./Stage_1/DFTDOS OUTCAR.out output for 596: Bi2WO6_1_hb
Status:
finished
vasp.5.4.4.18Apr17-6-g9f103f2a35 (build May 12 2020 04:58:55) complex
MD_VERSION_INFO: Compiled 2020-05-12T11:58:55-UTC in devlin.sd.materialsdesign.
com:/home/medea2/data/build/wwolf/vasp-gpu5.4.4/13047/x86_64/src/src/build/std
from svn 13047
This VASP executable licensed from Materials Design, Inc.
executed on Lin64 date 2024.09.28 04:24:56
running on 64 total cores
distrk: each k-point on 64 cores, 1 groups
distr: one band on NCORES_PER_BAND= 1 cores, 64 groups
--------------------------------------------------------------------------------------------------------
INCAR:
POTCAR: PAW_PBE Bi_d 06Sep2000
POTCAR: PAW_PBE W 08Apr2002
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 !!! |
| |
| For optimal performance we recommend to set |
| NCORE= 4 - approx SQRT( number of cores) |
| NCORE specifies how many cores store one orbital (NPAR=cpu/NCORE). |
| This setting can greatly improve the performance of VASP for DFT. |
| The default, NCORE=1 might be grossly inefficient |
| on modern multi-core architectures or massively parallel machines. |
| Do your own testing !!!! |
| Unfortunately you need to use the default for GW and RPA calculations. |
| (for HF NCORE is supported but not extensively tested yet) |
| |
-----------------------------------------------------------------------------
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 08Apr2002
local pseudopotential read in
partial core-charges read in
partial kinetic energy density read in
atomic valenz-charges read in
non local Contribution for L= 2 read in
real space projection operators read in
non local Contribution for L= 2 read in
real space projection operators read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
PAW grid and wavefunctions read in
number of l-projection operators is LMAX = 6
number of lm-projection operators is LMMAX = 18
POTCAR: PAW_PBE O 08Apr2002
local pseudopotential read in
partial core-charges read in
partial kinetic energy density read in
kinetic energy density of atom read in
atomic valenz-charges read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
PAW grid and wavefunctions read in
number of l-projection operators is LMAX = 4
number of lm-projection operators is LMMAX = 8
-----------------------------------------------------------------------------
| |
| ADVICE TO THIS USER RUNNING 'VASP/VAMP' (HEAR YOUR MASTER'S VOICE ...): |
| |
| You have a (more or less) 'large supercell' and for larger cells |
| it might be more efficient to use real space projection opertators |
| So 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= 0.0040 (will be added to EATOM!!)
PAW_PBE W 08Apr2002 :
energy of atom 2 EATOM= -204.6103
kinetic energy error for atom= 0.0014 (will be added to EATOM!!)
PAW_PBE O 08Apr2002 :
energy of atom 3 EATOM= -432.3788
kinetic energy error for atom= 0.0208 (will be added to EATOM!!)
POSCAR: Bi2WO6_1_hb
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 0.024 0.016 0.076- 30 2.22 31 2.28 32 2.34 26 2.46 29 2.51 28 2.53 3 3.72 3 3.72
4 3.76 4 3.76 2 3.77 2 3.77
2 0.976 0.516 0.924- 29 2.22 32 2.28 31 2.34 25 2.46 30 2.51 27 2.53 4 3.72 4 3.72
3 3.76 3 3.76 1 3.77 1 3.77
3 0.476 0.516 0.076- 32 2.22 29 2.28 30 2.34 28 2.46 31 2.51 26 2.53 1 3.72 1 3.72
2 3.76 2 3.76 4 3.77 4 3.77
4 0.524 0.016 0.924- 31 2.22 30 2.28 29 2.34 27 2.46 32 2.51 25 2.53 2 3.72 2 3.72
1 3.76 1 3.76 3 3.77 3 3.77
5 0.975 0.029 0.424- 35 2.22 34 2.28 33 2.34 13 2.47 15 2.51 36 2.51 7 3.72 7 3.72
8 3.76 8 3.76 6 3.77 6 3.77
6 0.025 0.529 0.576- 36 2.22 33 2.28 34 2.34 14 2.47 16 2.51 35 2.51 8 3.72 8 3.72
7 3.76 7 3.76 5 3.77 5 3.77
7 0.525 0.529 0.424- 33 2.22 36 2.28 35 2.34 15 2.47 13 2.51 34 2.51 5 3.72 5 3.72
6 3.76 6 3.76 8 3.77 8 3.77
8 0.475 0.029 0.576- 34 2.22 35 2.28 36 2.34 16 2.47 14 2.51 33 2.51 6 3.72 6 3.72
5 3.76 5 3.76 7 3.77 7 3.77
9 0.496 0.992 0.250- 23 1.81 19 1.82 15 1.89 28 1.89 17 2.18 21 2.19
10 0.504 0.492 0.750- 24 1.81 20 1.82 16 1.89 27 1.89 18 2.18 22 2.19
11 0.004 0.492 0.250- 21 1.81 17 1.82 13 1.89 26 1.89 19 2.18 23 2.19
12 0.996 0.992 0.750- 22 1.81 18 1.82 14 1.89 25 1.89 20 2.18 24 2.19
13 0.918 0.425 0.357- 11 1.89 5 2.47 7 2.51
14 0.082 0.925 0.643- 12 1.89 6 2.47 8 2.51
15 0.582 0.925 0.357- 9 1.89 7 2.47 5 2.51
16 0.418 0.425 0.643- 10 1.89 8 2.47 6 2.51
17 0.273 0.672 0.271- 11 1.82 9 2.18
18 0.727 0.172 0.729- 12 1.82 10 2.18
19 0.227 0.172 0.271- 9 1.82 11 2.18
20 0.773 0.672 0.729- 10 1.82 12 2.18
21 0.788 0.731 0.229- 11 1.81 9 2.19
22 0.212 0.231 0.771- 12 1.81 10 2.19
23 0.712 0.231 0.229- 9 1.81 11 2.19
24 0.288 0.731 0.771- 10 1.81 12 2.19
25 0.924 0.911 0.858- 12 1.89 2 2.46 4 2.53
26 0.076 0.411 0.142- 11 1.89 1 2.46 3 2.53
27 0.576 0.411 0.858- 10 1.89 4 2.46 2 2.53
28 0.424 0.911 0.142- 9 1.89 3 2.46 1 2.53
29 0.741 0.739 0.002- 2 2.22 3 2.28 4 2.34 1 2.51
30 0.259 0.239 0.998- 1 2.22 4 2.28 3 2.34 2 2.51
31 0.759 0.239 0.002- 4 2.22 1 2.28 2 2.34 3 2.51
32 0.241 0.739 0.998- 3 2.22 2 2.28 1 2.34 4 2.51
33 0.759 0.753 0.502- 7 2.22 6 2.28 5 2.34 8 2.51
34 0.241 0.253 0.498- 8 2.22 5 2.28 6 2.34 7 2.51
35 0.741 0.253 0.502- 5 2.22 8 2.28 7 2.34 6 2.51
36 0.259 0.753 0.498- 6 2.22 7 2.28 8 2.34 5 2.51
LATTYP: Found a simple orthorhombic cell.
ALAT = 5.5161652500
B/A-ratio = 1.0008145931
C/A-ratio = 3.0254883136
Lattice vectors:
A1 = ( 5.5161652500, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 5.5206586800, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 16.6890935000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple orthorhombic supercell.
Subroutine GETGRP returns: Found 4 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 .
The point group associated with its full space group is C_2v.
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple orthorhombic supercell.
Subroutine GETGRP returns: Found 4 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 .
The point group associated with its full space group is C_2v.
Analysis of structural, dynamic, and magnetic symmetry:
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple orthorhombic supercell.
Subroutine GETGRP returns: Found 4 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 8 trial point group operations.
The magnetic configuration has the point symmetry C_1 .
The point group associated with its full space group is C_2v.
Subroutine INISYM returns: Found 4 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
KPOINTS: Automatic mesh
Automatic generation of k-mesh.
Space group operators:
irot det(A) alpha n_x n_y n_z tau_x tau_y tau_z
1 1.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000
2 -1.000000 180.000000 0.000000 0.000000 1.000000 0.500000 0.000000 0.000000
3 1.000000 180.000000 0.000000 1.000000 0.000000 0.000000 0.500000 0.000000
4 -1.000000 180.000000 1.000000 0.000000 0.000000 0.500000 0.500000 0.000000
Subroutine IBZKPT returns following result:
===========================================
Found 4 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 4.000000
Following cartesian coordinates:
Coordinates Weight
0.000000 0.000000 0.000000 1.000000
0.060428 0.000000 0.000000 2.000000
0.000000 0.060379 0.000000 2.000000
0.060428 0.060379 0.000000 4.000000
-----------------------------------------------------------------------------
| |
| 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 number of bands has been changed from the values supplied |
| in the INCAR file. This is a result of running the parallel version. |
| The orbitals not found in the WAVECAR file will be initialized with |
| random numbers, which is usually adequate. For correlated |
| calculations, however, you should redo the groundstate calculation. |
| I found NBANDS = 516 now NBANDS = 576 |
| |
-----------------------------------------------------------------------------
--------------------------------------------------------------------------------------------------------
Dimension of arrays:
k-points NKPTS = 4 k-points in BZ NKDIM = 4 number of bands NBANDS= 576
number of dos NEDOS = 3000 number of ions NIONS = 36
non local maximal LDIM = 6 non local SUM 2l+1 LMDIM = 18
total plane-waves NPLWV = 98304
max r-space proj IRMAX = 1 max aug-charges IRDMAX= 88516
dimension x,y,z NGX = 32 NGY = 32 NGZ = 96
dimension x,y,z NGXF= 64 NGYF= 64 NGZF= 192
support grid NGXF= 128 NGYF= 128 NGZF= 384
ions per type = 8 4 24
NGX,Y,Z is equivalent to a cutoff of 9.64, 9.64, 9.56 a.u.
NGXF,Y,Z is equivalent to a cutoff of 19.29, 19.27, 19.13 a.u.
SYSTEM = Bi2WO6_1_hb
POSCAR = Bi2WO6_1_hb
Startparameter for this run:
NWRITE = 1 write-flag & timer
PREC = normal normal or accurate (medium, high low for compatibility)
ISTART = 1 job : 0-new 1-cont 2-samecut
ICHARG = 11 charge: 1-file 2-atom 10-const
ISPIN = 2 spin polarized calculation?
LNONCOLLINEAR = F non collinear calculations
LSORBIT = F spin-orbit coupling
INIWAV = 1 electr: 0-lowe 1-rand 2-diag
LASPH = F aspherical Exc in radial PAW
METAGGA= F non-selfconsistent MetaGGA calc.
Electronic Relaxation 1
ENCUT = 520.0 eV 38.22 Ry 6.18 a.u. 10.26 10.26 31.03*2*pi/ulx,y,z
ENINI = 520.0 initial cutoff
ENAUG = 605.4 eV augmentation charge cutoff
NELM = 60; NELMIN= 2; NELMDL= 0 # of ELM steps
EDIFF = 0.1E-04 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-03 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 =****** mass= -0.695E-27a.u.
SCALEE = 1.0000 scale energy and forces
NPACO = 256; APACO = 16.0 distance and # of slots for P.C.
