000
78.99515 0.00011 0.00010 0.00011 -0.00000 0.00000 0.00000
79.40445 0.00010 0.00010 0.00010 -0.00000 0.00000 0.00000
79.81375 0.00010 0.00010 0.00010 -0.00000 0.00000 0.00000
80.22305 0.00010 0.00010 0.00010 -0.00000 0.00000 0.00000
80.63236 0.00010 0.00010 0.00010 -0.00000 0.00000 0.00000
81.04166 0.00010 0.00010 0.00010 -0.00000 0.00000 0.00000
81.45096 0.00010 0.00010 0.00009 -0.00000 0.00000 0.00000
81.86026 0.00009 0.00009 0.00009 -0.00000 0.00000 0.00000
82.26956 0.00009 0.00009 0.00009 -0.00000 0.00000 0.00000
82.67886 0.00009 0.00009 0.00009 -0.00000 0.00000 0.00000
83.08816 0.00009 0.00009 0.00009 -0.00000 0.00000 0.00000
83.49746 0.00009 0.00008 0.00009 -0.00000 0.00000 0.00000
83.90677 0.00008 0.00008 0.00008 -0.00000 0.00000 0.00000
84.31607 0.00008 0.00008 0.00008 -0.00000 0.00000 0.00000
84.72537 0.00008 0.00008 0.00008 -0.00000 0.00000 0.00000
85.13467 0.00008 0.00008 0.00008 -0.00000 0.00000 0.00000
85.54397 0.00008 0.00008 0.00008 -0.00000 0.00000 0.00000
85.95327 0.00008 0.00008 0.00008 -0.00000 0.00000 0.00000
86.36257 0.00008 0.00008 0.00008 -0.00000 0.00000 0.00000
86.77188 0.00007 0.00007 0.00008 -0.00000 0.00000 0.00000
87.18118 0.00007 0.00007 0.00007 -0.00000 0.00000 0.00000
87.59048 0.00007 0.00007 0.00007 -0.00000 0.00000 0.00000
87.99978 0.00007 0.00007 0.00007 -0.00000 0.00000 0.00000
88.40908 0.00007 0.00007 0.00007 -0.00000 0.00000 0.00000
88.81838 0.00007 0.00007 0.00007 -0.00000 0.00000 0.00000
89.22768 0.00007 0.00007 0.00007 -0.00000 0.00000 0.00000
89.63698 0.00007 0.00007 0.00007 -0.00000 0.00000 0.00000
90.04629 0.00007 0.00007 0.00007 -0.00000 0.00000 0.00000
90.45559 0.00007 0.00007 0.00007 -0.00000 0.00000 0.00000
90.86489 0.00007 0.00007 0.00007 -0.00000 0.00000 0.00000
91.27419 0.00007 0.00007 0.00006 -0.00000 0.00000 0.00000
91.68349 0.00007 0.00006 0.00006 -0.00000 0.00000 0.00000
92.09279 0.00007 0.00007 0.00006 -0.00000 0.00000 0.00000
92.50209 0.00006 0.00007 0.00006 -0.00000 0.00000 0.00000
92.91139 0.00006 0.00006 0.00006 -0.00000 0.00000 0.00000
93.32070 0.00007 0.00007 0.00006 -0.00000 0.00000 0.00000
93.73000 0.00006 0.00007 0.00006 -0.00000 0.00000 0.00000
94.13930 0.00006 0.00006 0.00006 -0.00000 0.00000 0.00000
94.54860 0.00006 0.00006 0.00006 -0.00000 0.00000 0.00000
94.95790 0.00006 0.00006 0.00006 -0.00000 0.00000 0.00000
95.36720 0.00006 0.00006 0.00006 -0.00000 0.00000 0.00000
95.77650 0.00006 0.00006 0.00006 -0.00000 0.00000 0.00000
96.18581 0.00006 0.00006 0.00006 -0.00000 0.00000 0.00000
96.59511 0.00005 0.00006 0.00006 -0.00000 0.00000 0.00000
97.00441 0.00005 0.00006 0.00006 -0.00000 0.00000 0.00000
97.41371 0.00005 0.00006 0.00006 -0.00000 0.00000 0.00000
97.82301 0.00005 0.00006 0.00006 -0.00000 0.00000 0.00000
98.23231 0.00005 0.00005 0.00006 -0.00000 0.00000 0.00000
98.64161 0.00005 0.00005 0.00006 -0.00000 0.00000 0.00000
99.05091 0.00005 0.00005 0.00006 -0.00000 0.00000 0.00000
99.46022 0.00005 0.00005 0.00005 -0.00000 0.00000 0.00000
99.86952 0.00005 0.00005 0.00005 -0.00000 0.00000 0.00000
100.27882 0.00005 0.00005 0.00005 -0.00000 0.00000 0.00000
100.68812 0.00005 0.00005 0.00005 -0.00000 0.00000 0.00000
101.09742 0.00005 0.00005 0.00005 -0.00000 0.00000 0.00000
101.50672 0.00005 0.00005 0.00005 -0.00000 0.00000 0.00000
101.91602 0.00004 0.00004 0.00004 -0.00000 0.00000 0.00000
102.32532 0.00004 0.00004 0.00004 -0.00000 0.00000 0.00000
102.73463 0.00004 0.00004 0.00004 -0.00000 0.00000 0.00000
103.14393 0.00004 0.00004 0.00004 -0.00000 0.00000 0.00000
103.55323 0.00004 0.00004 0.00004 -0.00000 0.00000 0.00000
103.96253 0.00004 0.00004 0.00004 -0.00000 0.00000 0.00000
104.37183 0.00004 0.00004 0.00004 -0.00000 0.00000 0.00000
104.78113 0.00004 0.00004 0.00004 -0.00000 0.00000 0.00000
105.19043 0.00004 0.00004 0.00004 -0.00000 0.00000 0.00000
105.59974 0.00004 0.00004 0.00004 -0.00000 0.00000 0.00000
106.00904 0.00004 0.00004 0.00004 -0.00000 0.00000 0.00000
106.41834 0.00004 0.00004 0.00004 -0.00000 0.00000 0.00000
106.82764 0.00004 0.00004 0.00004 -0.00000 0.00000 0.00000
107.23694 0.00004 0.00004 0.00004 -0.00000 0.00000 0.00000
107.64624 0.00004 0.00003 0.00004 -0.00000 0.00000 0.00000
108.05554 0.00003 0.00003 0.00004 -0.00000 0.00000 0.00000
108.46484 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
108.87415 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
109.28345 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
109.69275 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
110.10205 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
110.51135 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
110.92065 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
111.32995 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
111.73925 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
112.14856 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
112.55786 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
112.96716 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
113.37646 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
113.78576 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
114.19506 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
114.60436 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
115.01366 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
115.42297 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
115.83227 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
116.24157 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
116.65087 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
117.06017 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
117.46947 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
117.87877 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
118.28808 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
118.69738 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
119.10668 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
119.51598 0.00002 0.00002 0.00003 -0.00000 0.00000 0.00000
119.92528 0.00002 0.00002 0.00002 -0.00000 0.00000 0.00000
120.33458 0.00002 0.00002 0.00002 -0.00000 0.00000 0.00000
120.74388 0.00002 0.00002 0.00002 -0.00000 0.00000 0.00000
121.15318 0.00002 0.00002 0.00002 -0.00000 0.00000 0.00000
121.56249 0.00002 0.00002 0.00002 -0.00000 0.00000 0.00000
121.97179 0.00002 0.00002 0.00002 -0.00000 0.00000 0.00000
122.38109 0.00002 0.00002 0.00002 -0.00000 0.00000 0.00000
frequency dependent REAL DIELECTRIC FUNCTION (independent particle, no local field effects) density-density
E(ev) X Y Z XY YZ ZX
--------------------------------------------------------------------------------------------------------------
0.00000 2.91969 3.01270 2.97295 0.18086 0.20401 -0.00167
0.40930 2.93005 3.02397 2.98461 0.00972 0.06259 0.00013
0.81860 2.96218 3.05893 3.02100 0.00214 0.05699 0.00021
1.22790 3.01967 3.12142 3.08694 0.00061 0.05675 0.00023
1.63721 3.11011 3.21945 3.19312 -0.00002 0.05725 0.00025
2.04651 3.24946 3.36929 3.36394 -0.00049 0.05640 0.00030
2.45581 3.47936 3.60967 3.67403 -0.00133 0.04464 0.00073
2.86511 3.82146 4.01259 4.09229 -0.00744 -0.03563 0.00476
3.27441 4.25971 4.56701 4.24954 -0.01136 0.29710 0.00739
3.68371 4.36279 4.78340 4.07271 -0.03393 0.12440 -0.03614
4.09301 4.05245 4.29434 3.42240 0.00397 0.06094 0.00822
4.50231 3.29446 3.49052 2.38532 -0.09313 0.13977 0.03406
4.91162 2.94287 2.35180 1.98294 0.03350 -0.12059 0.01349
5.32092 2.03289 1.69607 2.11441 -0.01218 0.15098 0.00830
5.73022 1.95043 1.55890 2.06697 -0.00089 0.11129 -0.01384
6.13952 1.62981 1.06897 2.18898 0.04803 0.09320 0.01925
6.54882 1.35154 0.97137 2.20617 0.00617 0.00359 -0.00090
6.95812 1.06264 0.59089 1.94993 -0.01549 -0.14229 0.00865
7.36742 0.86775 0.63529 1.45781 0.02063 -0.14331 0.00493
7.77672 0.42788 0.59876 0.78350 0.00201 -0.06637 -0.05577
8.18603 0.21744 0.46384 0.52237 -0.02240 -0.07337 0.00234
8.59533 0.19055 0.47238 -0.10469 -0.00060 -0.08521 -0.00390