PSTRESS= 0.0 pullay stress
Mass of Ions in am
POMASS = 208.98183.85 16.00
Ionic Valenz
ZVAL = 15.00 6.00 6.00
Atomic Wigner-Seitz radii
RWIGS = 1.46 1.30 0.73
virtual crystal weights
VCA = 1.00 1.00 1.00
NELECT = 288.0000 total number of electrons
NUPDOWN= -1.0000 fix difference up-down
DOS related values:
EMIN = 10.00; EMAX =-10.00 energy-range for DOS
EFERMI = 0.00
ISMEAR = 0; SIGMA = 0.05 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 = 0.43E-08 absolut break condition
DEPER = 0.30 relativ break condition
TIME = 0.40 timestep for ELM
volume/ion in A,a.u. = 14.12 95.27
Fermi-wavevector in a.u.,A,eV,Ry = 1.354728 2.560064 24.970599 1.835287
Thomas-Fermi vector in A = 2.481875
Write flags
LWAVE = T write WAVECAR
LDOWNSAMPLE = F k-point downsampling of WAVECAR
LCHARG = F write CHGCAR
LVTOT = F write LOCPOT, total local potential
LVHAR = F write LOCPOT, Hartree potential only
LELF = F write electronic localiz. function (ELF)
LORBIT = 10 0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes
Dipole corrections
LMONO = F monopole corrections only (constant potential shift)
LDIPOL = F correct potential (dipole corrections)
IDIPOL = 0 1-x, 2-y, 3-z, 4-all directions
EPSILON= 1.0000000 bulk dielectric constant
Exchange correlation treatment:
GGA = -- GGA type
LEXCH = 8 internal setting for exchange type
VOSKOWN= 1 Vosko Wilk Nusair interpolation
LHFCALC = F Hartree Fock is set to
LHFONE = F Hartree Fock one center treatment
AEXX = 0.0000 exact exchange contribution
Linear response parameters
LEPSILON= F determine dielectric tensor
LRPA = F only Hartree local field effects (RPA)
LNABLA = F use nabla operator in PAW spheres
LVEL = F velocity operator in full k-point grid
LINTERFAST= F fast interpolation
KINTER = 0 interpolate to denser k-point grid
CSHIFT =0.1000 complex shift for real part using Kramers Kronig
OMEGAMAX= -1.0 maximum frequency
DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
RTIME = -0.100 relaxation time in fs
(WPLASMAI= 0.000 imaginary part of plasma frequency in eV, 0.658/RTIME)
DFIELD = 0.0000000 0.0000000 0.0000000 field for delta impulse in time
Orbital magnetization related:
ORBITALMAG= F switch on orbital magnetization
LCHIMAG = F perturbation theory with respect to B field
DQ = 0.001000 dq finite difference perturbation B field
LLRAUG = F two centre corrections for induced B field
--------------------------------------------------------------------------------------------------------
Static calculation
charge density and potential 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 432
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 : 520.00
volume of cell : 508.23
direct lattice vectors reciprocal lattice vectors
5.516165250 0.000000000 0.000000000 0.181285359 0.000000000 0.000000000
0.000000000 5.520658680 0.000000000 0.000000000 0.181137806 0.000000000
0.000000000 0.000000000 16.689093500 0.000000000 0.000000000 0.059919372
length of vectors
5.516165250 5.520658680 16.689093500 0.181285359 0.181137806 0.059919372
old parameters found on file WAVECAR:
energy-cutoff : 520.00
volume of cell : 508.23
direct lattice vectors reciprocal lattice vectors
5.516165250 0.000000000 0.000000000 0.181285359 0.000000000 0.000000000
0.000000000 5.520658680 0.000000000 0.000000000 0.181137806 0.000000000
0.000000000 0.000000000 16.689093500 0.000000000 0.000000000 0.059919372
length of vectors
k-points in units of 2pi/SCALE and weight: Automatic mesh
0.00000000 0.00000000 0.00000000 0.111
0.06042845 0.00000000 0.00000000 0.222
0.00000000 0.06037927 0.00000000 0.222
0.06042845 0.06037927 0.00000000 0.444
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 0.444
position of ions in fractional coordinates (direct lattice)
0.02421955 0.01571353 0.07637496
0.97578045 0.51571353 0.92362504
0.47578045 0.51571353 0.07637496
0.52421955 0.01571353 0.92362504
0.97547160 0.02916148 0.42354869
0.02452840 0.52916148 0.57645131
0.52452840 0.52916148 0.42354869
0.47547160 0.02916148 0.57645131
0.49566784 0.99178006 0.24982232
0.50433216 0.49178006 0.75017768
0.00433216 0.49178006 0.24982232
0.99566784 0.99178006 0.75017768
0.91819907 0.42535573 0.35692415
0.08180093 0.92535573 0.64307585
0.58180093 0.92535573 0.35692415
0.41819907 0.42535573 0.64307585
0.27291264 0.67238895 0.27082566
0.72708736 0.17238895 0.72917434
0.22708736 0.17238895 0.27082566
0.77291264 0.67238895 0.72917434
0.78829765 0.73130895 0.22912121
0.21170235 0.23130895 0.77087879
0.71170235 0.23130895 0.22912121
0.28829765 0.73130895 0.77087879
0.92421944 0.91088329 0.85760333
0.07578056 0.41088329 0.14239667
0.57578056 0.41088329 0.85760333
0.42421944 0.91088329 0.14239667
0.74102221 0.73897949 0.00205425
0.25897779 0.23897949 0.99794575
0.75897779 0.23897949 0.00205425
0.24102221 0.73897949 0.99794575
0.75915617 0.75292853 0.50197967
0.24084383 0.25292853 0.49802033
0.74084383 0.25292853 0.50197967
0.25915617 0.75292853 0.49802033
position of ions in cartesian coordinates (Angst):
0.13359904 0.08674904 1.27462885
5.38256621 2.84707838 15.41446465
2.62448358 2.84707838 1.27462885
2.89168167 0.08674904 15.41446465
5.38086254 0.16099058 7.06864369
0.13530271 2.92131992 9.62044981
2.89338533 2.92131992 7.06864369
2.62277992 0.16099058 9.62044981
2.73418571 5.47527920 4.16930806
2.78197954 2.71494986 12.51978544
0.02389691 2.71494986 4.16930806
5.49226834 5.47527920 12.51978544
5.06493780 2.34824380 5.95674051
0.45122745 5.10857314 10.73235299
3.20931007 5.10857314 5.95674051
2.30685518 2.34824380 10.73235299
1.50543122 3.71202989 4.51983476
4.01073403 0.95170055 12.16925874
1.25265140 0.95170055 4.51983476
4.26351385 3.71202989 12.16925874
4.34838010 4.03730710 3.82382530
1.16778515 1.27697776 12.86526820
3.92586777 1.27697776 3.82382530
1.59029748 4.03730710 12.86526820
5.09814716 5.02867574 14.31262216
0.41801809 2.26834640 2.37647134
3.17610072 2.26834640 14.31262216
2.34006453 5.02867574 2.37647134
4.08760096 4.07965354 0.03428357
1.42856429 1.31932420 16.65480993
4.18664691 1.31932420 0.03428357
1.32951834 4.07965354 16.65480993
4.18763088 4.15666142 8.37758565
1.32853437 1.39633208 8.31150785
4.08661699 1.39633208 8.37758565
1.42954826 4.15666142 8.31150785
--------------------------------------------------------------------------------------------------------
k-point 1 : 0.0000 0.0000 0.0000 plane waves: 13703
k-point 2 : 0.3333 0.0000 0.0000 plane waves: 13672
k-point 3 : 0.0000 0.3333 0.0000 plane waves: 13668
k-point 4 : 0.3333 0.3333 0.0000 plane waves: 13698
maximum and minimum number of plane-waves per node : 13703 13668
maximum number of plane-waves: 13703
maximum index in each direction:
IXMAX= 10 IYMAX= 10 IZMAX= 31
IXMIN= -10 IYMIN= -10 IZMIN= -31
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 42 to avoid them
WARNING: aliasing errors must be expected set NGY to 42 to avoid them
WARNING: aliasing errors must be expected set NGZ to 126 to avoid them
serial 3D FFT for wavefunctions
parallel 3D FFT for charge:
minimum data exchange during FFTs selected (reduces bandwidth)
total amount of memory used by VASP MPI-rank0 90408. kBytes
=======================================================================
base : 30000. kBytes
nonl-proj : 31703. kBytes
fftplans : 2232. kBytes
grid : 8987. kBytes
one-center: 1119. kBytes
wavefun : 16367. kBytes
INWAV: cpu time 5.3580: real time 5.3684
initial charge density was supplied:
number of electron 288.0000007 magnetization -0.0001573
keeping initial charge density in first step
--------------------------------------------------------------------------------------------------------
Maximum index for augmentation-charges 2345 (set IRDMAX)
--------------------------------------------------------------------------------------------------------
First call to EWALD: gamma= 0.222
Maximum number of real-space cells 4x 4x 2
Maximum number of reciprocal cells 2x 2x 5
FEWALD: cpu time 0.0024: real time 0.0033
--------------------------------------- Iteration 1( 1) ---------------------------------------
POTLOK: cpu time 0.1065: real time 0.1126
SETDIJ: cpu time 0.1757: real time 0.1761
EDDAV: cpu time 44.8715: real time 44.9891
--------------------------------------------
LOOP: cpu time 45.1562: real time 45.2805
eigenvalue-minimisations : 9216
total energy-change (2. order) :-0.2628121E+03 (-0.5713714E+00)
number of electron 288.0000007 magnetization -0.0001573
augmentation part 288.0000007 magnetization -0.0001573
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1108.26457956
Ewald energy TEWEN = -20534.67687663
-Hartree energ DENC = -7248.39373599
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 889.73017104
PAW double counting = 30364.32566351 -29913.58546395
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -1797.10772561
atomic energy EATOM = 26868.63125038
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -262.81213768 eV
energy without entropy = -262.81213768 energy(sigma->0) = -262.81213768
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 2) ---------------------------------------
EDDIAG: cpu time 8.8209: real time 8.8423
RMM-DIIS: cpu time 41.1371: real time 41.2171
ORTHCH: cpu time 1.5144: real time 1.5183
--------------------------------------------
LOOP: cpu time 51.4731: real time 51.5785
eigenvalue-minimisations : 14965
total energy-change (2. order) :-0.2628775E+00 (-0.2628775E+00)
number of electron 288.0000007 magnetization -0.0001573
augmentation part 288.0000007 magnetization -0.0001573
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1108.26457956
Ewald energy TEWEN = -20534.67687663
-Hartree energ DENC = -7248.39373599
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 889.73017104
PAW double counting = 30364.32566351 -29913.58546395
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -1797.37060310
atomic energy EATOM = 26868.63125038
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -263.07501517 eV
energy without entropy = -263.07501517 energy(sigma->0) = -263.07501517
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 3) ---------------------------------------
EDDIAG: cpu time 8.5416: real time 8.5696
RMM-DIIS: cpu time 40.2359: real time 40.3139
ORTHCH: cpu time 1.5189: real time 1.5231
--------------------------------------------
LOOP: cpu time 50.2960: real time 50.4062
eigenvalue-minimisations : 15415
total energy-change (2. order) : 0.9958529E-02 (-0.6659777E-02)
number of electron 288.0000007 magnetization -0.0001573
augmentation part 288.0000007 magnetization -0.0001573
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1108.26457956
Ewald energy TEWEN = -20534.67687663
-Hartree energ DENC = -7248.39373599
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 889.73017104
PAW double counting = 30364.32566351 -29913.58546395
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -1797.36064457
atomic energy EATOM = 26868.63125038
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -263.06505664 eV
energy without entropy = -263.06505664 energy(sigma->0) = -263.06505664
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 4) ---------------------------------------
EDDIAG: cpu time 8.5607: real time 8.5835
RMM-DIIS: cpu time 41.0364: real time 41.1254
ORTHCH: cpu time 1.5238: real time 1.5281
--------------------------------------------
LOOP: cpu time 51.1213: real time 51.2375
eigenvalue-minimisations : 15950
total energy-change (2. order) : 0.7363805E-04 (-0.3172265E-03)
number of electron 288.0000007 magnetization -0.0001573
augmentation part 288.0000007 magnetization -0.0001573
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1108.26457956
Ewald energy TEWEN = -20534.67687663
-Hartree energ DENC = -7248.39373599
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 889.73017104
PAW double counting = 30364.32566351 -29913.58546395
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -1797.36057093
atomic energy EATOM = 26868.63125038
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -263.06498300 eV
energy without entropy = -263.06498300 energy(sigma->0) = -263.06498300
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 5) ---------------------------------------
EDDIAG: cpu time 8.5411: real time 8.5583
RMM-DIIS: cpu time 42.2212: real time 42.3113
ORTHCH: cpu time 1.5324: real time 1.5349
--------------------------------------------
LOOP: cpu time 52.2945: real time 52.4042
eigenvalue-minimisations : 16319
total energy-change (2. order) :-0.3891164E-05 (-0.1939287E-04)
number of electron 288.0000007 magnetization -0.0001573
augmentation part 288.0000007 magnetization -0.0001573
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1108.26457956
Ewald energy TEWEN = -20534.67687663
-Hartree energ DENC = -7248.39373599
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 889.73017104
PAW double counting = 30364.32566351 -29913.58546395
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -1797.36057482
atomic energy EATOM = 26868.63125038
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -263.06498690 eV
energy without entropy = -263.06498690 energy(sigma->0) = -263.06498690