9.00463 0.31440 0.44835 -0.03582 0.01593 -0.04954 0.00096
9.41393 0.36504 0.50588 0.14925 -0.01949 -0.07839 0.00843
9.82323 0.30651 0.50850 0.29668 0.00397 -0.06087 -0.00417
10.23253 0.48400 0.60904 0.44224 -0.00225 -0.01055 0.00063
10.64183 0.61796 0.62820 0.63767 -0.00011 -0.05123 -0.00006
11.05114 0.69375 0.68799 0.75938 -0.00603 -0.08308 -0.00065
11.46044 0.75869 0.76783 0.87581 0.00176 -0.04090 0.00441
11.86974 0.79732 0.79662 0.88315 0.00081 -0.09901 -0.00590
12.27904 0.85130 0.85560 0.89650 -0.00521 -0.11215 -0.00102
12.68834 0.87425 0.90695 0.73013 0.00300 -0.03088 -0.00191
13.09764 0.85441 0.91140 0.72972 0.00604 -0.01264 0.00704
13.50694 0.87178 0.94889 0.67885 0.00606 -0.00567 -0.00023
13.91624 0.79603 0.86568 0.69779 -0.00266 0.01700 0.00269
14.32555 0.81868 0.69165 0.69591 0.00708 0.01295 0.00417
14.73485 0.80534 0.60868 0.65461 -0.01414 -0.03719 -0.00447
15.14415 0.74796 0.58210 0.69471 0.00080 -0.04458 0.00116
15.55345 0.63878 0.58745 0.67318 0.00131 -0.04008 -0.00827
15.96275 0.59675 0.59738 0.66710 -0.00142 -0.01401 0.00053
16.37205 0.62890 0.63036 0.66065 -0.00457 -0.01885 0.00379
16.78135 0.63378 0.61005 0.64090 0.00532 -0.00290 0.00070
17.19065 0.65662 0.63460 0.66842 -0.00077 0.00686 0.00148
17.59996 0.69661 0.64432 0.66407 -0.00247 0.00853 0.00030
18.00926 0.70430 0.65811 0.67449 -0.00084 -0.00068 0.00101
18.41856 0.69753 0.67833 0.68124 0.00183 0.01359 0.00078
18.82786 0.72590 0.69921 0.70541 -0.00277 0.02163 -0.00282
19.23716 0.75071 0.71090 0.71830 -0.00138 0.02231 -0.00171
19.64646 0.75913 0.74685 0.70845 0.00181 0.01733 -0.00358
20.05576 0.75441 0.73328 0.70052 -0.00114 0.00721 0.00159
20.46506 0.73083 0.71894 0.69329 -0.00292 0.01756 -0.00062
20.87437 0.72653 0.70505 0.71686 -0.00226 0.00598 -0.00152
21.28367 0.75083 0.72339 0.71974 0.00430 0.00580 0.00300
21.69297 0.74055 0.74175 0.72458 0.00182 -0.00224 -0.00223
22.10227 0.75494 0.74430 0.72423 0.00128 0.00502 -0.00037
22.51157 0.76022 0.74582 0.74715 -0.00089 0.00473 0.00179
22.92087 0.75252 0.75550 0.75481 -0.00021 -0.00173 -0.00000
23.33017 0.75624 0.76584 0.75805 -0.00153 0.00554 0.00318
23.73948 0.76791 0.77398 0.76615 0.00126 0.00049 0.00061
24.14878 0.79007 0.79160 0.78922 0.00066 -0.00574 -0.00177
24.55808 0.82601 0.82376 0.82219 -0.00022 -0.01099 -0.00146
24.96738 0.79674 0.80116 0.79910 0.00081 -0.00120 0.00063
25.37668 0.76971 0.78918 0.78400 -0.00075 -0.00158 -0.00157
25.78598 0.75380 0.77836 0.78853 -0.00031 -0.00903 0.00034
26.19528 0.76021 0.77478 0.75811 -0.00043 0.01007 0.00068
26.60458 0.75315 0.75944 0.75679 0.00141 0.00361 -0.00087
27.01389 0.74253 0.73603 0.72848 0.00035 0.00139 0.00048
27.42319 0.73881 0.73990 0.73016 -0.00270 -0.00284 0.00072
27.83249 0.75096 0.74447 0.74197 0.00002 0.00320 0.00096
28.24179 0.75487 0.74302 0.74462 0.00099 -0.00102 -0.00020
28.65109 0.74393 0.74023 0.73430 0.00081 0.00114 0.00013
29.06039 0.73373 0.73385 0.73032 -0.00058 0.00133 0.00021
29.46969 0.73115 0.73716 0.71868 0.00026 -0.00229 0.00016
29.87899 0.73526 0.74768 0.72612 -0.00012 -0.00070 -0.00038
30.28830 0.76751 0.77319 0.75734 0.00025 -0.00009 -0.00003
30.69760 0.78283 0.78666 0.77757 -0.00008 -0.00031 0.00022
31.10690 0.79508 0.79710 0.79043 0.00007 0.00132 -0.00034
31.51620 0.80937 0.81209 0.80466 -0.00010 0.00262 0.00021
31.92550 0.82188 0.82405 0.81990 0.00013 0.00314 0.00002
32.33480 0.83657 0.84078 0.83642 0.00005 0.00184 -0.00010
32.74410 0.84957 0.85275 0.85291 0.00009 0.00285 0.00002
33.15341 0.85835 0.86223 0.86439 -0.00022 0.00267 -0.00023
33.56271 0.86974 0.87352 0.87517 -0.00007 0.00181 0.00033
33.97201 0.87884 0.88324 0.88359 -0.00052 0.00235 -0.00002
34.38131 0.88935 0.89151 0.89437 -0.00023 0.00313 0.00026
34.79061 0.89307 0.89833 0.89987 -0.00023 0.00284 -0.00024
35.19991 0.90074 0.90406 0.90139 0.00026 0.00341 -0.00011
35.60921 0.91073 0.91396 0.90901 0.00015 0.00113 -0.00079
36.01851 0.91238 0.91919 0.91235 0.00038 0.00129 0.00060
36.42782 0.92101 0.92340 0.91533 0.00029 0.00062 -0.00008
36.83712 0.92757 0.93098 0.91992 0.00013 0.00245 0.00011
37.24642 0.93394 0.94041 0.92150 -0.00019 0.00257 -0.00031
37.65572 0.94018 0.93767 0.92303 -0.00001 0.00129 0.00028
38.06502 0.94255 0.94470 0.92744 -0.00031 0.00034 0.00015
38.47432 0.95149 0.94995 0.93091 -0.00056 0.00133 0.00010
38.88362 0.95576 0.95540 0.93553 0.00087 0.00202 -0.00043
39.29292 0.96075 0.96226 0.93676 0.00067 0.00229 0.00030
39.70223 0.96532 0.96229 0.94029 0.00056 0.00448 0.00047
40.11153 0.97167 0.97496 0.94443 0.00015 0.00430 -0.00001
40.52083 0.99000 0.99312 0.96252 0.00034 0.00266 0.00000
40.93013 1.00974 1.01313 0.96625 -0.00026 0.00622 -0.00045
41.33943 1.06290 1.06844 0.98898 -0.00048 0.01275 -0.00017
41.74873 1.04614 1.05741 1.02889 0.00042 0.00850 -0.00223
42.15803 0.95233 0.93310 0.94995 0.00029 -0.02064 0.00265
42.56734 0.91559 0.86241 0.95390 -0.00430 -0.01357 0.00103
42.97664 0.83226 0.85293 0.90403 -0.00134 -0.00739 -0.00047
43.38594 0.87345 0.89393 0.91729 0.00104 -0.00988 0.00276
43.79524 0.87664 0.90390 0.90684 0.00351 -0.00567 -0.00013
44.20454 0.90353 0.92692 0.92218 0.00150 -0.00438 -0.00181
44.61384 0.87356 0.86845 0.88165 -0.00023 0.00954 -0.00350
45.02314 0.83738 0.85609 0.88374 0.00107 0.01212 0.00208
45.43244 0.83954 0.85761 0.87248 -0.00215 0.01977 0.00004
45.84175 0.81880 0.81224 0.82328 0.00090 0.00551 -0.00076
46.25105 0.83123 0.82020 0.83367 0.00003 0.00574 -0.00023
46.66035 0.82348 0.81449 0.81720 -0.00075 -0.00815 0.00037
47.06965 0.83120 0.82334 0.82235 -0.00038 -0.00646 0.00075
47.47895 0.84065 0.83355 0.83601 -0.00004 -0.00126 -0.00022
47.88825 0.83859 0.83492 0.83718 -0.00047 -0.00158 0.00036
48.29755 0.83098 0.82844 0.82949 0.00042 -0.00300 -0.00025
48.70685 0.82711 0.82917 0.83304 0.00025 -0.00386 0.00083
49.11616 0.82317 0.82488 0.82504 -0.00015 -0.00420 0.00039
49.52546 0.82774 0.82921 0.82662 -0.00007 -0.00421 0.00003
49.93476 0.84795 0.84923 0.84818 0.00003 -0.00386 0.00002
50.34406 0.86033 0.86173 0.85990 0.00008 -0.00402 0.00005
50.75336 0.86919 0.86920 0.86851 -0.00008 -0.00417 0.00001
51.16266 0.87591 0.87604 0.87611 -0.00007 -0.00439 0.00001
51.57196 0.88148 0.88150 0.88172 0.00024 -0.00315 0.00002
51.98126 0.88564 0.88419 0.88507 0.00008 -0.00228 0.00008
52.39057 0.89082 0.88884 0.88940 -0.00001 -0.00129 0.00003
52.79987 0.89415 0.89256 0.89296 -0.00005 -0.00096 -0.00005
53.20917 0.89833 0.89626 0.89631 -0.00001 0.00002 -0.00020
53.61847 0.90219 0.90000 0.90090 0.00010 -0.00015 0.00013
54.02777 0.90366 0.90164 0.90060 0.00001 0.00077 0.00003
54.43707 0.90504 0.90468 0.90284 0.00003 0.00063 -0.00009
54.84637 0.90667 0.90626 0.90445 -0.00002 0.00086 -0.00003
55.25568 0.90995 0.91000 0.90806 0.00001 0.00042 -0.00004
55.66498 0.91129 0.91244 0.90862 -0.00000 0.00019 0.00019
56.07428 0.91349 0.91342 0.91052 -0.00002 0.00011 0.00000
56.48358 0.91560 0.91511 0.91248 0.00001 0.00003 -0.00007
56.89288 0.91778 0.91726 0.91375 0.00002 -0.00006 0.00011
57.30218 0.92089 0.92013 0.91699 -0.00007 -0.00009 -0.00002
57.71148 0.92229 0.92134 0.91825 0.00004 0.00025 -0.00004
58.12078 0.92298 0.92261 0.91964 0.00016 0.00013 -0.00010
58.53009 0.92492 0.92451 0.92131 -0.00008 0.00007 0.00001
58.93939 0.92506 0.92529 0.92244 -0.00005 0.00001 0.00003
59.34869 0.92700 0.92799 0.92510 -0.00010 -0.00012 0.00002
59.75799 0.92780 0.92870 0.92626 0.00004 -0.00017 -0.00000
60.16729 0.92875 0.93006 0.92796 0.00006 -0.00002 0.00003
60.57659 0.93009 0.93092 0.92956 -0.00001 -0.00035 0.00004
60.98589 0.93186 0.93240 0.93063 -0.00004 -0.00030 -0.00005
61.39519 0.93296 0.93353 0.93191 -0.00001 -0.00006 0.00002
61.80450 0.93411 0.93443 0.93359 0.00004 -0.00034 -0.00004
62.21380 0.93517 0.93548 0.93460 -0.00001 -0.00041 0.00003
62.62310 0.93634 0.93647 0.93566 0.00002 -0.00005 -0.00002
63.03240 0.93742 0.93742 0.93652 0.00004 0.00023 -0.00002
63.44170 0.93834 0.93840 0.93768 0.00002 0.00017 -0.00003
63.85100 0.93939 0.93926 0.93887 -0.00003 0.00001 -0.00003
64.26030 0.94025 0.94017 0.93992 -0.00003 0.00003 0.00001
64.66961 0.94083 0.94090 0.94052 -0.00004 0.00008 0.00001
65.07891 0.94161 0.94181 0.94133 0.00003 -0.00003 -0.00001
65.48821 0.94233 0.94263 0.94204 0.00002 -0.00003 -0.00004
65.89751 0.94289 0.94342 0.94233 -0.00001 -0.00010 0.00000
66.30681 0.94362 0.94419 0.94297 0.00001 -0.00013 0.00001
66.71611 0.94494 0.94545 0.94434 -0.00000 -0.00015 0.00000
67.12541 0.94626 0.94666 0.94567 -0.00000 -0.00013 0.00000
67.53471 0.94735 0.94770 0.94677 -0.00000 -0.00012 0.00000
67.94402 0.94834 0.94865 0.94777 -0.00000 -0.00011 0.00000
68.35332 0.94926 0.94954 0.94869 -0.00000 -0.00011 0.00000
68.76262 0.95013 0.95039 0.94956 -0.00000 -0.00011 0.00000
69.17192 0.95096 0.95121 0.95040 -0.00000 -0.00011 0.00000
69.58122 0.95176 0.95199 0.95120 -0.00000 -0.00011 0.00000
69.99052 0.95252 0.95274 0.95197 -0.00000 -0.00011 0.00000
70.39982 0.95326 0.95347 0.95272 -0.00000 -0.00011 0.00000
70.80912 0.95398 0.95418 0.95344 -0.00000 -0.00011 0.00000
71.21843 0.95467 0.95486 0.95414 -0.00000 -0.00011 0.00000
71.62773 0.95534 0.95552 0.95481 -0.00000 -0.00010 0.00000
72.03703 0.95600 0.95617 0.95547 -0.00000 -0.00010 0.00000
72.44633 0.95663 0.95680 0.95611 -0.00000 -0.00010 0.00000
72.85563 0.95725 0.95741 0.95674 -0.00000 -0.00010 0.00000
73.26493 0.95785 0.95800 0.95734 -0.00000 -0.00010 0.00000
73.67423 0.95844 0.95859 0.95794 -0.00000 -0.00010 0.00000
74.08354 0.95901 0.95915 0.95851 -0.00000 -0.00010 0.00000
74.49284 0.95956 0.95971 0.95908 -0.00000 -0.00010 0.00000
74.90214 0.96011 0.96025 0.95962 -0.00000 -0.00010 0.00000
75.31144 0.96064 0.96077 0.96016 -0.00000 -0.00010 0.00000
75.72074 0.96116 0.96129 0.96069 -0.00000 -0.00010 0.00000
76.13004 0.96167 0.96179 0.96120 -0.00000 -0.00010 0.00000
76.53934 0.96216 0.96228 0.96170 -0.00000 -0.00010 0.00000
76.94864 0.96265 0.96276 0.96219 -0.00000 -0.00010 0.00000
77.35795 0.96312 0.96324 0.96267 -0.00000 -0.00010 0.00000
77.76725 0.96358 0.96370 0.96314 -0.00000 -0.00009 0.00000
78.17655 0.96404 0.96415 0.96360 -0.00000 -0.00009 0.00000
78.58585 0.96448 0.96459 0.96405 -0.00000 -0.00009 0.00000
78.99515 0.96492 0.96502 0.96449 -0.00000 -0.00009 0.00000
79.40445 0.96535 0.96545 0.96492 -0.00000 -0.00009 0.00000
79.81375 0.96576 0.96586 0.96534 -0.00000 -0.00009 0.00000
80.22305 0.96617 0.96627 0.96575 -0.00000 -0.00009 0.00000
80.63236 0.96657 0.96667 0.96616 -0.00000 -0.00009 0.00000
81.04166 0.96697 0.96706 0.96656 -0.00000 -0.00009 0.00000
81.45096 0.96735 0.96745 0.96695 -0.00000 -0.00009 0.00000
81.86026 0.96773 0.96782 0.96733 -0.00000 -0.00009 0.00000
82.26956 0.96810 0.96819 0.96771 -0.00000 -0.00009 0.00000
82.67886 0.96847 0.96855 0.96808 -0.00000 -0.00009 0.00000
83.08816 0.96883 0.96891 0.96844 -0.00000 -0.00009 0.00000
83.49746 0.96918 0.96926 0.96879 -0.00000 -0.00008 0.00000
83.90677 0.96952 0.96960 0.96914 -0.00000 -0.00008 0.00000
84.31607 0.96986 0.96994 0.96949 -0.00000 -0.00008 0.00000
84.72537 0.97019 0.97027 0.96982 -0.00000 -0.00008 0.00000
85.13467 0.97052 0.97060 0.97015 -0.00000 -0.00008 0.00000
85.54397 0.97084 0.97092 0.97048 -0.00000 -0.00008 0.00000
85.95327 0.97116 0.97123 0.97080 -0.00000 -0.00008 0.00000
86.36257 0.97147 0.97154 0.97111 -0.00000 -0.00008 0.00000
86.77188 0.97177 0.97184 0.97142 -0.00000 -0.00008 0.00000
87.18118 0.97207 0.97214 0.97172 -0.00000 -0.00008 0.00000
87.59048 0.97237 0.97244 0.97202 -0.00000 -0.00008 0.00000
87.99978 0.97266 0.97272 0.97231 -0.00000 -0.00008 0.00000
88.40908 0.97294 0.97301 0.97260 -0.00000 -0.00008 0.00000
88.81838 0.97322 0.97329 0.97288 -0.00000 -0.00008 0.00000
89.22768 0.97350 0.97356 0.97316 -0.00000 -0.00007 0.00000
89.63698 0.97377 0.97383 0.97343 -0.00000 -0.00007 0.00000
90.04629 0.97403 0.97409 0.97370 0.00000 -0.00007 0.00000
90.45559 0.97429 0.97436 0.97397 0.00000 -0.00007 0.00000
90.86489 0.97455 0.97461 0.97423 -0.00000 -0.00007 0.00000
91.27419 0.97481 0.97487 0.97449 -0.00000 -0.00007 0.00000
91.68349 0.97506 0.97512 0.97474 -0.00000 -0.00007 0.00000
92.09279 0.97530 0.97536 0.97499 0.00000 -0.00007 0.00000
92.50209 0.97554 0.97560 0.97524 0.00000 -0.00007 0.00000
92.91139 0.97578 0.97584 0.97548 -0.00000 -0.00007 0.00000
93.32070 0.97601 0.97607 0.97571 -0.00000 -0.00007 0.00000
93.73000 0.97624 0.97630 0.97595 -0.00000 -0.00007 0.00000
94.13930 0.97647 0.97652 0.97618 0.00000 -0.00007 0.00000
94.54860 0.97669 0.97675 0.97640 0.00000 -0.00007 0.00000
94.95790 0.97691 0.97697 0.97663 0.00000 -0.00007 0.00000
95.36720 0.97713 0.97719 0.97685 -0.00000 -0.00007 0.00000
95.77650 0.97735 0.97740 0.97706 -0.00000 -0.00007 0.00000
96.18581 0.97756 0.97761 0.97728 0.00000 -0.00006 0.00000
96.59511 0.97777 0.97782 0.97749 0.00000 -0.00006 0.00000
97.00441 0.97797 0.97802 0.97769 -0.00000 -0.00006 0.00000
97.41371 0.97817 0.97822 0.97790 0.00000 -0.00007 0.00000
97.82301 0.97837 0.97842 0.97810 -0.00000 -0.00006 0.00000
98.23231 0.97857 0.97862 0.97830 -0.00000 -0.00006 0.00000
98.64161 0.97876 0.97881 0.97849 -0.00000 -0.00006 0.00000
99.05091 0.97895 0.97900 0.97868 0.00000 -0.00006 0.00000
99.46022 0.97914 0.97919 0.97887 0.00000 -0.00006 0.00000
99.86952 0.97933 0.97937 0.97906 0.00000 -0.00006 0.00000
100.27882 0.97951 0.97955 0.97925 -0.00000 -0.00006 0.00000
100.68812 0.97969 0.97973 0.97943 -0.00000 -0.00006 0.00000
101.09742 0.97987 0.97991 0.97961 0.00000 -0.00006 0.00000
101.50672 0.98004 0.98008 0.97978 0.00000 -0.00006 0.00000
101.91602 0.98021 0.98025 0.97996 -0.00000 -0.00006 0.00000
102.32532 0.98039 0.98043 0.98013 -0.00000 -0.00006 0.00000
102.73463 0.98055 0.98060 0.98031 -0.00000 -0.00006 0.00000
103.14393 0.98072 0.98076 0.98048 -0.00000 -0.00006 0.00000
103.55323 0.98089 0.98093 0.98064 -0.00000 -0.00006 0.00000
103.96253 0.98105 0.98109 0.98081 -0.00000 -0.00006 0.00000
104.37183 0.98121 0.98125 0.98097 -0.00000 -0.00006 0.00000
104.78113 0.98137 0.98141 0.98113 -0.00000 -0.00006 0.00000
105.19043 0.98152 0.98156 0.98129 -0.00000 -0.00006 0.00000
105.59974 0.98168 0.98171 0.98144 -0.00000 -0.00005 0.00000
106.00904 0.98183 0.98187 0.98160 -0.00000 -0.00005 0.00000
106.41834 0.98198 0.98202 0.98175 -0.00000 -0.00005 0.00000
106.82764 0.98213 0.98216 0.98190 -0.00000 -0.00005 0.00000
107.23694 0.98227 0.98231 0.98205 -0.00000 -0.00005 0.00000
107.64624 0.98242 0.98245 0.98219 -0.00000 -0.00005 0.00000
108.05554 0.98256 0.98260 0.98234 -0.00000 -0.00005 0.00000
108.46484 0.98270 0.98274 0.98248 -0.00000 -0.00005 0.00000
108.87415 0.98284 0.98287 0.98262 -0.00000 -0.00005 0.00000
109.28345 0.98298 0.98301 0.98276 -0.00000 -0.00005 0.00000
109.69275 0.98311 0.98315 0.98290 -0.00000 -0.00005 0.00000
110.10205 0.98325 0.98328 0.98303 -0.00000 -0.00005 0.00000
110.51135 0.98338 0.98341 0.98317 -0.00000 -0.00005 0.00000
110.92065 0.98351 0.98354 0.98330 -0.00000 -0.00005 0.00000
111.32995 0.98364 0.98367 0.98343 -0.00000 -0.00005 0.00000
111.73925 0.98377 0.98380 0.98356 -0.00000 -0.00005 0.00000
112.14856 0.98389 0.98392 0.98368 -0.00000 -0.00005 0.00000
112.55786 0.98402 0.98405 0.98381 0.00000 -0.00005 0.00000
112.96716 0.98414 0.98417 0.98394 0.00000 -0.00005 0.00000
113.37646 0.98426 0.98429 0.98406 0.00000 -0.00005 0.00000
113.78576 0.98438 0.98441 0.98418 0.00000 -0.00005 0.00000
114.19506 0.98450 0.98453 0.98430 0.00000 -0.00005 0.00000
114.60436 0.98462 0.98465 0.98442 0.00000 -0.00005 0.00000
115.01366 0.98473 0.98476 0.98454 0.00000 -0.00005 0.00000
115.42297 0.98485 0.98488 0.98465 0.00000 -0.00005 0.00000
115.83227 0.98496 0.98499 0.98477 0.00000 -0.00005 0.00000
116.24157 0.98507 0.98510 0.98488 0.00000 -0.00005 0.00000
116.65087 0.98518 0.98521 0.98499 0.00000 -0.00005 0.00000
117.06017 0.98529 0.98532 0.98510 0.00000 -0.00004 0.00000
117.46947 0.98540 0.98543 0.98521 0.00000 -0.00004 0.00000
117.87877 0.98551 0.98554 0.98532 0.00000 -0.00004 0.00000
118.28808 0.98562 0.98564 0.98543 0.00000 -0.00004 0.00000
118.69738 0.98572 0.98575 0.98553 0.00000 -0.00004 0.00000
119.10668 0.98582 0.98585 0.98564 0.00000 -0.00004 0.00000