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 6) ---------------------------------------
EDDIAG: cpu time 8.9952: real time 9.0196
RMM-DIIS: cpu time 37.6843: real time 37.7663
ORTHCH: cpu time 1.5318: real time 1.5346
--------------------------------------------
LOOP: cpu time 48.2106: real time 48.3200
eigenvalue-minimisations : 14433
total energy-change (2. order) : 0.1616354E-07 (-0.1168361E-05)
number of electron 288.0000007 magnetization -0.0001573
augmentation part 288.0000007 magnetization -0.0001573
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1108.26457956
Ewald energy TEWEN = -20534.67687663
-Hartree energ DENC = -7248.39373599
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 889.73017104
PAW double counting = 30364.32566351 -29913.58546395
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -1797.36057481
atomic energy EATOM = 26868.63125038
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -263.06498688 eV
energy without entropy = -263.06498688 energy(sigma->0) = -263.06498688
--------------------------------------------------------------------------------------------------------
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)
1-105.4074 2-105.4074 3-105.4074 4-105.4074 5-105.3716
6-105.3716 7-105.3716 8-105.3716 9 -42.0619 10 -42.0619
11 -42.0619 12 -42.0619 13 -69.4567 14 -69.4567 15 -69.4567
16 -69.4567 17 -70.0806 18 -70.0806 19 -70.0806 20 -70.0806
21 -70.1362 22 -70.1362 23 -70.1362 24 -70.1362 25 -69.4278
26 -69.4278 27 -69.4278 28 -69.4278 29 -69.4707 30 -69.4707
31 -69.4707 32 -69.4707 33 -69.4306 34 -69.4306 35 -69.4306
36 -69.4306
E-fermi : 4.7265 XC(G=0): -10.6826 alpha+bet :-11.5096
spin component 1
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
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3 -17.4750 1.00000
4 -17.4498 1.00000
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494 44.0717 0.00000
495 44.1182 0.00000
496 44.3573 0.00000
497 44.5331 0.00000
498 44.6719 0.00000
499 44.7527 0.00000
500 44.8306 0.00000
501 45.0569 0.00000
502 44.9081 0.00000
503 44.8894 0.00000
504 45.3764 0.00000
505 45.3534 0.00000
506 45.2772 0.00000
507 45.3652 0.00000
508 45.7885 0.00000
509 45.6998 0.00000
510 45.9365 0.00000
511 45.9739 0.00000
512 46.1093 0.00000
513 46.1645 0.00000
514 46.3610 0.00000
515 46.5948 0.00000
516 46.6494 0.00000
517 46.8214 0.00000
518 46.9529 0.00000
519 47.0413 0.00000
520 46.9060 0.00000
521 47.1087 0.00000
522 47.3063 0.00000
523 47.4584 0.00000
524 47.6763 0.00000
525 47.9484 0.00000
526 48.2258 0.00000
527 48.1766 0.00000
528 48.4756 0.00000
529 48.8622 0.00000
530 48.6538 0.00000
531 48.8442 0.00000
532 48.8187 0.00000
533 49.0593 0.00000
534 49.1242 0.00000
535 49.9498 0.00000
536 49.7620 0.00000
537 49.9506 0.00000
538 50.2871 0.00000
539 50.3740 0.00000
540 50.5188 0.00000
541 51.0104 0.00000
542 51.3953 0.00000
543 51.0026 0.00000
544 51.2850 0.00000
545 51.2735 0.00000
546 51.2904 0.00000
547 51.7294 0.00000
548 52.1082 0.00000
549 52.1911 0.00000
550 52.4431 0.00000
551 53.1184 0.00000
552 53.3169 0.00000
553 53.3447 0.00000
554 53.5807 0.00000
555 54.1179 0.00000
556 54.3332 0.00000
557 54.6949 0.00000
558 54.5754 0.00000
559 54.7813 0.00000
560 55.4446 0.00000
561 55.5996 0.00000
562 55.5067 0.00000
563 55.9931 0.00000
564 56.4690 0.00000
565 56.7205 0.00000
566 56.8686 0.00000
567 56.9074 0.00000
568 57.4787 0.00000
569 58.0738 0.00000
570 58.7714 0.00000
571 58.8079 0.00000
572 59.2638 0.00000
573 59.7706 0.00000
574 59.7508 0.00000
575 60.1005 0.00000
576 61.0137 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
-18.169 -0.010 0.001 -0.020 -0.001 4.224 0.005 -0.001
-0.010 -18.169 -0.011 -0.001 0.009 0.005 4.226 0.006
0.001 -0.011 -18.192 -0.007 0.004 -0.001 0.006 4.239
-0.020 -0.001 -0.007 -18.176 -0.006 0.011 0.001 0.004
-0.001 0.009 0.004 -0.006 -18.179 0.001 -0.005 -0.002
4.224 0.005 -0.001 0.011 0.001 5.670 -0.002 0.000
0.005 4.226 0.006 0.001 -0.005 -0.002 5.670 -0.002
-0.001 0.006 4.239 0.004 -0.002 0.000 -0.002 5.669
0.011 0.001 0.004 4.230 0.003 -0.004 -0.000 -0.001
0.001 -0.005 -0.002 0.003 4.230 0.000 0.004 0.001
0.002 -0.005 0.004 -0.005 0.000 0.002 0.003 0.005
-0.002 0.009 -0.005 0.008 -0.000 -0.002 -0.006 -0.006
0.008 -0.020 -0.005 -0.000 -0.008 -0.001 0.003 0.000
-0.000 0.008 -0.024 0.007 0.000 -0.000 -0.001 0.001
0.008 -0.000 -0.004 -0.020 0.008 -0.001 -0.000 0.000
0.012 -0.033 -0.008 -0.000 -0.013 -0.000 0.001 -0.001
-0.000 0.013 -0.039 0.012 0.000 -0.000 -0.000 -0.004
0.013 -0.000 -0.007 -0.033 0.013 0.001 -0.000 -0.001
pseudopotential strength for first ion, spin component: 2
-18.169 -0.010 0.001 -0.020 -0.001 4.224 0.005 -0.001
-0.010 -18.169 -0.011 -0.001 0.009 0.005 4.226 0.006
0.001 -0.011 -18.192 -0.007 0.004 -0.001 0.006 4.239
-0.020 -0.001 -0.007 -18.176 -0.006 0.011 0.001 0.004
-0.001 0.009 0.004 -0.006 -18.179 0.001 -0.005 -0.002
4.224 0.005 -0.001 0.011 0.001 5.670 -0.002 0.000
0.005 4.226 0.006 0.001 -0.005 -0.002 5.670 -0.002
-0.001 0.006 4.239 0.004 -0.002 0.000 -0.002 5.669
0.011 0.001 0.004 4.230 0.003 -0.004 -0.000 -0.001
0.001 -0.005 -0.002 0.003 4.230 0.000 0.004 0.001
0.002 -0.005 0.004 -0.005 0.000 0.002 0.003 0.005
-0.002 0.009 -0.005 0.008 -0.000 -0.002 -0.006 -0.006
0.008 -0.020 -0.005 -0.000 -0.008 -0.001 0.003 0.000
-0.000 0.008 -0.024 0.007 0.000 -0.000 -0.001 0.001
0.008 -0.000 -0.004 -0.020 0.008 -0.001 -0.000 0.000
0.012 -0.033 -0.008 -0.000 -0.013 -0.000 0.001 -0.001
-0.000 0.013 -0.039 0.012 0.000 -0.000 -0.000 -0.004
0.013 -0.000 -0.007 -0.033 0.013 0.001 -0.000 -0.001
total augmentation occupancy for first ion, spin component: 1
2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 2.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
total augmentation occupancy for first ion, spin component: 2
0.133 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.133 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.133 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.133 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.133 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.133 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.067 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.067 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.067 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
total charge
# of ion s p d tot
------------------------------------------
1 1.639 0.850 10.020 12.509
2 1.639 0.849 10.019 12.508
3 1.639 0.849 10.019 12.508
4 1.639 0.850 10.020 12.509
5 1.641 0.848 10.020 12.509
6 1.639 0.849 10.020 12.509
7 1.639 0.849 10.020 12.509
8 1.641 0.848 10.020 12.509
9 0.718 1.031 4.183 5.932
10 0.718 1.030 4.182 5.930
11 0.718 1.030 4.182 5.930
12 0.718 1.031 4.183 5.932
13 1.576 3.433 0.000 5.009
14 1.576 3.435 0.000 5.012
15 1.576 3.435 0.000 5.012
16 1.576 3.433 0.000 5.009
17 1.573 3.458 0.000 5.032
18 1.569 3.485 0.000 5.054
19 1.569 3.485 0.000 5.054
20 1.573 3.458 0.000 5.032
21 1.570 3.478 0.000 5.048
22 1.574 3.454 0.000 5.027
23 1.574 3.454 0.000 5.027
24 1.570 3.478 0.000 5.048
25 1.576 3.432 0.000 5.008
26 1.576 3.434 0.000 5.010
27 1.576 3.434 0.000 5.010
28 1.576 3.432 0.000 5.008
29 1.577 3.420 0.000 4.997
30 1.577 3.419 0.000 4.996
31 1.577 3.419 0.000 4.996
32 1.577 3.420 0.000 4.997
33 1.577 3.420 0.000 4.997
34 1.577 3.420 0.000 4.997
35 1.577 3.420 0.000 4.997
36 1.577 3.420 0.000 4.997
--------------------------------------------------
tot 53.787 93.492 96.888 244.167
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
--------------------------------------------------
tot 0.000 -0.000 0.000 0.000
CHARGE: cpu time 0.4386: real time 0.4410
FORLOC: cpu time 0.0092: real time 0.0092
FORNL : cpu time 6.0901: real time 6.0999
FORCOR: cpu time 0.2340: real time 0.2345
FORHAR: cpu time 0.0136: real time 0.0136
OFIELD: cpu time 0.0001: real time 0.0001
---------------------------------------------------------------------------------------------
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) -8.29698
E6 (eV) : -4.7943
E8 (eV) : -3.5027
% E8 : 42.22
FORVDW: cpu time 0.5050: real time 0.5091
VOLUME and BASIS-vectors are now :
-----------------------------------------------------------------------------
energy-cutoff : 520.00
volume of cell : 508.23
direct lattice vectors reciprocal lattice vectors
5.516165250 0.000000000 0.000000000 0.181285359 0.000000000 0.000000000
0.000000000 5.520658680 0.000000000 0.000000000 0.181137806 0.000000000
0.000000000 0.000000000 16.689093500 0.000000000 0.000000000 0.059919372
length of vectors
5.516165250 5.520658680 16.689093500 0.181285359 0.181137806 0.059919372
FORCES acting on ions
electron-ion (+dipol) ewald-force non-local-force convergence-correction
-----------------------------------------------------------------------------------------------
0.104E+03 0.719E+02 -.396E+03 -.109E+03 -.773E+02 0.408E+03 0.480E+01 0.540E+01 -.126E+02 -.108E-01 -.907E-02 -.655E-02
-.104E+03 0.719E+02 0.396E+03 0.109E+03 -.773E+02 -.408E+03 -.480E+01 0.540E+01 0.126E+02 0.108E-01 -.907E-02 0.655E-02
-.104E+03 0.719E+02 -.396E+03 0.109E+03 -.773E+02 0.408E+03 -.480E+01 0.540E+01 -.126E+02 0.108E-01 -.907E-02 -.655E-02
0.104E+03 0.719E+02 0.396E+03 -.109E+03 -.773E+02 -.408E+03 0.480E+01 0.540E+01 0.126E+02 -.108E-01 -.907E-02 0.655E-02
-.107E+03 0.757E+02 0.387E+03 0.112E+03 -.811E+02 -.399E+03 -.503E+01 0.536E+01 0.123E+02 -.162E-01 0.861E-02 -.374E-01
0.107E+03 0.757E+02 -.387E+03 -.112E+03 -.811E+02 0.399E+03 0.503E+01 0.536E+01 -.123E+02 0.162E-01 0.861E-02 0.374E-01
0.107E+03 0.757E+02 0.387E+03 -.112E+03 -.811E+02 -.399E+03 0.503E+01 0.536E+01 0.123E+02 0.162E-01 0.861E-02 -.374E-01
-.107E+03 0.757E+02 -.387E+03 0.112E+03 -.811E+02 0.399E+03 -.503E+01 0.536E+01 -.123E+02 -.162E-01 0.861E-02 0.374E-01
-.437E+01 0.817E+01 -.835E+00 0.420E+01 -.736E+01 0.868E+00 0.164E+00 -.770E+00 -.359E-01 0.990E-03 0.153E-02 0.274E-03
0.437E+01 0.817E+01 0.835E+00 -.420E+01 -.736E+01 -.868E+00 -.164E+00 -.770E+00 0.359E-01 -.990E-03 0.153E-02 -.274E-03
0.437E+01 0.817E+01 -.835E+00 -.420E+01 -.736E+01 0.868E+00 -.164E+00 -.770E+00 -.359E-01 -.990E-03 0.153E-02 0.274E-03
-.437E+01 0.817E+01 0.835E+00 0.420E+01 -.736E+01 -.868E+00 0.164E+00 -.770E+00 0.359E-01 0.990E-03 0.153E-02 -.274E-03
-.352E+02 -.412E+02 0.898E+02 0.335E+02 0.408E+02 -.735E+02 0.170E+01 0.471E+00 -.163E+02 0.101E-02 0.253E-02 -.248E-01
0.352E+02 -.412E+02 -.898E+02 -.335E+02 0.408E+02 0.735E+02 -.170E+01 0.471E+00 0.163E+02 -.101E-02 0.253E-02 0.248E-01
0.352E+02 -.412E+02 0.898E+02 -.335E+02 0.408E+02 -.735E+02 -.170E+01 0.471E+00 -.163E+02 -.101E-02 0.253E-02 -.248E-01
-.352E+02 -.412E+02 -.898E+02 0.335E+02 0.408E+02 0.735E+02 0.170E+01 0.471E+00 0.163E+02 0.101E-02 0.253E-02 0.248E-01
-.241E+02 -.333E+01 -.409E+01 0.380E+02 0.836E+01 0.102E+02 -.138E+02 -.504E+01 -.607E+01 -.249E-01 -.791E-02 -.168E-01
0.241E+02 -.333E+01 0.409E+01 -.380E+02 0.836E+01 -.102E+02 0.138E+02 -.504E+01 0.607E+01 0.249E-01 -.791E-02 0.168E-01
0.241E+02 -.333E+01 -.409E+01 -.380E+02 0.836E+01 0.102E+02 0.138E+02 -.504E+01 -.607E+01 0.249E-01 -.791E-02 -.168E-01
-.241E+02 -.333E+01 0.409E+01 0.380E+02 0.836E+01 -.102E+02 -.138E+02 -.504E+01 0.607E+01 -.249E-01 -.791E-02 0.168E-01
0.400E+01 -.319E+02 0.504E+01 -.125E+02 0.434E+02 -.112E+02 0.847E+01 -.115E+02 0.610E+01 0.128E-01 -.187E-01 0.147E-01
-.400E+01 -.319E+02 -.504E+01 0.125E+02 0.434E+02 0.112E+02 -.847E+01 -.115E+02 -.610E+01 -.128E-01 -.187E-01 -.147E-01
-.400E+01 -.319E+02 0.504E+01 0.125E+02 0.434E+02 -.112E+02 -.847E+01 -.115E+02 0.610E+01 -.128E-01 -.187E-01 0.147E-01
0.400E+01 -.319E+02 -.504E+01 -.125E+02 0.434E+02 0.112E+02 0.847E+01 -.115E+02 -.610E+01 0.128E-01 -.187E-01 -.147E-01
-.371E+02 -.366E+02 0.918E+02 0.361E+02 0.356E+02 -.755E+02 0.955E+00 0.984E+00 -.163E+02 0.660E-02 0.813E-02 -.146E-01
0.371E+02 -.366E+02 -.918E+02 -.361E+02 0.356E+02 0.755E+02 -.955E+00 0.984E+00 0.163E+02 -.660E-02 0.813E-02 0.146E-01
0.371E+02 -.366E+02 0.918E+02 -.361E+02 0.356E+02 -.755E+02 -.955E+00 0.984E+00 -.163E+02 -.660E-02 0.813E-02 -.146E-01
-.371E+02 -.366E+02 -.918E+02 0.361E+02 0.356E+02 0.755E+02 0.955E+00 0.984E+00 0.163E+02 0.660E-02 0.813E-02 0.146E-01
-.282E+01 -.148E+02 -.578E+02 0.341E+01 0.189E+02 0.621E+02 -.585E+00 -.423E+01 -.436E+01 0.778E-03 0.337E-02 0.637E-02
0.282E+01 -.148E+02 0.578E+02 -.341E+01 0.189E+02 -.621E+02 0.585E+00 -.423E+01 0.436E+01 -.778E-03 0.337E-02 -.637E-02
0.282E+01 -.148E+02 -.578E+02 -.341E+01 0.189E+02 0.621E+02 0.585E+00 -.423E+01 -.436E+01 -.778E-03 0.337E-02 0.637E-02
-.282E+01 -.148E+02 0.578E+02 0.341E+01 0.189E+02 -.621E+02 -.585E+00 -.423E+01 0.436E+01 0.778E-03 0.337E-02 -.637E-02
0.288E+01 -.145E+02 -.591E+02 -.346E+01 0.186E+02 0.636E+02 0.563E+00 -.414E+01 -.447E+01 0.626E-03 -.233E-02 -.835E-02
-.288E+01 -.145E+02 0.591E+02 0.346E+01 0.186E+02 -.636E+02 -.563E+00 -.414E+01 0.447E+01 -.626E-03 -.233E-02 0.835E-02
-.288E+01 -.145E+02 -.591E+02 0.346E+01 0.186E+02 0.636E+02 -.563E+00 -.414E+01 -.447E+01 -.626E-03 -.233E-02 -.835E-02
0.288E+01 -.145E+02 0.591E+02 -.346E+01 0.186E+02 -.636E+02 0.563E+00 -.414E+01 0.447E+01 0.626E-03 -.233E-02 0.835E-02