119.51598 0.98593 0.98595 0.98574 0.00000 -0.00004 0.00000
119.92528 0.98603 0.98605 0.98585 0.00000 -0.00004 0.00000
120.33458 0.98613 0.98615 0.98595 0.00000 -0.00004 0.00000
120.74388 0.98623 0.98625 0.98605 0.00000 -0.00004 0.00000
121.15318 0.98632 0.98635 0.98615 0.00000 -0.00004 0.00000
121.56249 0.98642 0.98645 0.98624 0.00000 -0.00004 0.00000
121.97179 0.98652 0.98654 0.98634 0.00000 -0.00004 0.00000
122.38109 0.98661 0.98664 0.98644 0.00000 -0.00004 0.00000
frequency dependent IMAGINARY DIELECTRIC FUNCTION (independent particle, no local field effects) current-current
E(ev) X Y Z XY YZ ZX
--------------------------------------------------------------------------------------------------------------
0.00000 9.38041 9.83489 9.64069 0.44052 0.62992 -0.00350
0.40930 0.94811 0.99445 0.97542 0.04477 0.06420 -0.00035
0.81860 0.49012 0.51470 0.50597 0.02353 0.03406 -0.00018
1.22790 0.34664 0.36473 0.36038 0.01712 0.02524 -0.00013
1.63721 0.28501 0.30058 0.30044 0.01464 0.02232 -0.00014
2.04651 0.26254 0.27708 0.28518 0.01417 0.02289 -0.00025
2.45581 0.28064 0.29091 0.33657 0.01580 0.02659 -0.00088
2.86511 0.47200 0.43344 0.72964 0.01526 -0.04032 0.00043
3.27441 0.84101 0.85132 1.34963 0.02694 -0.10921 0.00910
3.68371 1.93812 2.24763 2.54525 0.00855 0.36408 -0.01216
4.09301 2.36033 2.85799 2.69377 0.01707 0.08449 -0.00715
4.50231 2.55611 3.28144 2.62994 -0.01593 0.11959 -0.01667
4.91162 2.91263 3.67871 2.14544 -0.06428 0.15556 0.00675
5.32092 2.72403 3.15135 1.79300 -0.02124 0.01576 0.02756
5.73022 2.69211 2.79582 1.86171 -0.03539 0.06643 0.00160
6.13952 2.46641 2.63750 1.96255 -0.03994 0.16504 0.00193
6.54882 2.54079 2.62454 2.28556 0.03202 0.33995 -0.02105
6.95812 2.46379 2.09289 2.56742 0.00576 0.18675 0.02995
7.36742 2.39665 1.82728 2.58444 -0.01600 0.07976 0.00053
7.77672 2.17890 1.75150 2.74015 0.04964 0.01307 -0.01814
8.18603 1.86331 1.56024 2.44567 0.00177 0.02062 -0.00367
8.59533 1.38856 1.24738 1.98035 -0.02189 0.04352 0.00831
9.00463 1.13854 1.09196 1.28444 -0.00026 0.01816 -0.00007
9.41393 0.97682 1.06454 1.05778 0.01397 0.04325 -0.00140
9.82323 0.89239 0.94957 0.83664 -0.01447 -0.02948 -0.00030
10.23253 0.64233 0.81700 0.65868 0.00065 0.05364 0.00089
10.64183 0.62765 0.72855 0.59418 -0.00177 0.03008 0.00366
11.05114 0.62679 0.68591 0.59863 0.00529 0.02449 0.00142
11.46044 0.64341 0.66690 0.71349 -0.00001 0.03171 -0.00830
11.86974 0.60528 0.66749 0.79588 -0.00085 -0.00627 0.00273
12.27904 0.64619 0.62556 0.85178 -0.00505 -0.05753 0.00256
12.68834 0.65765 0.64439 0.78991 -0.00688 -0.04227 -0.00098
13.09764 0.64597 0.70960 0.75184 0.00342 -0.08946 0.00323
13.50694 0.68712 0.76871 0.75595 0.00239 -0.04798 -0.00394
13.91624 0.72444 0.90091 0.69603 0.00806 0.00269 0.00006
14.32555 0.65288 0.84535 0.67368 0.00808 0.00449 0.00624
14.73485 0.70604 0.77258 0.63362 -0.00375 0.00431 -0.00040
15.14415 0.73315 0.63953 0.59098 0.00223 -0.03055 -0.00411
15.55345 0.67714 0.59052 0.56415 -0.00218 -0.03311 -0.00104
15.96275 0.57101 0.53988 0.56037 -0.00131 -0.05268 -0.00444
16.37205 0.51181 0.51628 0.55598 -0.00489 -0.04851 0.00337
16.78135 0.47083 0.46051 0.49785 -0.00233 -0.03491 -0.00376
17.19065 0.41664 0.44007 0.47351 0.00177 -0.02833 -0.00013
17.59996 0.40017 0.40144 0.43093 0.00508 -0.02296 0.00149
18.00926 0.39929 0.38200 0.42345 -0.00091 -0.03036 0.00268
18.41856 0.36226 0.35353 0.38398 -0.00118 -0.03410 0.00124
18.82786 0.34661 0.34854 0.36186 0.00333 -0.01491 0.00223
19.23716 0.34260 0.31768 0.37857 -0.00219 -0.01020 -0.00114
19.64646 0.34094 0.32983 0.36033 -0.00190 -0.00039 -0.00023
20.05576 0.35708 0.33866 0.35363 0.00200 -0.01147 -0.00350
20.46506 0.34854 0.33255 0.32535 0.00058 -0.00054 0.00134
20.87437 0.31229 0.30212 0.29871 -0.00278 0.00570 -0.00068
21.28367 0.30565 0.27906 0.29325 -0.00249 0.00477 0.00169
21.69297 0.28216 0.26021 0.28816 0.00144 0.00620 0.00180
22.10227 0.28009 0.26127 0.26207 0.00244 0.00025 -0.00278
22.51157 0.26430 0.24470 0.24667 -0.00118 0.00551 -0.00112
22.92087 0.26264 0.23487 0.23587 0.00245 -0.00211 -0.00139
23.33017 0.24702 0.22904 0.23151 -0.00097 0.00248 0.00067
23.73948 0.22750 0.21033 0.22110 -0.00158 0.00627 0.00295
24.14878 0.21623 0.20160 0.21003 0.00192 0.01020 0.00050
24.55808 0.24145 0.22053 0.22550 0.00005 -0.00769 0.00021
24.96738 0.26037 0.24094 0.25075 0.00093 -0.00466 0.00153
25.37668 0.26199 0.24025 0.24696 -0.00089 -0.00119 0.00101
25.78598 0.25231 0.24999 0.25778 -0.00005 -0.01609 -0.00215
26.19528 0.21548 0.22834 0.23139 -0.00027 -0.00108 -0.00126
26.60458 0.23010 0.23603 0.24246 -0.00119 -0.00409 -0.00194
27.01389 0.20384 0.20633 0.22161 0.00333 0.00123 -0.00030
27.42319 0.18550 0.18912 0.19177 -0.00212 0.00046 0.00039
27.83249 0.16952 0.17113 0.17511 0.00018 -0.00219 -0.00044
28.24179 0.16333 0.15862 0.16281 -0.00114 -0.00120 0.00023
28.65109 0.15939 0.14798 0.17097 0.00095 -0.00630 0.00066
29.06039 0.15355 0.13025 0.15498 0.00017 0.00310 -0.00088
29.46969 0.11988 0.10147 0.11442 -0.00016 -0.00342 0.00009
29.87899 0.08095 0.07951 0.08273 0.00057 -0.00228 0.00063
30.28830 0.06467 0.06289 0.05890 -0.00023 -0.00316 -0.00012
30.69760 0.05691 0.05472 0.05186 0.00016 -0.00291 -0.00018
31.10690 0.05153 0.05116 0.04914 0.00010 -0.00357 -0.00008
31.51620 0.04668 0.04235 0.03977 0.00009 -0.00405 0.00007
31.92550 0.03962 0.03717 0.03367 -0.00005 -0.00201 0.00009
32.33480 0.03827 0.03391 0.02998 0.00043 -0.00149 0.00015
32.74410 0.03480 0.03182 0.02896 0.00009 -0.00111 -0.00016
33.15341 0.03534 0.03365 0.03351 0.00017 -0.00090 -0.00016
33.56271 0.03419 0.03187 0.03518 0.00024 -0.00080 0.00014
33.97201 0.03639 0.03532 0.03777 0.00025 -0.00068 -0.00017
34.38131 0.03668 0.03632 0.04141 -0.00031 0.00035 0.00006
34.79061 0.04152 0.03900 0.04962 -0.00031 0.00082 0.00006
35.19991 0.03770 0.03662 0.04844 -0.00041 0.00079 0.00007
35.60921 0.04300 0.04231 0.05484 -0.00013 0.00022 -0.00019
36.01851 0.04722 0.04477 0.05978 -0.00027 0.00149 -0.00003
36.42782 0.04443 0.04600 0.05769 0.00022 -0.00019 -0.00004
36.83712 0.04771 0.04740 0.06011 0.00014 -0.00061 0.00054
37.24642 0.05136 0.05485 0.06579 0.00036 0.00155 0.00010
37.65572 0.05355 0.05791 0.06501 0.00046 0.00089 -0.00090
38.06502 0.05497 0.05533 0.06319 0.00014 -0.00008 0.00056
38.47432 0.05933 0.06247 0.06562 -0.00066 0.00100 0.00021
38.88362 0.06467 0.06199 0.07089 -0.00001 0.00056 0.00051
39.29292 0.06486 0.06740 0.06974 -0.00046 -0.00168 -0.00087
39.70223 0.06984 0.06736 0.06916 0.00038 -0.00134 0.00026
40.11153 0.07014 0.06685 0.06608 0.00025 0.00084 -0.00030
40.52083 0.07716 0.07574 0.07130 0.00100 0.00176 0.00060
40.93013 0.08027 0.08215 0.07704 0.00042 -0.00030 0.00019
41.33943 0.11150 0.10288 0.07745 0.00045 0.00505 -0.00001
41.74873 0.24564 0.28014 0.12978 -0.00010 0.02387 -0.00105
42.15803 0.23656 0.25792 0.19575 -0.00223 0.01171 0.00025
42.56734 0.22224 0.20155 0.15381 0.00225 0.00347 0.00005
42.97664 0.19796 0.14159 0.17453 -0.00190 -0.00063 -0.00240
43.38594 0.15327 0.13547 0.14457 -0.00433 -0.00311 0.00133
43.79524 0.13972 0.13785 0.15478 -0.00067 -0.00720 0.00303
44.20454 0.13864 0.15581 0.14640 0.00035 -0.01327 0.00036
44.61384 0.17298 0.16722 0.16800 0.00013 -0.01038 -0.00468
45.02314 0.16349 0.17323 0.16184 0.00086 -0.01204 0.00266
45.43244 0.13465 0.14885 0.16204 0.00095 0.00030 -0.00073
45.84175 0.11624 0.13674 0.13525 0.00079 0.01314 -0.00028
46.25105 0.10007 0.11065 0.11600 0.00002 0.01049 0.00048
46.66035 0.09554 0.10046 0.11470 -0.00024 0.01064 -0.00099
47.06965 0.07717 0.07855 0.08375 -0.00051 0.00235 0.00062
47.47895 0.08063 0.07694 0.07983 0.00051 0.00366 0.00062
47.88825 0.07164 0.06820 0.07418 0.00010 0.00362 0.00021
48.29755 0.07213 0.06614 0.06955 -0.00061 0.00377 -0.00070
48.70685 0.05830 0.05518 0.06065 0.00028 0.00292 -0.00032
49.11616 0.04202 0.04135 0.04818 0.00002 0.00132 0.00014
49.52546 0.01969 0.01945 0.02421 0.00006 0.00136 0.00002
49.93476 0.00879 0.00916 0.01260 -0.00001 0.00099 0.00006
50.34406 0.00774 0.00927 0.01187 -0.00012 0.00026 -0.00004
50.75336 0.00692 0.00902 0.01059 0.00008 -0.00077 0.00008
51.16266 0.00672 0.00845 0.00941 -0.00007 -0.00189 0.00011
51.57196 0.00780 0.00999 0.01202 -0.00001 -0.00306 0.00011
51.98126 0.00665 0.00858 0.01030 0.00007 -0.00341 -0.00002
52.39057 0.00565 0.00679 0.00947 0.00001 -0.00295 0.00014
52.79987 0.00648 0.00698 0.00957 0.00002 -0.00279 0.00013
53.20917 0.00670 0.00652 0.00964 -0.00004 -0.00201 -0.00006
53.61847 0.00678 0.00688 0.01032 -0.00008 -0.00224 -0.00017
54.02777 0.00856 0.00655 0.01161 0.00009 -0.00211 0.00014
54.43707 0.00753 0.00612 0.00979 0.00002 -0.00125 0.00005
54.84637 0.00688 0.00544 0.00861 -0.00001 -0.00048 -0.00007
55.25568 0.00655 0.00489 0.00863 -0.00001 -0.00029 -0.00002
55.66498 0.00616 0.00565 0.00869 0.00001 0.00019 -0.00002
56.07428 0.00527 0.00542 0.00760 -0.00008 -0.00008 0.00015
56.48358 0.00589 0.00578 0.00847 -0.00001 -0.00052 0.00002
56.89288 0.00451 0.00400 0.00586 0.00005 -0.00037 -0.00001
57.30218 0.00436 0.00430 0.00503 0.00003 -0.00021 0.00002
57.71148 0.00565 0.00475 0.00544 -0.00003 -0.00052 0.00002
58.12078 0.00539 0.00423 0.00479 0.00004 -0.00007 0.00003
58.53009 0.00568 0.00431 0.00496 0.00009 -0.00007 -0.00006
58.93939 0.00553 0.00395 0.00363 -0.00001 0.00008 0.00001
59.34869 0.00521 0.00370 0.00333 -0.00000 0.00005 -0.00001
59.75799 0.00495 0.00422 0.00358 -0.00005 -0.00021 0.00008
60.16729 0.00452 0.00402 0.00316 0.00004 0.00002 -0.00004
60.57659 0.00377 0.00387 0.00316 0.00002 0.00005 0.00006
60.98589 0.00375 0.00370 0.00316 -0.00001 -0.00020 -0.00001
61.39519 0.00330 0.00346 0.00257 -0.00005 -0.00016 0.00004
61.80450 0.00342 0.00333 0.00246 -0.00003 0.00004 -0.00000
62.21380 0.00335 0.00337 0.00298 -0.00004 -0.00023 0.00004
62.62310 0.00280 0.00280 0.00243 -0.00001 -0.00046 0.00006
63.03240 0.00320 0.00294 0.00264 0.00007 -0.00024 0.00002
63.44170 0.00274 0.00278 0.00227 0.00008 -0.00000 -0.00001
63.85100 0.00258 0.00239 0.00228 -0.00000 -0.00012 0.00000
64.26030 0.00261 0.00235 0.00225 0.00000 -0.00015 0.00000
64.66961 0.00264 0.00218 0.00238 -0.00003 0.00011 0.00002
65.07891 0.00248 0.00194 0.00232 -0.00003 0.00012 0.00001
65.48821 0.00199 0.00150 0.00216 0.00001 0.00018 -0.00000
65.89751 0.00184 0.00133 0.00190 0.00001 0.00009 -0.00002
66.30681 0.00099 0.00077 0.00107 -0.00001 0.00009 0.00000
66.71611 0.00023 0.00019 0.00023 -0.00000 0.00002 0.00000
67.12541 0.00013 0.00011 0.00013 -0.00000 0.00001 0.00000
67.53471 0.00010 0.00009 0.00010 -0.00000 0.00001 0.00000
67.94402 0.00008 0.00007 0.00008 -0.00000 0.00001 0.00000
68.35332 0.00007 0.00006 0.00007 -0.00000 0.00001 0.00000
68.76262 0.00006 0.00006 0.00006 -0.00000 0.00000 0.00000
69.17192 0.00006 0.00005 0.00006 -0.00000 0.00000 0.00000
69.58122 0.00005 0.00005 0.00005 -0.00000 0.00000 0.00000
69.99052 0.00005 0.00005 0.00005 -0.00000 0.00000 0.00000
70.39982 0.00004 0.00004 0.00004 -0.00000 0.00000 0.00000
70.80912 0.00004 0.00004 0.00004 -0.00000 0.00000 0.00000
71.21843 0.00004 0.00004 0.00004 -0.00000 0.00000 0.00000
71.62773 0.00004 0.00004 0.00004 -0.00000 0.00000 0.00000
72.03703 0.00004 0.00003 0.00004 -0.00000 0.00000 0.00000
72.44633 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
72.85563 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
73.26493 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
73.67423 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
74.08354 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
74.49284 0.00003 0.00003 0.00003 -0.00000 0.00000 0.00000
74.90214 0.00002 0.00002 0.00002 -0.00000 0.00000 0.00000
75.31144 0.00002 0.00002 0.00002 -0.00000 0.00000 0.00000
75.72074 0.00002 0.00002 0.00002 -0.00000 0.00000 0.00000
76.13004 0.00002 0.00002 0.00002 -0.00000 0.00000 0.00000
76.53934 0.00002 0.00002 0.00002 -0.00000 0.00000 0.00000
76.94864 0.00002 0.00002 0.00002 -0.00000 0.00000 0.00000
77.35795 0.00002 0.00002 0.00002 -0.00000 0.00000 0.00000
77.76725 0.00002 0.00002 0.00002 -0.00000 0.00000 0.00000
78.17655 0.00002 0.00002 0.00002 -0.00000 0.00000 0.00000
78.58585 0.00002 0.00002 0.00002 -0.00000 0.00000 0.00000
78.99515 0.00002 0.00002 0.00002 -0.00000 0.00000 0.00000
79.40445 0.00002 0.00002 0.00002 -0.00000 0.00000 0.00000
79.81375 0.00002 0.00002 0.00002 -0.00000 0.00000 0.00000
80.22305 0.00002 0.00002 0.00002 -0.00000 0.00000 0.00000
80.63236 0.00002 0.00002 0.00002 -0.00000 0.00000 0.00000
81.04166 0.00002 0.00002 0.00001 -0.00000 0.00000 0.00000
81.45096 0.00002 0.00002 0.00001 -0.00000 0.00000 0.00000
81.86026 0.00001 0.00002 0.00001 -0.00000 0.00000 0.00000
82.26956 0.00001 0.00002 0.00001 -0.00000 0.00000 0.00000
82.67886 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
83.08816 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
83.49746 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
83.90677 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
84.31607 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
84.72537 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
85.13467 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
85.54397 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
85.95327 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
86.36257 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
86.77188 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
87.18118 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
87.59048 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
87.99978 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
88.40908 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
88.81838 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
89.22768 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
89.63698 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
90.04629 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
90.45559 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
90.86489 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
91.27419 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
91.68349 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
92.09279 0.00002 0.00001 0.00001 -0.00000 0.00000 0.00000
92.50209 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
92.91139 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
93.32070 0.00001 0.00002 0.00001 -0.00000 0.00000 0.00000
93.73000 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
94.13930 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
94.54860 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
94.95790 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
95.36720 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
95.77650 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
96.18581 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
96.59511 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
97.00441 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
97.41371 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
97.82301 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
98.23231 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
98.64161 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
99.05091 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
99.46022 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
99.86952 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
100.27882 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
100.68812 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
101.09742 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
101.50672 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
101.91602 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000
102.32532 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
102.73463 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
103.14393 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
103.55323 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
103.96253 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