-----------------------------------------------------------------------------------------------
0.404E-10 0.539E+02 0.225E-05 0.693E-13 0.426E-13 0.533E-12 0.000E+00 -.539E+02 0.266E-14 -.632E-09 -.555E-01 0.440E-09
POSITION TOTAL-FORCE (eV/Angst)
-----------------------------------------------------------------------------------
0.13360 0.08675 1.27463 -0.041985 0.021943 0.065789
5.38257 2.84708 15.41446 0.041985 0.021943 -0.065789
2.62448 2.84708 1.27463 0.041985 0.021943 0.065789
2.89168 0.08675 15.41446 -0.041985 0.021943 -0.065789
5.38086 0.16099 7.06864 0.036293 0.023892 -0.048729
0.13530 2.92132 9.62045 -0.036293 0.023892 0.048729
2.89339 2.92132 7.06864 -0.036293 0.023892 -0.048729
2.62278 0.16099 9.62045 0.036293 0.023892 0.048729
2.73419 5.47528 4.16931 -0.004646 0.054948 -0.001658
2.78198 2.71495 12.51979 0.004646 0.054948 0.001658
0.02390 2.71495 4.16931 0.004646 0.054948 -0.001658
5.49227 5.47528 12.51979 -0.004646 0.054948 0.001658
5.06494 2.34824 5.95674 0.021436 0.017568 -0.036421
0.45123 5.10857 10.73235 -0.021436 0.017568 0.036421
3.20931 5.10857 5.95674 -0.021436 0.017568 -0.036421
2.30686 2.34824 10.73235 0.021436 0.017568 0.036421
1.50543 3.71203 4.51983 -0.006355 -0.017533 0.003521
4.01073 0.95170 12.16926 0.006355 -0.017533 -0.003521
1.25265 0.95170 4.51983 0.006355 -0.017533 0.003521
4.26351 3.71203 12.16926 -0.006355 -0.017533 -0.003521
4.34838 4.03731 3.82383 0.005939 -0.024456 -0.018015
1.16779 1.27698 12.86527 -0.005939 -0.024456 0.018015
3.92587 1.27698 3.82383 -0.005939 -0.024456 -0.018015
1.59030 4.03731 12.86527 0.005939 -0.024456 0.018015
5.09815 5.02868 14.31262 0.017548 0.014726 -0.037218
0.41802 2.26835 2.37647 -0.017548 0.014726 0.037218
3.17610 2.26835 14.31262 -0.017548 0.014726 -0.037218
2.34006 5.02868 2.37647 0.017548 0.014726 0.037218
4.08760 4.07965 0.03428 0.006760 -0.046545 -0.037192
1.42856 1.31932 16.65481 -0.006760 -0.046545 0.037192
4.18665 1.31932 0.03428 -0.006760 -0.046545 -0.037192
1.32952 4.07965 16.65481 0.006760 -0.046545 0.037192
4.18763 4.15666 8.37759 -0.010973 -0.044543 -0.034386
1.32853 1.39633 8.31151 0.010973 -0.044543 0.034386
4.08662 1.39633 8.37759 0.010973 -0.044543 -0.034386
1.42955 4.15666 8.31151 -0.010973 -0.044543 0.034386
-----------------------------------------------------------------------------------
total drift: -0.000000 0.007914 0.000002
--------------------------------------------------------------------------------------------------------
FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
---------------------------------------------------
free energy TOTEN = -271.3619644610 eV
energy without entropy= -271.3619644610 energy(sigma->0) = -271.36196446
--------------------------------------------------------------------------------------------------------
POTLOK: cpu time 0.2464: real time 0.2469
--------------------------------------------------------------------------------------------------------
writing wavefunctions
LOOP+: cpu time 313.5303: real time 317.7584
--------------------------------------------------------------------------------------------------------
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)
--------------------------------------------------------------------------------------
626.475 0.000 0.000 0.000 0.000 0.000
0.000 0.000 623.972 0.000 0.000 0.000
0.000 0.000 0.000 0.000 628.336 0.000
--------------------------------------------------------------------------------------
sumrule: sum of plasma frequencies squared should yield (valence only): 781.366
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 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
frequency dependent IMAGINARY DIELECTRIC FUNCTION (independent particle, no local field effects) density-density
E(ev) X Y Z XY YZ ZX
--------------------------------------------------------------------------------------------------------------
0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.31685E+00 0.13059E-01 0.12116E-01 0.14094E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.63369E+00 0.26992E-01 0.25034E-01 0.29184E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.95054E+00 0.42884E-01 0.39761E-01 0.46503E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.12674E+01 0.62386E-01 0.57911E-01 0.67900E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.15842E+01 0.88631E-01 0.83383E-01 0.96740E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.19011E+01 0.13000E+00 0.15084E+00 0.14198E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.22179E+01 0.24060E+00 0.18676E+00 0.23900E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.25348E+01 0.52697E+00 0.41199E+00 0.42012E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.28516E+01 0.73259E+00 0.73131E+00 0.12943E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.31685E+01 0.15158E+01 0.12737E+01 0.30199E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.34853E+01 0.50709E+01 0.39907E+01 0.43812E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.38021E+01 0.48784E+01 0.55741E+01 0.61924E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.41190E+01 0.70255E+01 0.78089E+01 0.79417E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.44358E+01 0.10505E+02 0.83183E+01 0.12385E+02 0.00000E+00 0.00000E+00 0.00000E+00
0.47527E+01 0.11186E+02 0.85490E+01 0.99189E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.50695E+01 0.10865E+02 0.95496E+01 0.92945E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.53864E+01 0.90846E+01 0.77826E+01 0.79201E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.57032E+01 0.75701E+01 0.89879E+01 0.73729E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.60201E+01 0.60520E+01 0.68047E+01 0.70195E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.63369E+01 0.54204E+01 0.59767E+01 0.66616E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.66537E+01 0.64548E+01 0.80237E+01 0.57925E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.69706E+01 0.96631E+01 0.73012E+01 0.54608E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.72874E+01 0.77140E+01 0.72095E+01 0.54081E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.76043E+01 0.56643E+01 0.64067E+01 0.50235E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.79211E+01 0.52283E+01 0.59026E+01 0.41679E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.82380E+01 0.39519E+01 0.38049E+01 0.47176E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.85548E+01 0.38975E+01 0.42298E+01 0.35760E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.88717E+01 0.34337E+01 0.39605E+01 0.30197E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.91885E+01 0.27858E+01 0.33715E+01 0.30086E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.95054E+01 0.24023E+01 0.26330E+01 0.27331E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.98222E+01 0.21850E+01 0.22168E+01 0.21391E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.10139E+02 0.15766E+01 0.15738E+01 0.26042E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.10456E+02 0.14703E+01 0.15304E+01 0.22130E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.10773E+02 0.16891E+01 0.20184E+01 0.16707E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.11090E+02 0.17265E+01 0.18507E+01 0.22448E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.11406E+02 0.12701E+01 0.13975E+01 0.16354E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.11723E+02 0.15062E+01 0.15369E+01 0.15941E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.12040E+02 0.19149E+01 0.14639E+01 0.19648E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.12357E+02 0.16932E+01 0.13652E+01 0.18953E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.12674E+02 0.22086E+01 0.18519E+01 0.22637E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.12991E+02 0.20491E+01 0.17150E+01 0.27467E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.13307E+02 0.20258E+01 0.17413E+01 0.27367E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.13624E+02 0.20058E+01 0.18754E+01 0.22440E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.13941E+02 0.18554E+01 0.19886E+01 0.19550E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.14258E+02 0.18844E+01 0.19386E+01 0.17688E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.14575E+02 0.20168E+01 0.20496E+01 0.18464E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.14892E+02 0.19893E+01 0.20311E+01 0.18570E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.15209E+02 0.20418E+01 0.20547E+01 0.16927E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.15525E+02 0.18357E+01 0.18719E+01 0.17437E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.15842E+02 0.19228E+01 0.19880E+01 0.15328E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.16159E+02 0.18139E+01 0.18158E+01 0.13583E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.16476E+02 0.18065E+01 0.17031E+01 0.14338E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.16793E+02 0.13708E+01 0.14925E+01 0.13654E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.17110E+02 0.14738E+01 0.14168E+01 0.12621E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.17426E+02 0.13093E+01 0.13446E+01 0.12437E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.17743E+02 0.10884E+01 0.11525E+01 0.11605E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.18060E+02 0.10640E+01 0.10425E+01 0.11562E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.18377E+02 0.10224E+01 0.98793E+00 0.10680E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.18694E+02 0.98935E+00 0.95734E+00 0.10160E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.19011E+02 0.93036E+00 0.91291E+00 0.96734E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.19328E+02 0.93145E+00 0.89152E+00 0.91462E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.19644E+02 0.98872E+00 0.92084E+00 0.84341E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.19961E+02 0.86203E+00 0.89349E+00 0.83486E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.20278E+02 0.76040E+00 0.82208E+00 0.78501E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.20595E+02 0.74256E+00 0.75298E+00 0.83779E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.20912E+02 0.69635E+00 0.77264E+00 0.92083E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.21229E+02 0.64828E+00 0.70173E+00 0.68259E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.21545E+02 0.59118E+00 0.60231E+00 0.66815E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.21862E+02 0.52190E+00 0.58574E+00 0.65644E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.22179E+02 0.51854E+00 0.57216E+00 0.60715E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.22496E+02 0.53585E+00 0.57330E+00 0.58782E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.22813E+02 0.52468E+00 0.51045E+00 0.54369E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.23130E+02 0.48856E+00 0.47488E+00 0.48882E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.23447E+02 0.48990E+00 0.51466E+00 0.52763E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.23763E+02 0.49456E+00 0.47432E+00 0.50281E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.24080E+02 0.48703E+00 0.43970E+00 0.48595E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.24397E+02 0.51628E+00 0.52233E+00 0.52048E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.24714E+02 0.54047E+00 0.53097E+00 0.64192E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.25031E+02 0.56651E+00 0.53535E+00 0.60818E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.25348E+02 0.54467E+00 0.59065E+00 0.66542E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.25664E+02 0.57905E+00 0.58287E+00 0.65120E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.25981E+02 0.66281E+00 0.65940E+00 0.74301E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.26298E+02 0.73886E+00 0.75457E+00 0.78070E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.26615E+02 0.75630E+00 0.74386E+00 0.82692E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.26932E+02 0.67585E+00 0.71375E+00 0.79022E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.27249E+02 0.64574E+00 0.64645E+00 0.74196E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.27566E+02 0.65459E+00 0.69195E+00 0.86792E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.27882E+02 0.71000E+00 0.77421E+00 0.80556E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.28199E+02 0.74200E+00 0.79104E+00 0.73991E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.28516E+02 0.66903E+00 0.67283E+00 0.72423E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.28833E+02 0.51572E+00 0.53119E+00 0.58895E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.29150E+02 0.43238E+00 0.41596E+00 0.42569E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.29467E+02 0.38733E+00 0.38004E+00 0.37706E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.29783E+02 0.35643E+00 0.33070E+00 0.35153E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.30100E+02 0.34928E+00 0.32212E+00 0.31226E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.30417E+02 0.37037E+00 0.33179E+00 