104.37183 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
104.78113 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
105.19043 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
105.59974 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
106.00904 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
106.41834 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
106.82764 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
107.23694 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
107.64624 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
108.05554 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
108.46484 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
108.87415 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
109.28345 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
109.69275 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
110.10205 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
110.51135 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
110.92065 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
111.32995 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
111.73925 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
112.14856 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
112.55786 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
112.96716 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
113.37646 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
113.78576 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
114.19506 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
114.60436 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
115.01366 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
115.42297 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
115.83227 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
116.24157 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
116.65087 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
117.06017 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
117.46947 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
117.87877 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
118.28808 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
118.69738 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
119.10668 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
119.51598 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
119.92528 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
120.33458 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
120.74388 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
121.15318 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
121.56249 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
121.97179 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
122.38109 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000
frequency dependent REAL DIELECTRIC FUNCTION (independent particle, no local field effects) current-current
E(ev) X Y Z XY YZ ZX
--------------------------------------------------------------------------------------------------------------
0.00000 2.91715 3.00993 2.97009 -0.00084 0.05338 0.00023
0.40930 2.92736 3.02104 2.98159 -0.00085 0.05359 0.00023
0.81860 2.95937 3.05587 3.01780 -0.00090 0.05420 0.00024
1.22790 3.01662 3.11810 3.08342 -0.00098 0.05511 0.00025
1.63721 3.10663 3.21568 3.18899 -0.00114 0.05592 0.00027
2.04651 3.24519 3.36472 3.35857 -0.00145 0.05504 0.00033
2.45581 3.47300 3.60330 3.66460 -0.00233 0.04295 0.00080
2.86511 3.80211 3.99709 4.05595 -0.00832 -0.03281 0.00477
3.27441 4.22059 4.52866 4.17842 -0.01291 0.30522 0.00682
3.68371 4.26513 4.66950 3.93988 -0.03431 0.10300 -0.03547
4.09301 3.94383 4.16077 3.29504 0.00320 0.05699 0.00851
4.50231 3.18543 3.34876 2.27059 -0.09255 0.13502 0.03497
4.91162 2.82696 2.20198 1.89737 0.03632 -0.12736 0.01320
5.32092 1.93243 1.57820 2.04960 -0.01123 0.15071 0.00722
5.73022 1.85736 1.46186 2.00362 0.00039 0.10919 -0.01391
6.13952 1.55072 0.98335 2.12640 0.04959 0.08795 0.01918
6.54882 1.27442 0.89063 2.13735 0.00520 -0.00734 -0.00014
6.95812 0.99200 0.53094 1.87679 -0.01561 -0.14778 0.00770
7.36742 0.80264 0.58573 1.38833 0.02116 -0.14557 0.00495
7.77672 0.37153 0.55351 0.71231 0.00065 -0.06663 -0.05528
8.18603 0.17139 0.42557 0.46225 -0.02241 -0.07376 0.00240
8.59533 0.15824 0.44355 -0.15113 -0.00004 -0.08623 -0.00414
9.00463 0.28924 0.42433 -0.06421 0.01596 -0.04987 0.00094
9.41393 0.34448 0.48328 0.12668 -0.01980 -0.07935 0.00846
9.82323 0.28832 0.48916 0.27968 0.00432 -0.06021 -0.00416
10.23253 0.47167 0.59317 0.42952 -0.00225 -0.01167 0.00061
10.64183 0.60631 0.61466 0.62673 -0.00006 -0.05179 -0.00014
11.05114 0.68251 0.67571 0.74878 -0.00613 -0.08356 -0.00068
11.46044 0.74753 0.75628 0.86345 0.00177 -0.04149 0.00457
11.86974 0.78722 0.78543 0.86978 0.00085 -0.09888 -0.00595
12.27904 0.84083 0.84555 0.88269 -0.00511 -0.11120 -0.00106
12.68834 0.86397 0.89693 0.71778 0.00313 -0.03022 -0.00189
13.09764 0.84467 0.90065 0.71834 0.00599 -0.01120 0.00698
13.50694 0.86169 0.93763 0.66766 0.00604 -0.00490 -0.00017
13.91624 0.78559 0.85270 0.68781 -0.00278 0.01695 0.00270
14.32555 0.80964 0.67986 0.68654 0.00697 0.01291 0.00408
14.73485 0.79575 0.59816 0.64603 -0.01407 -0.03726 -0.00446
15.14415 0.73826 0.57371 0.68695 0.00078 -0.04414 0.00122
15.55345 0.63004 0.57987 0.66597 0.00135 -0.03964 -0.00825
15.96275 0.58962 0.59064 0.66010 -0.00140 -0.01333 0.00059
16.37205 0.62267 0.62406 0.65383 -0.00450 -0.01823 0.00374
16.78135 0.62818 0.60460 0.63498 0.00535 -0.00249 0.00075
17.19065 0.65180 0.62950 0.66292 -0.00079 0.00719 0.00148
17.59996 0.69208 0.63978 0.65919 -0.00253 0.00881 0.00029
18.00926 0.69989 0.65388 0.66979 -0.00083 -0.00033 0.00098
18.41856 0.69362 0.67452 0.67710 0.00185 0.01398 0.00077
18.82786 0.72225 0.69551 0.70160 -0.00280 0.02179 -0.00284
19.23716 0.74718 0.70763 0.71438 -0.00135 0.02242 -0.00169
19.64646 0.75570 0.74351 0.70480 0.00184 0.01734 -0.00358
20.05576 0.75087 0.72992 0.69700 -0.00116 0.00733 0.00163
20.46506 0.72744 0.71571 0.69013 -0.00292 0.01757 -0.00064
20.87437 0.72355 0.70218 0.71402 -0.00223 0.00592 -0.00151
21.28367 0.74797 0.72078 0.71700 0.00433 0.00575 0.00298
21.69297 0.73798 0.73937 0.72193 0.00181 -0.00230 -0.00225
22.10227 0.75242 0.74195 0.72187 0.00126 0.00502 -0.00035
22.51157 0.75790 0.74367 0.74498 -0.00087 0.00468 0.00180
22.92087 0.75025 0.75348 0.75278 -0.00023 -0.00171 0.00001
23.33017 0.75414 0.76389 0.75609 -0.00152 0.00552 0.00317
23.73948 0.76602 0.77223 0.76430 0.00128 0.00044 0.00058
24.14878 0.78831 0.78996 0.78751 0.00065 -0.00583 -0.00178
24.55808 0.82406 0.82199 0.82038 -0.00022 -0.01092 -0.00146
24.96738 0.79467 0.79925 0.79711 0.00080 -0.00116 0.00061
25.37668 0.76765 0.78730 0.78207 -0.00074 -0.00157 -0.00158
25.78598 0.75185 0.77643 0.78653 -0.00031 -0.00889 0.00036
26.19528 0.75859 0.77305 0.75637 -0.00042 0.01008 0.00069
26.60458 0.75142 0.75767 0.75497 0.00142 0.00364 -0.00086
27.01389 0.74104 0.73452 0.72684 0.00032 0.00139 0.00048
27.42319 0.73747 0.73853 0.72877 -0.00268 -0.00285 0.00071
27.83249 0.74975 0.74325 0.74073 0.00002 0.00322 0.00097
28.24179 0.75372 0.74191 0.74348 0.00100 -0.00101 -0.00020
28.65109 0.74282 0.73920 0.73311 0.00080 0.00119 0.00012
29.06039 0.73267 0.73296 0.72926 -0.00058 0.00131 0.00021
29.46969 0.73034 0.73648 0.71792 0.00026 -0.00227 0.00016
29.87899 0.73473 0.74716 0.72558 -0.00012 -0.00068 -0.00038
30.28830 0.76709 0.77279 0.75697 0.00025 -0.00007 -0.00003
30.69760 0.78248 0.78632 0.77725 -0.00008 -0.00029 0.00022
31.10690 0.79476 0.79679 0.79013 0.00007 0.00135 -0.00034
31.51620 0.80909 0.81183 0.80442 -0.00010 0.00264 0.00021
31.92550 0.82165 0.82383 0.81970 0.00013 0.00316 0.00002
32.33480 0.83635 0.84058 0.83625 0.00005 0.00186 -0.00010
32.74410 0.84937 0.85257 0.85275 0.00009 0.00286 0.00002
33.15341 0.85815 0.86204 0.86421 -0.00022 0.00268 -0.00023