0.34559E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.30734E+02 0.32448E+00 0.31897E+00 0.29206E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.31051E+02 0.30981E+00 0.31638E+00 0.29988E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.31368E+02 0.32000E+00 0.34351E+00 0.28368E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.31685E+02 0.32141E+00 0.34588E+00 0.26522E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.32001E+02 0.30579E+00 0.32928E+00 0.26753E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.32318E+02 0.31608E+00 0.34841E+00 0.26593E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.32635E+02 0.33216E+00 0.33954E+00 0.28853E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.32952E+02 0.31611E+00 0.31772E+00 0.28077E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.33269E+02 0.31697E+00 0.31790E+00 0.30738E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.33586E+02 0.37251E+00 0.32626E+00 0.31391E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.33902E+02 0.33935E+00 0.32844E+00 0.32245E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.34219E+02 0.34959E+00 0.34791E+00 0.32066E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.34536E+02 0.34809E+00 0.35813E+00 0.30502E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.34853E+02 0.33878E+00 0.34778E+00 0.32624E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.35170E+02 0.31633E+00 0.30546E+00 0.30665E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.35487E+02 0.28870E+00 0.27740E+00 0.26498E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.35804E+02 0.30861E+00 0.27857E+00 0.27392E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.36120E+02 0.33701E+00 0.31230E+00 0.28979E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.36437E+02 0.35907E+00 0.34028E+00 0.31757E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.36754E+02 0.34869E+00 0.35072E+00 0.33131E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.37071E+02 0.35859E+00 0.37934E+00 0.33593E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.37388E+02 0.37878E+00 0.40893E+00 0.38750E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.37705E+02 0.36454E+00 0.37772E+00 0.37975E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.38021E+02 0.37471E+00 0.36655E+00 0.40117E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.38338E+02 0.36842E+00 0.38038E+00 0.42108E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.38655E+02 0.36140E+00 0.39961E+00 0.45377E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.38972E+02 0.33161E+00 0.35221E+00 0.37429E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.39289E+02 0.31412E+00 0.32949E+00 0.34676E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.39606E+02 0.32845E+00 0.34030E+00 0.35984E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.39922E+02 0.38836E+00 0.38396E+00 0.40214E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.40239E+02 0.34286E+00 0.33925E+00 0.37325E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.40556E+02 0.35904E+00 0.36219E+00 0.37736E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.40873E+02 0.32982E+00 0.34032E+00 0.34448E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.41190E+02 0.33007E+00 0.32377E+00 0.33031E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.41507E+02 0.34172E+00 0.33145E+00 0.31550E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.41824E+02 0.33166E+00 0.32354E+00 0.32325E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.42140E+02 0.34224E+00 0.31535E+00 0.31866E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.42457E+02 0.29180E+00 0.30142E+00 0.29039E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.42774E+02 0.28512E+00 0.27603E+00 0.28303E+00 0.00000E+00 0.00000E+00 0.00000E+00
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0.43408E+02 0.31180E+00 0.33740E+00 0.32461E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.43725E+02 0.33437E+00 0.31587E+00 0.32818E+00 0.00000E+00 0.00000E+00 0.00000E+00
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0.44358E+02 0.31411E+00 0.31373E+00 0.30266E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.44675E+02 0.31805E+00 0.31722E+00 0.30465E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.44992E+02 0.30394E+00 0.30913E+00 0.30277E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.45309E+02 0.34420E+00 0.35759E+00 0.33204E+00 0.00000E+00 0.00000E+00 0.00000E+00
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0.48477E+02 0.27242E+00 0.27113E+00 0.26709E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.48794E+02 0.21898E+00 0.22830E+00 0.21729E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.49111E+02 0.19699E+00 0.20369E+00 0.21043E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.49428E+02 0.20695E+00 0.20732E+00 0.22960E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.49745E+02 0.18532E+00 0.19648E+00 0.23212E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.50062E+02 0.21862E+00 0.21606E+00 0.22569E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.50378E+02 0.20328E+00 0.20198E+00 0.21481E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.50695E+02 0.18743E+00 0.19959E+00 0.19871E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.51012E+02 0.18913E+00 0.17824E+00 0.16912E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.51329E+02 0.17954E+00 0.17875E+00 0.17821E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.51646E+02 0.18929E+00 0.18096E+00 0.18653E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.51963E+02 0.16657E+00 0.17509E+00 0.17605E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.52279E+02 0.18112E+00 0.18114E+00 0.16578E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.52596E+02 0.16904E+00 0.18327E+00 0.16582E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.52913E+02 0.16472E+00 0.16454E+00 0.15982E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.53230E+02 0.15812E+00 0.15798E+00 0.15302E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.53547E+02 0.14917E+00 0.15268E+00 0.15742E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.53864E+02 0.14412E+00 0.14327E+00 0.14956E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.54181E+02 0.15774E+00 0.14058E+00 0.15784E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.54497E+02 0.13698E+00 0.12694E+00 0.16356E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.54814E+02 0.12774E+00 0.12327E+00 0.13460E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.55131E+02 0.13126E+00 0.12499E+00 0.14767E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.55448E+02 0.12173E+00 0.11986E+00 0.15275E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.55765E+02 0.12281E+00 0.10971E+00 0.12555E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.56082E+02 0.11428E+00 0.11000E+00 0.11977E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.56398E+02 0.10916E+00 0.10543E+00 0.11241E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.56715E+02 0.91883E-01 0.89889E-01 0.95759E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.57032E+02 0.80973E-01 0.79219E-01 0.85493E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.57349E+02 0.83683E-01 0.81409E-01 0.85227E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.57666E+02 0.84695E-01 0.86415E-01 0.87019E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.57983E+02 0.67181E-01 0.69667E-01 0.71380E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.58300E+02 0.63777E-01 0.69074E-01 0.68859E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.58616E+02 0.60716E-01 0.63066E-01 0.63484E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.58933E+02 0.61104E-01 0.61851E-01 0.62563E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.59250E+02 0.58091E-01 0.59309E-01 0.59318E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.59567E+02 0.56670E-01 0.58002E-01 0.60372E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.59884E+02 0.53120E-01 0.51096E-01 0.55301E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.60201E+02 0.51950E-01 0.49263E-01 0.52820E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.60517E+02 0.53013E-01 0.48932E-01 0.50426E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.60834E+02 0.49850E-01 0.48533E-01 0.49274E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.61151E+02 0.49647E-01 0.46718E-01 0.47356E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.61468E+02 0.47278E-01 0.44242E-01 0.45607E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.61785E+02 0.42961E-01 0.40355E-01 0.40343E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.62102E+02 0.45014E-01 0.44611E-01 0.45126E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.62418E+02 0.38198E-01 0.37109E-01 0.36808E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.62735E+02 0.36338E-01 0.35177E-01 0.34546E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.63052E+02 0.37231E-01 0.36788E-01 0.35264E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.63369E+02 0.36920E-01 0.37035E-01 0.36447E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.63686E+02 0.33705E-01 0.33419E-01 0.32069E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.64003E+02 0.29916E-01 0.29035E-01 0.28663E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.64320E+02 0.30836E-01 0.30167E-01 0.29895E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.64636E+02 0.30736E-01 0.30119E-01 0.29830E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.64953E+02 0.27969E-01 0.26407E-01 0.27120E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.65270E+02 0.26114E-01 0.27332E-01 0.24896E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.65587E+02 0.24768E-01 0.25704E-01 0.23776E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.65904E+02 0.23734E-01 0.23709E-01 0.23392E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.66221E+02 0.23912E-01 0.25505E-01 0.23355E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.66537E+02 0.17130E-01 0.17001E-01 0.16634E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.66854E+02 0.18832E-01 0.18851E-01 0.18027E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.67171E+02 0.18625E-01 0.19951E-01 0.19033E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.67488E+02 0.17281E-01 0.18337E-01 0.16629E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.67805E+02 0.17575E-01 0.18539E-01 0.17500E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.68122E+02 0.16600E-01 0.16951E-01 0.16000E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.68439E+02 0.16796E-01 0.16964E-01 0.16806E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.68755E+02 0.14673E-01 0.14394E-01 0.14428E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.69072E+02 0.12830E-01 0.12862E-01 0.13314E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.69389E+02 0.12230E-01 0.13534E-01 0.12403E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.69706E+02 0.10962E-01 0.11572E-01 0.10912E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.70023E+02 0.11083E-01 0.11603E-01 0.10966E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.70340E+02 0.12202E-01 0.12770E-01 0.11838E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.70656E+02 0.10830E-01 0.11222E-01 0.10402E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.70973E+02 0.90110E-02 0.90114E-02 0.88900E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.71290E+02 0.85633E-02 0.89076E-02 0.87571E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.71607E+02 0.91081E-02 0.91243E-02 0.94680E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.71924E+02 0.93731E-02 0.96078E-02 0.93674E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.72241E+02 0.80295E-02 0.85508E-02 0.81700E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.72558E+02 0.68869E-02 0.72206E-02 0.68165E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.72874E+02 0.90242E-02 0.90324E-02 0.86430E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.73191E+02 0.68827E-02 0.68501E-02 0.64770E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.73508E+02 0.56275E-02 0.61918E-02 0.58278E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.73825E+02 0.55311E-02 0.58822E-02 0.57070E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.74142E+02 0.58664E-02 0.59877E-02 0.59895E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.74459E+02 0.43776E-02 0.46674E-02 0.43230E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.74775E+02 0.40800E-02 0.40985E-02 0.40092E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.75092E+02 0.33949E-02 0.34831E-02 0.34185E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.75409E+02 0.49523E-02 0.46790E-02 0.50535E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.75726E+02 0.40601E-02 0.40193E-02 0.39885E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.76043E+02 0.45240E-02 0.46141E-02 0.45733E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.76360E+02 0.33804E-02 0.31641E-02 0.31952E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.76677E+02 0.29523E-02 0.24617E-02 0.27656E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.76993E+02 0.51795E-02 0.45451E-02 0.45905E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.77310E+02 0.25778E-02 0.25833E-02 0.25627E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.77627E+02 0.23156E-02 0.22013E-02 0.21909E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.77944E+02 0.21851E-02 0.20973E-02 0.19485E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.78261E+02 0.28236E-02 0.24174E-02 0.25512E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.78578E+02 0.11265E-02 0.11456E-02 0.10719E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.78894E+02 0.10247E-02 0.92933E-03 0.91056E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.79211E+02 0.64237E-03 0.58796E-03 0.57997E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.79528E+02 0.50200E-03 0.49115E-03 0.49213E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.79845E+02 0.46456E-03 0.45878E-03 0.46060E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.80162E+02 0.44197E-03 0.43796E-03 0.44004E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.80479E+02 0.42506E-03 0.42195E-03 0.42415E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.80796E+02 0.41119E-03 0.40863E-03 0.41087E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.81112E+02 0.39923E-03 0.39703E-03 0.39930E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.81429E+02 0.38859E-03 0.38665E-03 0.38893E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.81746E+02 0.37893E-03 0.37719E-03 0.37947E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.82063E+02 0.37004E-03 0.36844E-03 0.37071E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.82380E+02 0.36176E-03 0.36029E-03 0.36254E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.82697E+02 0.35400E-03 0.35262E-03 0.35486E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.83013E+02 0.34667E-03 0.34536E-03 0.34759E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.83330E+02 0.33972E-03 0.33847E-03 0.34068E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.83647E+02 0.33309E-03 0.33190E-03 0.33409E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.83964E+02 0.32676E-03 0.32562E-03 0.32778E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.84281E+02 0.32069E-03 0.31959E-03 0.32173E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.84598E+02 0.31486E-03 0.31380E-03 0.31591E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.84914E+02 0.30925E-03 0.30822E-03 0.31031E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.85231E+02 0.30384E-03 0.30284E-03 0.30491E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.85548E+02 0.29862E-03 0.29764E-03 0.29968E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.85865E+02 0.29356E-03 0.29261E-03 0.29463E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.86182E+02 0.28867E-03 0.28774E-03 0.28974E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.86499E+02 0.28393E-03 0.28302E-03 0.28499E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.86816E+02 0.27933E-03 0.27844E-03 0.28039E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.87132E+02 0.27487E-03 0.27400E-03 0.27592E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.87449E+02 0.27053E-03 0.26968E-03 0.27157E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.87766E+02 0.26631E-03 0.26547E-03 0.26734E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.88083E+02 0.26221E-03 0.26138E-03 0.26323E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.88400E+02 0.25821E-03 0.25740E-03 0.25922E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.88717E+02 0.25432E-03 0.25352E-03 0.25532E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.89033E+02 0.25052E-03 0.24974E-03 0.25151E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.89350E+02 0.24682E-03 0.24605E-03 0.24780E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.89667E+02 0.24321E-03 0.24245E-03 0.24418E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.89984E+02 0.23969E-03 0.23894E-03 0.24065E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.90301E+02 0.23625E-03 0.23551E-03 0.23720E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.90618E+02 0.23289E-03 0.23216E-03 0.23382E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.90935E+02 0.22960E-03 0.22888E-03 0.23053E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.91251E+02 0.22639E-03 0.22568E-03 0.22731E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.91568E+02 0.22325E-03 0.22256E-03 0.22416E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.91885E+02 0.22019E-03 0.21950E-03 0.22108E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.92202E+02 0.21718E-03 0.21650E-03 0.21806E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.92519E+02 0.21424E-03 0.21357E-03 0.21512E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.92836E+02 0.21137E-03 0.21070E-03 0.21223E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.93152E+02 0.20855E-03 0.20789E-03 0.20940E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.93469E+02 0.20579E-03 0.20514E-03 0.20663E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.93786E+02 0.20309E-03 0.20245E-03 0.20392E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.94103E+02 0.20044E-03 0.19981E-03 0.20126E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.94420E+02 0.19785E-03 0.19722E-03 0.19865E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.94737E+02 0.19530E-03 0.19469E-03 0.19610E-03 0.00000E+00 0.00000E+00 0.00000E+00
frequency dependent REAL DIELECTRIC FUNCTION (independent particle, no local field effects) density-density
E(ev) X Y Z XY YZ ZX
--------------------------------------------------------------------------------------------------------------
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0.53547E+02 0.66741E+00 0.65404E+00 0.67580E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.53864E+02 0.68269E+00 0.66539E+00 0.68880E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.54181E+02 0.68021E+00 0.67114E+00 0.70074E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.54497E+02 0.66559E+00 0.66860E+00 0.66839E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.54814E+02 0.68268E+00 0.68594E+00 0.67330E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.55131E+02 0.69012E+00 0.68445E+00 0.70568E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.55448E+02 0.67162E+00 0.67094E+00 0.66392E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.55765E+02 0.68863E+00 0.68756E+00 0.66700E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.56082E+02 0.68545E+00 0.69211E+00 0.68029E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.56398E+02 0.68231E+00 0.68600E+00 0.67540E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.56715E+02 0.67938E+00 0.68350E+00 0.67154E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.57032E+02 0.69081E+00 0.69490E+00 0.68588E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.57349E+02 0.70030E+00 0.70443E+00 0.69607E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.57666E+02 0.70178E+00 0.70710E+00 0.69800E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.57983E+02 0.70155E+00 0.70531E+00 0.69729E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.58300E+02 0.70568E+00 0.70700E+00 0.70151E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.58616E+02 0.72201E+00 0.72145E+00 0.71409E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.58933E+02 0.71992E+00 0.71956E+00 0.71406E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.59250E+02 0.72955E+00 0.72745E+00 0.72369E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.59567E+02 0.72813E+00 0.72576E+00 0.72437E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.59884E+02 0.74112E+00 0.73699E+00 0.73396E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.60201E+02 0.73839E+00 0.73698E+00 0.73134E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.60517E+02 0.73934E+00 0.74117E+00 0.73482E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.60834E+02 0.75299E+00 0.75335E+00 0.74758E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.61151E+02 0.74986E+00 0.75018E+00 0.74487E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.61468E+02 0.75014E+00 0.75298E+00 0.74807E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.61785E+02 0.75677E+00 0.75827E+00 0.75283E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.62102E+02 0.75901E+00 0.76195E+00 0.75708E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.62418E+02 0.76046E+00 0.76264E+00 0.75703E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.62735E+02 0.76374E+00 0.76514E+00 0.76024E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.63052E+02 0.76978E+00 0.77291E+00 0.76782E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.63369E+02 0.77114E+00 0.77302E+00 0.77040E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.63686E+02 0.77183E+00 0.77333E+00 0.76943E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.64003E+02 0.77888E+00 0.77980E+00 0.77686E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.64320E+02 0.77888E+00 0.78092E+00 0.77797E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.64636E+02 0.78082E+00 0.78312E+00 0.78118E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.64953E+02 0.78322E+00 0.78564E+00 0.78073E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.65270E+02 0.78646E+00 0.79068E+00 0.78650E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.65587E+02 0.78835E+00 0.78861E+00 0.78743E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.65904E+02 0.79238E+00 0.79455E+00 0.79192E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.66221E+02 0.79488E+00 0.79617E+00 0.79390E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.66537E+02 0.79501E+00 0.79565E+00 0.79413E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.66854E+02 0.80230E+00 0.80473E+00 0.80160E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.67171E+02 0.80348E+00 0.80518E+00 0.80323E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.67488E+02 0.80789E+00 0.80826E+00 0.80685E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.67805E+02 0.80695E+00 0.80771E+00 0.80677E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.68122E+02 0.81167E+00 0.81112E+00 0.81009E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.68439E+02 0.81412E+00 0.81462E+00 0.81404E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.68755E+02 0.81318E+00 0.81445E+00 0.81303E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.69072E+02 0.81667E+00 0.81827E+00 0.81656E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.69389E+02 0.81889E+00 0.81993E+00 0.81798E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.69706E+02 0.82432E+00 0.82455E+00 0.82331E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.70023E+02 0.82709E+00 0.82809E+00 0.82599E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.70340E+02 0.82749E+00 0.82772E+00 0.82646E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.70656E+02 0.82921E+00 0.82924E+00 0.82844E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.70973E+02 0.83002E+00 0.83044E+00 0.82976E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.71290E+02 0.83507E+00 0.83533E+00 0.83475E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.71607E+02 0.83676E+00 0.83708E+00 0.83596E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.71924E+02 0.83787E+00 0.83867E+00 0.83683E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.72241E+02 0.83852E+00 0.83892E+00 0.83770E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.72558E+02 0.84279E+00 0.84302E+00 0.84196E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.72874E+02 0.84320E+00 0.84302E+00 0.84211E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.73191E+02 0.84445E+00 0.84524E+00 0.84402E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.73508E+02 0.84626E+00 0.84674E+00 0.84590E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.73825E+02 0.84817E+00 0.84821E+00 0.84741E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.74142E+02 0.85032E+00 0.85061E+00 0.84942E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.74459E+02 0.85149E+00 0.85162E+00 0.85095E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.74775E+02 0.85386E+00 0.85388E+00 0.85316E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.75092E+02 0.85685E+00 0.85693E+00 0.85606E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.75409E+02 0.85753E+00 0.85762E+00 0.85709E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.75726E+02 0.85974E+00 0.85995E+00 0.85896E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.76043E+02 0.85992E+00 0.85993E+00 0.85914E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.76360E+02 0.86209E+00 0.86199E+00 0.86131E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.76677E+02 0.86434E+00 0.86451E+00 0.86363E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.76993E+02 0.86485E+00 0.86534E+00 0.86434E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.77310E+02 0.86549E+00 0.86614E+00 