33.56271 0.86955 0.87334 0.87497 -0.00007 0.00182 0.00033
33.97201 0.87864 0.88305 0.88338 -0.00052 0.00236 -0.00002
34.38131 0.88915 0.89131 0.89415 -0.00022 0.00313 0.00026
34.79061 0.89284 0.89812 0.89960 -0.00023 0.00284 -0.00024
35.19991 0.90054 0.90387 0.90113 0.00026 0.00341 -0.00011
35.60921 0.91050 0.91373 0.90872 0.00015 0.00113 -0.00079
36.01851 0.91213 0.91895 0.91203 0.00038 0.00129 0.00060
36.42782 0.92077 0.92316 0.91502 0.00029 0.00063 -0.00008
36.83712 0.92732 0.93074 0.91961 0.00013 0.00246 0.00011
37.24642 0.93368 0.94013 0.92116 -0.00019 0.00256 -0.00031
37.65572 0.93991 0.93737 0.92269 -0.00001 0.00129 0.00029
38.06502 0.94227 0.94442 0.92712 -0.00031 0.00034 0.00015
38.47432 0.95119 0.94964 0.93058 -0.00055 0.00133 0.00010
38.88362 0.95544 0.95509 0.93518 0.00087 0.00202 -0.00043
39.29292 0.96043 0.96193 0.93642 0.00068 0.00230 0.00031
39.70223 0.96497 0.96196 0.93996 0.00056 0.00449 0.00047
40.11153 0.97133 0.97463 0.94411 0.00015 0.00430 -0.00001
40.52083 0.98963 0.99276 0.96218 0.00034 0.00266 -0.00000
40.93013 1.00936 1.01275 0.96589 -0.00026 0.00622 -0.00045
41.33943 1.06238 1.06797 0.98862 -0.00048 0.01273 -0.00017
41.74873 1.04495 1.05604 1.02828 0.00042 0.00838 -0.00223
42.15803 0.95120 0.93187 0.94901 0.00030 -0.02069 0.00265
42.56734 0.91455 0.86147 0.95319 -0.00431 -0.01359 0.00103
42.97664 0.83134 0.85229 0.90323 -0.00133 -0.00738 -0.00046
43.38594 0.87275 0.89331 0.91663 0.00106 -0.00987 0.00276
43.79524 0.87601 0.90328 0.90613 0.00351 -0.00564 -0.00014
44.20454 0.90291 0.92623 0.92153 0.00150 -0.00432 -0.00181
44.61384 0.87278 0.86771 0.88090 -0.00022 0.00959 -0.00348
45.02314 0.83665 0.85532 0.88302 0.00107 0.01218 0.00207
45.43244 0.83895 0.85696 0.87177 -0.00215 0.01977 0.00004
45.84175 0.81830 0.81165 0.82270 0.00090 0.00545 -0.00076
46.25105 0.83080 0.81973 0.83318 0.00003 0.00570 -0.00023
46.66035 0.82308 0.81406 0.81671 -0.00075 -0.00819 0.00038
47.06965 0.83088 0.82302 0.82200 -0.00037 -0.00647 0.00075
47.47895 0.84031 0.83323 0.83568 -0.00004 -0.00128 -0.00023
47.88825 0.83830 0.83464 0.83688 -0.00047 -0.00159 0.00036
48.29755 0.83068 0.82817 0.82920 0.00043 -0.00301 -0.00025
48.70685 0.82687 0.82895 0.83280 0.00024 -0.00388 0.00083
49.11616 0.82300 0.82472 0.82485 -0.00015 -0.00421 0.00039
49.52546 0.82767 0.82914 0.82653 -0.00007 -0.00421 0.00003
49.93476 0.84793 0.84920 0.84813 0.00003 -0.00386 0.00002
50.34406 0.86030 0.86170 0.85986 0.00009 -0.00402 0.00005
50.75336 0.86917 0.86917 0.86847 -0.00008 -0.00417 0.00001
51.16266 0.87589 0.87601 0.87608 -0.00007 -0.00439 0.00001
51.57196 0.88145 0.88146 0.88168 0.00024 -0.00314 0.00002
51.98126 0.88562 0.88416 0.88504 0.00008 -0.00227 0.00008
52.39057 0.89081 0.88882 0.88937 -0.00001 -0.00128 0.00003
52.79987 0.89413 0.89253 0.89292 -0.00005 -0.00095 -0.00005
53.20917 0.89831 0.89624 0.89628 -0.00001 0.00003 -0.00020
53.61847 0.90217 0.89998 0.90087 0.00010 -0.00014 0.00013
54.02777 0.90363 0.90162 0.90056 0.00001 0.00078 0.00003
54.43707 0.90502 0.90466 0.90281 0.00003 0.00064 -0.00009
54.84637 0.90665 0.90624 0.90443 -0.00002 0.00086 -0.00003
55.25568 0.90993 0.90999 0.90803 0.00001 0.00042 -0.00004
55.66498 0.91128 0.91242 0.90859 -0.00000 0.00019 0.00019
56.07428 0.91348 0.91340 0.91050 -0.00002 0.00011 0.00000
56.48358 0.91559 0.91509 0.91245 0.00001 0.00004 -0.00007
56.89288 0.91777 0.91725 0.91374 0.00002 -0.00006 0.00011
57.30218 0.92088 0.92012 0.91698 -0.00007 -0.00009 -0.00002
57.71148 0.92228 0.92133 0.91824 0.00004 0.00025 -0.00004
58.12078 0.92296 0.92260 0.91963 0.00016 0.00013 -0.00010
58.53009 0.92491 0.92450 0.92130 -0.00008 0.00007 0.00001
58.93939 0.92505 0.92528 0.92243 -0.00005 0.00001 0.00003
59.34869 0.92699 0.92799 0.92509 -0.00010 -0.00012 0.00002
59.75799 0.92779 0.92869 0.92625 0.00004 -0.00017 -0.00000
60.16729 0.92874 0.93005 0.92795 0.00006 -0.00002 0.00003
60.57659 0.93009 0.93091 0.92955 -0.00001 -0.00035 0.00004
60.98589 0.93185 0.93240 0.93063 -0.00004 -0.00030 -0.00005
61.39519 0.93296 0.93352 0.93190 -0.00001 -0.00006 0.00002
61.80450 0.93410 0.93443 0.93359 0.00004 -0.00034 -0.00004
62.21380 0.93516 0.93547 0.93460 -0.00001 -0.00041 0.00003
62.62310 0.93633 0.93646 0.93565 0.00002 -0.00005 -0.00002
63.03240 0.93742 0.93741 0.93652 0.00004 0.00024 -0.00002
63.44170 0.93834 0.93840 0.93768 0.00002 0.00017 -0.00003
63.85100 0.93938 0.93926 0.93886 -0.00003 0.00001 -0.00003
64.26030 0.94025 0.94016 0.93991 -0.00003 0.00004 0.00001
64.66961 0.94082 0.94090 0.94052 -0.00004 0.00008 0.00001
65.07891 0.94161 0.94180 0.94133 0.00003 -0.00003 -0.00001
65.48821 0.94233 0.94263 0.94204 0.00002 -0.00003 -0.00004
65.89751 0.94289 0.94342 0.94233 -0.00001 -0.00010 0.00000
66.30681 0.94362 0.94419 0.94297 0.00001 -0.00013 0.00001
66.71611 0.94495 0.94545 0.94435 -0.00000 -0.00015 0.00000
67.12541 0.94627 0.94667 0.94568 -0.00000 -0.00013 0.00000
67.53471 0.94736 0.94770 0.94678 -0.00000 -0.00012 0.00000
67.94402 0.94835 0.94865 0.94777 -0.00000 -0.00011 0.00000
68.35332 0.94927 0.94955 0.94869 -0.00000 -0.00011 0.00000
68.76262 0.95014 0.95040 0.94957 -0.00000 -0.00011 0.00000
69.17192 0.95097 0.95121 0.95040 -0.00000 -0.00011 0.00000
69.58122 0.95176 0.95199 0.95120 -0.00000 -0.00011 0.00000
69.99052 0.95253 0.95274 0.95198 -0.00000 -0.00011 0.00000
70.39982 0.95327 0.95347 0.95272 -0.00000 -0.00011 0.00000
70.80912 0.95398 0.95418 0.95344 -0.00000 -0.00011 0.00000
71.21843 0.95467 0.95486 0.95414 -0.00000 -0.00011 0.00000
71.62773 0.95535 0.95553 0.95482 -0.00000 -0.00010 0.00000
72.03703 0.95600 0.95617 0.95548 -0.00000 -0.00010 0.00000
72.44633 0.95663 0.95680 0.95612 0.00000 -0.00010 0.00000
72.85563 0.95725 0.95741 0.95674 0.00000 -0.00010 0.00000
73.26493 0.95785 0.95801 0.95735 0.00000 -0.00010 0.00000
73.67423 0.95844 0.95859 0.95794 0.00000 -0.00010 0.00000
74.08354 0.95901 0.95916 0.95851 0.00000 -0.00010 0.00000
74.49284 0.95957 0.95971 0.95908 0.00000 -0.00010 0.00000
74.90214 0.96011 0.96025 0.95963 0.00000 -0.00010 0.00000
75.31144 0.96064 0.96078 0.96016 0.00000 -0.00010 0.00000
75.72074 0.96116 0.96129 0.96069 0.00000 -0.00010 0.00000
76.13004 0.96167 0.96179 0.96120 0.00000 -0.00010 0.00000
76.53934 0.96216 0.96229 0.96170 0.00000 -0.00010 0.00000
76.94864 0.96265 0.96277 0.96219 0.00000 -0.00010 0.00000
77.35795 0.96312 0.96324 0.96267 0.00000 -0.00010 0.00000
77.76725 0.96359 0.96370 0.96314 0.00000 -0.00009 0.00000
78.17655 0.96404 0.96415 0.96360 0.00000 -0.00009 0.00000
78.58585 0.96449 0.96459 0.96405 0.00000 -0.00009 0.00000
78.99515 0.96492 0.96503 0.96449 0.00000 -0.00009 0.00000
79.40445 0.96535 0.96545 0.96492 0.00000 -0.00009 0.00000
79.81375 0.96577 0.96587 0.96534 0.00000 -0.00009 0.00000
80.22305 0.96618 0.96627 0.96576 0.00000 -0.00009 0.00000
80.63236 0.96658 0.96667 0.96616 0.00000 -0.00009 0.00000
81.04166 0.96697 0.96707 0.96656 0.00000 -0.00009 0.00000
81.45096 0.96735 0.96745 0.96695 0.00000 -0.00009 0.00000
81.86026 0.96773 0.96783 0.96733 0.00000 -0.00009 0.00000
82.26956 0.96811 0.96819 0.96771 0.00000 -0.00009 0.00000
82.67886 0.96847 0.96856 0.96808 0.00000 -0.00009 0.00000
83.08816 0.96883 0.96891 0.96844 0.00000 -0.00008 0.00000
83.49746 0.96918 0.96926 0.96880 0.00000 -0.00008 0.00000
83.90677 0.96953 0.96961 0.96915 0.00000 -0.00008 0.00000
84.31607 0.96986 0.96994 0.96949 0.00000 -0.00008 0.00000
84.72537 0.97020 0.97028 0.96982 0.00000 -0.00008 0.00000
85.13467 0.97052 0.97060 0.97015 0.00000 -0.00008 0.00000
85.54397 0.97084 0.97092 0.97048 0.00000 -0.00008 0.00000
85.95327 0.97116 0.97123 0.97080 0.00000 -0.00008 0.00000
86.36257 0.97147 0.97154 0.97111 0.00000 -0.00008 0.00000
86.77188 0.97177 0.97185 0.97142 0.00000 -0.00008 0.00000
87.18118 0.97207 0.97214 0.97172 0.00000 -0.00008 0.00000
87.59048 0.97237 0.97244 0.97202 0.00000 -0.00008 0.00000
87.99978 0.97266 0.97273 0.97231 0.00000 -0.00008 0.00000
88.40908 0.97294 0.97301 0.97260 0.00000 -0.00008 0.00000
88.81838 0.97322 0.97329 0.97288 0.00000 -0.00007 0.00000