0.86507E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.77627E+02 0.86789E+00 0.86834E+00 0.86734E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.77944E+02 0.86898E+00 0.86945E+00 0.86853E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.78261E+02 0.87051E+00 0.87100E+00 0.87011E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.78578E+02 0.87124E+00 0.87175E+00 0.87089E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.78894E+02 0.87339E+00 0.87382E+00 0.87298E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.79211E+02 0.87483E+00 0.87535E+00 0.87449E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.79528E+02 0.87651E+00 0.87698E+00 0.87613E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.79845E+02 0.87803E+00 0.87848E+00 0.87763E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.80162E+02 0.87946E+00 0.87990E+00 0.87906E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.80479E+02 0.88084E+00 0.88126E+00 0.88043E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.80796E+02 0.88216E+00 0.88258E+00 0.88175E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.81112E+02 0.88344E+00 0.88385E+00 0.88303E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.81429E+02 0.88469E+00 0.88509E+00 0.88428E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.81746E+02 0.88591E+00 0.88630E+00 0.88550E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.82063E+02 0.88709E+00 0.88748E+00 0.88668E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.82380E+02 0.88825E+00 0.88864E+00 0.88785E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.82697E+02 0.88939E+00 0.88977E+00 0.88898E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.83013E+02 0.89050E+00 0.89087E+00 0.89010E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.83330E+02 0.89158E+00 0.89196E+00 0.89119E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.83647E+02 0.89265E+00 0.89302E+00 0.89225E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.83964E+02 0.89369E+00 0.89406E+00 0.89330E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.84281E+02 0.89472E+00 0.89508E+00 0.89433E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.84598E+02 0.89573E+00 0.89609E+00 0.89534E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.84914E+02 0.89671E+00 0.89707E+00 0.89633E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.85231E+02 0.89769E+00 0.89804E+00 0.89731E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.85548E+02 0.89864E+00 0.89899E+00 0.89827E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.85865E+02 0.89958E+00 0.89993E+00 0.89921E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.86182E+02 0.90050E+00 0.90084E+00 0.90013E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.86499E+02 0.90141E+00 0.90175E+00 0.90104E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.86816E+02 0.90230E+00 0.90264E+00 0.90194E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.87132E+02 0.90318E+00 0.90351E+00 0.90282E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.87449E+02 0.90404E+00 0.90437E+00 0.90369E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.87766E+02 0.90489E+00 0.90522E+00 0.90454E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.88083E+02 0.90573E+00 0.90606E+00 0.90538E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.88400E+02 0.90655E+00 0.90688E+00 0.90621E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.88717E+02 0.90737E+00 0.90769E+00 0.90702E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.89033E+02 0.90817E+00 0.90849E+00 0.90783E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.89350E+02 0.90895E+00 0.90927E+00 0.90862E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.89667E+02 0.90973E+00 0.91004E+00 0.90940E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.89984E+02 0.91050E+00 0.91081E+00 0.91017E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.90301E+02 0.91125E+00 0.91156E+00 0.91092E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.90618E+02 0.91199E+00 0.91230E+00 0.91167E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.90935E+02 0.91272E+00 0.91303E+00 0.91240E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.91251E+02 0.91345E+00 0.91375E+00 0.91313E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.91568E+02 0.91416E+00 0.91446E+00 0.91385E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.91885E+02 0.91486E+00 0.91516E+00 0.91455E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.92202E+02 0.91555E+00 0.91585E+00 0.91525E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.92519E+02 0.91624E+00 0.91653E+00 0.91593E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.92836E+02 0.91691E+00 0.91720E+00 0.91661E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.93152E+02 0.91758E+00 0.91787E+00 0.91728E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.93469E+02 0.91823E+00 0.91852E+00 0.91794E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.93786E+02 0.91888E+00 0.91917E+00 0.91859E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.94103E+02 0.91952E+00 0.91980E+00 0.91923E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.94420E+02 0.92015E+00 0.92043E+00 0.91986E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.94737E+02 0.92078E+00 0.92105E+00 0.92049E+00 0.00000E+00 0.00000E+00 0.00000E+00
frequency dependent IMAGINARY DIELECTRIC FUNCTION (independent particle, no local field effects) current-current (2nd set in vasprun.xml)
E(ev) X Y Z XY YZ ZX
--------------------------------------------------------------------------------------------------------------
0.00000E+00 0.37290E+02 0.35784E+02 0.37669E+02 0.00000E+00 0.00000E+00 0.00000E+00
0.31685E+00 0.37547E+01 0.36023E+01 0.37947E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.63369E+00 0.19177E+01 0.18386E+01 0.19410E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.95054E+00 0.13264E+01 0.12702E+01 0.13460E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.12674E+01 0.10511E+01 0.10049E+01 0.10708E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.15842E+01 0.90941E+00 0.86872E+00 0.93158E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.19011E+01 0.84955E+00 0.83844E+00 0.87645E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.22179E+01 0.90489E+00 0.81091E+00 0.91599E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.25348E+01 0.11375E+01 0.10085E+01 0.10809E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.28516E+01 0.13436E+01 0.13116E+01 0.19730E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.31685E+01 0.21518E+01 0.18698E+01 0.36322E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.34853E+01 0.57191E+01 0.45869E+01 0.49656E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.38021E+01 0.53589E+01 0.60863E+01 0.67068E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.41190E+01 0.74993E+01 0.82286E+01 0.84069E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.44358E+01 0.10899E+02 0.86255E+01 0.12633E+02 0.00000E+00 0.00000E+00 0.00000E+00
0.47527E+01 0.11429E+02 0.87972E+01 0.10089E+02 0.00000E+00 0.00000E+00 0.00000E+00
0.50695E+01 0.10977E+02 0.96975E+01 0.93501E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.53864E+01 0.90911E+01 0.78952E+01 0.79521E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.57032E+01 0.75595E+01 0.90323E+01 0.74078E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.60201E+01 0.60658E+01 0.68375E+01 0.70566E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.63369E+01 0.54567E+01 0.60233E+01 0.66302E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.66537E+01 0.65498E+01 0.80703E+01 0.57728E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.69706E+01 0.96865E+01 0.73228E+01 0.54495E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.72874E+01 0.76234E+01 0.71888E+01 0.53910E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.76043E+01 0.56074E+01 0.63438E+01 0.50004E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.79211E+01 0.51594E+01 0.58464E+01 0.41350E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.82380E+01 0.38923E+01 0.37416E+01 0.46834E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.85548E+01 0.38467E+01 0.41952E+01 0.35325E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.88717E+01 0.33881E+01 0.39232E+01 0.29834E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.91885E+01 0.27339E+01 0.33152E+01 0.29772E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.95054E+01 0.23621E+01 0.25814E+01 0.27078E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.98222E+01 0.21492E+01 0.21754E+01 0.21166E+01 0.00000E+00 0.00000E+00 0.00000E+00
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0.64003E+02 0.29226E-01 0.28347E-01 0.27966E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.64320E+02 0.30148E-01 0.29485E-01 0.29204E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.64636E+02 0.30057E-01 0.29447E-01 0.29153E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.64953E+02 0.27300E-01 0.25746E-01 0.26443E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.65270E+02 0.25459E-01 0.26691E-01 0.24242E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.65587E+02 0.24123E-01 0.25058E-01 0.23127E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.65904E+02 0.23104E-01 0.23086E-01 0.22761E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.66221E+02 0.23293E-01 0.24890E-01 0.22733E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.66537E+02 0.16513E-01 0.16386E-01 0.16014E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.66854E+02 0.18240E-01 0.18268E-01 0.17434E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.67171E+02 0.18039E-01 0.19371E-01 0.18447E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.67488E+02 0.16712E-01 0.17769E-01 0.16057E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.67805E+02 0.17004E-01 0.17970E-01 0.16929E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.68122E+02 0.16047E-01 0.16396E-01 0.15442E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.68439E+02 0.16253E-01 0.16423E-01 0.16263E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.68755E+02 0.14129E-01 0.13853E-01 0.13884E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.69072E+02 0.12299E-01 0.12335E-01 0.12783E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.69389E+02 0.11707E-01 0.13015E-01 0.11877E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.69706E+02 0.10458E-01 0.11069E-01 0.10406E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.70023E+02 0.10589E-01 0.11112E-01 0.10469E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.70340E+02 0.11712E-01 0.12280E-01 0.11344E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.70656E+02 0.10347E-01 0.10739E-01 0.99168E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.70973E+02 0.85315E-02 0.85331E-02 0.84098E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.71290E+02 0.81010E-02 0.84460E-02 0.82939E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.71607E+02 0.86523E-02 0.86693E-02 0.90099E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.71924E+02 0.89223E-02 0.91592E-02 0.89136E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.72241E+02 0.75821E-02 0.81045E-02 0.77204E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.72558E+02 0.64539E-02 0.67882E-02 0.63812E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.72874E+02 0.85938E-02 0.86013E-02 0.82095E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.73191E+02 0.64577E-02 0.64274E-02 0.60508E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.73508E+02 0.52091E-02 0.57747E-02 0.54084E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.73825E+02 0.51196E-02 0.54708E-02 0.52934E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.74142E+02 0.54626E-02 0.55848E-02 0.55833E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.74459E+02 0.39785E-02 0.42686E-02 0.39226E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.74775E+02 0.36890E-02 0.37077E-02 0.36164E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.75092E+02 0.30138E-02 0.31022E-02 0.30353E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.75409E+02 0.45743E-02 0.43012E-02 0.46744E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.75726E+02 0.36899E-02 0.36495E-02 0.36162E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.76043E+02 0.41553E-02 0.42453E-02 0.42025E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.76360E+02 0.30192E-02 0.28027E-02 0.28319E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.76677E+02 0.25986E-02 0.21084E-02 0.24100E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.76993E+02 0.48284E-02 0.41952E-02 0.42381E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.77310E+02 0.22298E-02 0.22370E-02 0.22136E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.77627E+02 0.19754E-02 0.18622E-02 0.18492E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.77944E+02 0.18488E-02 0.17622E-02 0.16111E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.78261E+02 0.24928E-02 0.20878E-02 0.22193E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.78578E+02 0.79864E-03 0.81905E-03 0.74320E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.78894E+02 0.70372E-03 0.60945E-03 0.58857E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.79211E+02 0.32631E-03 0.27322E-03 0.26306E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.79528E+02 0.19144E-03 0.18178E-03 0.18061E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.79845E+02 0.15905E-03 0.15439E-03 0.15409E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.80162E+02 0.14124E-03 0.13831E-03 0.13829E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.80479E+02 0.12892E-03 0.12687E-03 0.12699E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.80796E+02 0.11949E-03 0.11796E-03 0.11815E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.81112E+02 0.11183E-03 0.11064E-03 0.11089E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.81429E+02 0.10537E-03 0.10443E-03 0.10471E-03 0.00000E+00 0.00000E+00 0.00000E+00