89.22768 0.97350 0.97356 0.97316 0.00000 -0.00007 0.00000
89.63698 0.97377 0.97383 0.97344 -0.00000 -0.00007 0.00000
90.04629 0.97403 0.97410 0.97371 0.00000 -0.00007 0.00000
90.45559 0.97430 0.97436 0.97397 0.00000 -0.00007 0.00000
90.86489 0.97456 0.97462 0.97423 0.00000 -0.00007 0.00000
91.27419 0.97481 0.97487 0.97449 0.00000 -0.00007 0.00000
91.68349 0.97506 0.97512 0.97474 0.00000 -0.00007 0.00000
92.09279 0.97530 0.97536 0.97499 0.00000 -0.00007 0.00000
92.50209 0.97554 0.97560 0.97524 0.00000 -0.00007 0.00000
92.91139 0.97578 0.97584 0.97548 0.00000 -0.00007 0.00000
93.32070 0.97602 0.97607 0.97572 -0.00000 -0.00007 0.00000
93.73000 0.97625 0.97630 0.97595 -0.00000 -0.00007 0.00000
94.13930 0.97647 0.97653 0.97618 0.00000 -0.00007 0.00000
94.54860 0.97670 0.97675 0.97640 0.00000 -0.00007 0.00000
94.95790 0.97692 0.97697 0.97663 0.00000 -0.00007 0.00000
95.36720 0.97713 0.97719 0.97685 -0.00000 -0.00007 0.00000
95.77650 0.97735 0.97740 0.97706 0.00000 -0.00007 0.00000
96.18581 0.97756 0.97761 0.97728 0.00000 -0.00006 0.00000
96.59511 0.97777 0.97782 0.97749 0.00000 -0.00006 0.00000
97.00441 0.97797 0.97802 0.97770 0.00000 -0.00006 0.00000
97.41371 0.97818 0.97822 0.97790 0.00000 -0.00007 0.00000
97.82301 0.97837 0.97842 0.97810 0.00000 -0.00006 0.00000
98.23231 0.97857 0.97862 0.97830 -0.00000 -0.00006 0.00000
98.64161 0.97876 0.97881 0.97849 0.00000 -0.00006 0.00000
99.05091 0.97895 0.97900 0.97869 0.00000 -0.00006 0.00000
99.46022 0.97914 0.97919 0.97888 0.00000 -0.00006 0.00000
99.86952 0.97933 0.97937 0.97906 0.00000 -0.00006 0.00000
100.27882 0.97951 0.97955 0.97925 -0.00000 -0.00006 0.00000
100.68812 0.97969 0.97973 0.97943 0.00000 -0.00006 0.00000
101.09742 0.97987 0.97991 0.97961 0.00000 -0.00006 0.00000
101.50672 0.98004 0.98008 0.97979 0.00000 -0.00006 0.00000
101.91602 0.98021 0.98026 0.97996 0.00000 -0.00006 0.00000
102.32532 0.98039 0.98043 0.98014 0.00000 -0.00006 0.00000
102.73463 0.98056 0.98060 0.98031 0.00000 -0.00006 0.00000
103.14393 0.98072 0.98076 0.98048 0.00000 -0.00006 0.00000
103.55323 0.98089 0.98093 0.98064 0.00000 -0.00006 0.00000
103.96253 0.98105 0.98109 0.98081 0.00000 -0.00006 0.00000
104.37183 0.98121 0.98125 0.98097 0.00000 -0.00006 0.00000
104.78113 0.98137 0.98141 0.98113 0.00000 -0.00006 0.00000
105.19043 0.98152 0.98156 0.98129 0.00000 -0.00006 0.00000
105.59974 0.98168 0.98172 0.98144 0.00000 -0.00005 0.00000
106.00904 0.98183 0.98187 0.98160 0.00000 -0.00005 0.00000
106.41834 0.98198 0.98202 0.98175 0.00000 -0.00005 0.00000
106.82764 0.98213 0.98217 0.98190 0.00000 -0.00005 0.00000
107.23694 0.98228 0.98231 0.98205 0.00000 -0.00005 0.00000
107.64624 0.98242 0.98246 0.98219 0.00000 -0.00005 0.00000
108.05554 0.98256 0.98260 0.98234 0.00000 -0.00005 0.00000
108.46484 0.98270 0.98274 0.98248 0.00000 -0.00005 0.00000
108.87415 0.98284 0.98288 0.98262 0.00000 -0.00005 0.00000
109.28345 0.98298 0.98301 0.98276 0.00000 -0.00005 0.00000
109.69275 0.98311 0.98315 0.98290 0.00000 -0.00005 0.00000
110.10205 0.98325 0.98328 0.98303 0.00000 -0.00005 0.00000
110.51135 0.98338 0.98341 0.98317 0.00000 -0.00005 0.00000
110.92065 0.98351 0.98354 0.98330 0.00000 -0.00005 0.00000
111.32995 0.98364 0.98367 0.98343 0.00000 -0.00005 0.00000
111.73925 0.98377 0.98380 0.98356 0.00000 -0.00005 0.00000
112.14856 0.98389 0.98393 0.98369 0.00000 -0.00005 0.00000
112.55786 0.98402 0.98405 0.98381 0.00000 -0.00005 0.00000
112.96716 0.98414 0.98417 0.98394 0.00000 -0.00005 0.00000
113.37646 0.98426 0.98429 0.98406 0.00000 -0.00005 0.00000
113.78576 0.98438 0.98441 0.98418 0.00000 -0.00005 0.00000
114.19506 0.98450 0.98453 0.98430 0.00000 -0.00005 0.00000
114.60436 0.98462 0.98465 0.98442 0.00000 -0.00005 0.00000
115.01366 0.98474 0.98476 0.98454 0.00000 -0.00005 0.00000
115.42297 0.98485 0.98488 0.98465 0.00000 -0.00005 0.00000
115.83227 0.98496 0.98499 0.98477 0.00000 -0.00005 0.00000
116.24157 0.98508 0.98510 0.98488 0.00000 -0.00005 0.00000
116.65087 0.98519 0.98521 0.98499 0.00000 -0.00004 0.00000
117.06017 0.98530 0.98532 0.98511 0.00000 -0.00004 0.00000
117.46947 0.98540 0.98543 0.98521 0.00000 -0.00004 0.00000
117.87877 0.98551 0.98554 0.98532 0.00000 -0.00004 0.00000
118.28808 0.98562 0.98564 0.98543 0.00000 -0.00004 0.00000
118.69738 0.98572 0.98575 0.98554 0.00000 -0.00004 0.00000
119.10668 0.98582 0.98585 0.98564 0.00000 -0.00004 0.00000
119.51598 0.98593 0.98595 0.98574 0.00000 -0.00004 0.00000
119.92528 0.98603 0.98605 0.98585 0.00000 -0.00004 0.00000
120.33458 0.98613 0.98615 0.98595 0.00000 -0.00004 0.00000
120.74388 0.98623 0.98625 0.98605 0.00000 -0.00004 0.00000
121.15318 0.98633 0.98635 0.98615 0.00000 -0.00004 0.00000
121.56249 0.98642 0.98645 0.98625 0.00000 -0.00004 0.00000
121.97179 0.98652 0.98654 0.98634 0.00000 -0.00004 0.00000
122.38109 0.98661 0.98664 0.98644 0.00000 -0.00004 0.00000
The outermost node in the dielectric function lies at epsilon= 9.0
--------------------------------------------------------------------------------------------------------
volume of typ 1: 7.5 %
volume of typ 2: 2.6 %
volume of typ 3: 2.8 %
total charge
# of ion s p d tot
------------------------------------------
1 1.492 0.955 9.968 12.414
2 1.492 0.955 9.968 12.414
3 1.493 0.948 9.971 12.413
4 1.493 0.949 9.971 12.413
5 1.492 0.955 9.968 12.414
6 1.492 0.955 9.968 12.414
7 1.493 0.948 9.971 12.413
8 1.493 0.949 9.971 12.413
9 1.492 0.955 9.968 12.414
10 1.492 0.955 9.968 12.414
11 1.493 0.948 9.971 12.413
12 1.493 0.949 9.971 12.413
13 1.492 0.955 9.968 12.414
14 1.492 0.955 9.968 12.414
15 1.493 0.948 9.971 12.413
16 1.493 0.949 9.971 12.413
17 2.260 6.182 2.806 11.248
18 2.260 6.182 2.806 11.248
19 2.260 6.182 2.806 11.248
20 2.260 6.182 2.806 11.248
21 2.260 6.182 2.806 11.248
22 2.260 6.182 2.806 11.248
23 2.260 6.182 2.806 11.248
24 2.260 6.182 2.806 11.248
25 1.282 2.817 0.008 4.107
26 1.282 2.817 0.008 4.106
27 1.268 2.844 0.006 4.118
28 1.268 2.844 0.006 4.118
29 1.274 2.827 0.006 4.107
30 1.274 2.827 0.006 4.107
31 1.279 2.815 0.007 4.101
32 1.279 2.815 0.007 4.101
33 1.279 2.779 0.004 4.062
34 1.279 2.779 0.004 4.062
35 1.279 2.778 0.003 4.060
36 1.279 2.778 0.003 4.060
37 1.282 2.817 0.008 4.106
38 1.282 2.817 0.008 4.106
39 1.268 2.844 0.006 4.118
40 1.268 2.844 0.006 4.118
41 1.274 2.827 0.006 4.107
42 1.274 2.827 0.006 4.107
43 1.279 2.815 0.007 4.101
44 1.279 2.815 0.007 4.101
45 1.279 2.779 0.004 4.062
46 1.279 2.779 0.004 4.062
47 1.279 2.778 0.003 4.060
48 1.279 2.778 0.003 4.060
49 1.282 2.817 0.008 4.107
50 1.282 2.817 0.008 4.106
51 1.268 2.844 0.006 4.118
52 1.268 2.844 0.006 4.118
53 1.274 2.827 0.006 4.107
54 1.274 2.827 0.006 4.107
55 1.279 2.815 0.007 4.101
56 1.279 2.815 0.007 4.101
57 1.279 2.779 0.004 4.062
58 1.279 2.779 0.004 4.062
59 1.279 2.778 0.003 4.060
60 1.279 2.778 0.003 4.060
61 1.282 2.817 0.008 4.106
62 1.282 2.817 0.008 4.106
63 1.268 2.844 0.006 4.118
64 1.268 2.844 0.006 4.118
65 1.274 2.827 0.006 4.107
66 1.274 2.827 0.006 4.107
67 1.279 2.815 0.007 4.101
68 1.279 2.815 0.007 4.101
69 1.279 2.779 0.004 4.062
70 1.279 2.779 0.004 4.062
71 1.279 2.778 0.003 4.060
72 1.279 2.778 0.003 4.060
--------------------------------------------------
tot 103.25 199.56 182.23 485.03
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 0.00 0.00 -0.00 0.00
total amount of memory used by VASP MPI-rank0 157086. kBytes
=======================================================================
base : 30000. kBytes
nonl-proj : 14016. kBytes
fftplans : 6527. kBytes
grid : 7193. kBytes
one-center: 186. kBytes
wavefun : 99164. kBytes
General timing and accounting informations for this job:
========================================================
Total CPU time used (sec): 4645.693
User time (sec): 4478.453
System time (sec): 167.240
Elapsed time (sec): 4650.187
Maximum memory used (kb): 531596.
Average memory used (kb): N/A
Minor page faults: 181222
Major page faults: 0
Voluntary context switches: 4998