0.81746E+02 0.99790E-04 0.99017E-04 0.99320E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.82063E+02 0.94867E-04 0.94225E-04 0.94545E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.82380E+02 0.90464E-04 0.89923E-04 0.90256E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.82697E+02 0.86481E-04 0.86020E-04 0.86362E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.83013E+02 0.82846E-04 0.82449E-04 0.82797E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.83330E+02 0.79504E-04 0.79159E-04 0.79511E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.83647E+02 0.76413E-04 0.76111E-04 0.76465E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.83964E+02 0.73540E-04 0.73273E-04 0.73628E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.84281E+02 0.70858E-04 0.70620E-04 0.70975E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.84598E+02 0.68345E-04 0.68132E-04 0.68486E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.84914E+02 0.65982E-04 0.65791E-04 0.66144E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.85231E+02 0.63755E-04 0.63582E-04 0.63933E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.85548E+02 0.61651E-04 0.61494E-04 0.61841E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.85865E+02 0.59658E-04 0.59515E-04 0.59859E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.86182E+02 0.57767E-04 0.57636E-04 0.57977E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.86499E+02 0.55970E-04 0.55850E-04 0.56186E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.86816E+02 0.54259E-04 0.54148E-04 0.54480E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.87132E+02 0.52628E-04 0.52525E-04 0.52853E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.87449E+02 0.51070E-04 0.50975E-04 0.51299E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.87766E+02 0.49582E-04 0.49493E-04 0.49812E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.88083E+02 0.48157E-04 0.48075E-04 0.48389E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.88400E+02 0.46793E-04 0.46716E-04 0.47026E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.88717E+02 0.45485E-04 0.45413E-04 0.45718E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.89033E+02 0.44230E-04 0.44162E-04 0.44462E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.89350E+02 0.43024E-04 0.42961E-04 0.43256E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.89667E+02 0.41866E-04 0.41806E-04 0.42096E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.89984E+02 0.40752E-04 0.40695E-04 0.40980E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.90301E+02 0.39679E-04 0.39626E-04 0.39906E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.90618E+02 0.38646E-04 0.38596E-04 0.38871E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.90935E+02 0.37651E-04 0.37603E-04 0.37874E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.91251E+02 0.36691E-04 0.36646E-04 0.36912E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.91568E+02 0.35765E-04 0.35722E-04 0.35983E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.91885E+02 0.34871E-04 0.34831E-04 0.35087E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.92202E+02 0.34008E-04 0.33969E-04 0.34221E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.92519E+02 0.33174E-04 0.33137E-04 0.33384E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.92836E+02 0.32367E-04 0.32333E-04 0.32575E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.93152E+02 0.31588E-04 0.31555E-04 0.31793E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.93469E+02 0.30833E-04 0.30802E-04 0.31036E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.93786E+02 0.30103E-04 0.30073E-04 0.30303E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.94103E+02 0.29397E-04 0.29368E-04 0.29593E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.94420E+02 0.28712E-04 0.28685E-04 0.28906E-04 0.00000E+00 0.00000E+00 0.00000E+00
0.94737E+02 0.28049E-04 0.28023E-04 0.28240E-04 0.00000E+00 0.00000E+00 0.00000E+00
frequency dependent REAL DIELECTRIC FUNCTION (independent particle, no local field effects) current-current (2nd set in vasprun.xml)
E(ev) X Y Z XY YZ ZX
--------------------------------------------------------------------------------------------------------------
0.00000E+00 0.68992E+01 0.66612E+01 0.69586E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.31685E+00 0.69194E+01 0.66800E+01 0.69805E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.63369E+00 0.69821E+01 0.67381E+01 0.70482E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.95054E+00 0.70913E+01 0.68394E+01 0.71664E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.12674E+01 0.72555E+01 0.69917E+01 0.73448E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.15842E+01 0.74901E+01 0.72099E+01 0.76004E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.19011E+01 0.78252E+01 0.75162E+01 0.79656E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.22179E+01 0.83380E+01 0.79040E+01 0.84845E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.25348E+01 0.87126E+01 0.85175E+01 0.93299E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.28516E+01 0.96482E+01 0.92192E+01 0.10545E+02 0.00000E+00 0.00000E+00 0.00000E+00
0.31685E+01 0.10949E+02 0.10347E+02 0.10558E+02 0.00000E+00 0.00000E+00 0.00000E+00
0.34853E+01 0.11841E+02 0.11110E+02 0.10939E+02 0.00000E+00 0.00000E+00 0.00000E+00
0.38021E+01 0.99551E+01 0.10407E+02 0.10462E+02 0.00000E+00 0.00000E+00 0.00000E+00
0.41190E+01 0.10440E+02 0.92290E+01 0.10154E+02 0.00000E+00 0.00000E+00 0.00000E+00
0.44358E+01 0.92252E+01 0.74935E+01 0.61331E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.47527E+01 0.63555E+01 0.65237E+01 0.45876E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.50695E+01 0.34976E+01 0.44527E+01 0.21907E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.53864E+01 0.10362E+01 0.37947E+01 0.16602E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.57032E+01 0.58329E+00 0.20986E+01 0.17580E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.60201E+01 0.12836E+01 0.18007E+01 0.18334E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.63369E+01 0.20333E+01 0.23361E+01-0.50563E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.66537E+01 0.38481E+01 0.23133E+01 0.23662E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.69706E+01 0.15845E+01 0.15026E+01 0.46994E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.72874E+01-0.22891E+01 0.82901E-01 0.24092E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.76043E+01-0.13067E+01-0.14328E+01-0.41416E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.79211E+01-0.17975E+01-0.13545E+01-0.35754E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.82380E+01-0.15075E+01-0.16349E+01-0.48101E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.85548E+01-0.12353E+01-0.59860E+00-0.89973E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.88717E+01-0.11154E+01-0.77339E+00-0.64404E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.91885E+01-0.13955E+01-0.15778E+01-0.47467E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.95054E+01-0.94743E+00-0.14388E+01-0.26259E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.98222E+01-0.79843E+00-0.10492E+01-0.13154E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.10139E+02-0.65667E+00-0.64075E+00-0.25041E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.10456E+02 0.23222E-01-0.27932E-02 0.31224E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.10773E+02 0.26824E+00 0.29291E+00 0.28373E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.11090E+02 0.14228E-01-0.31988E+00 0.22345E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.11406E+02 0.38027E+00 0.14635E+00 0.31732E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.11723E+02 0.80550E+00 0.44182E+00 0.68850E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.12040E+02 0.68945E+00 0.30587E+00 0.71733E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.12357E+02 0.91443E+00 0.81684E+00 0.10162E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.12674E+02 0.77487E+00 0.93570E+00 0.11549E+01 0.00000E+00 0.00000E+00 0.00000E+00
0.12991E+02 0.65059E+00 0.70441E+00 0.70593E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.13307E+02 0.46003E+00 0.51188E+00 0.35344E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.13624E+02 0.45779E+00 0.75123E+00 0.53812E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.13941E+02 0.54253E+00 0.75931E+00-0.82916E-02 0.00000E+00 0.00000E+00 0.00000E+00
0.14258E+02 0.52270E+00 0.58263E+00 0.17767E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.14575E+02 0.42160E+00 0.66306E+00 0.17255E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.14892E+02 0.44949E+00 0.30395E+00 0.24650E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.15209E+02 0.31076E+00 0.26306E+00 0.14836E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.15525E+02 0.26745E+00 0.40604E+00 0.32167E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.15842E+02 0.10952E+00 0.99974E-01 0.22008E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.16159E+02 0.13933E+00 0.77990E-01 0.22451E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.16476E+02-0.31430E+00-0.69116E-01 0.94888E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.16793E+02-0.16024E+00-0.12898E+00 0.58402E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.17110E+02-0.83890E-01-0.32078E-01 0.81972E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.17426E+02-0.14522E+00-0.14062E+00 0.92660E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.17743E+02-0.99054E-01-0.90468E-01 0.97917E-01 0.00000E+00 0.00000E+00 0.00000E+00
0.18060E+02 0.82499E-01 0.38516E-01 0.11736E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.18377E+02-0.25082E-01-0.42620E-02 0.16920E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.18694E+02 0.14484E+00 0.18816E+00 0.16634E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.19011E+02 0.10012E+00 0.13185E+00 0.15400E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.19328E+02 0.19877E+00 0.22634E+00 0.17919E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.19644E+02 0.11729E+00 0.23011E+00 0.23755E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.19961E+02 0.66608E-01 0.17413E+00 0.20773E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.20278E+02 0.15516E+00 0.14838E+00 0.34209E+00 0.00000E+00 0.00000E+00 0.00000E+00
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0.74142E+02 0.85032E+00 0.85060E+00 0.84942E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.74459E+02 0.85149E+00 0.85161E+00 0.85095E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.74775E+02 0.85386E+00 0.85388E+00 0.85316E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.75092E+02 0.85685E+00 0.85693E+00 0.85606E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.75409E+02 0.85752E+00 0.85762E+00 0.85709E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.75726E+02 0.85974E+00 0.85994E+00 0.85896E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.76043E+02 0.85992E+00 0.85993E+00 0.85914E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.76360E+02 0.86209E+00 0.86199E+00 0.86131E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.76677E+02 0.86434E+00 0.86451E+00 0.86363E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.76993E+02 0.86485E+00 0.86534E+00 0.86434E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.77310E+02 0.86549E+00 0.86614E+00 0.86507E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.77627E+02 0.86790E+00 0.86834E+00 0.86734E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.77944E+02 0.86898E+00 0.86945E+00 0.86854E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.78261E+02 0.87051E+00 0.87100E+00 0.87011E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.78578E+02 0.87125E+00 0.87175E+00 0.87089E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.78894E+02 0.87339E+00 0.87382E+00 0.87298E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.79211E+02 0.87484E+00 0.87536E+00 0.87450E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.79528E+02 0.87652E+00 0.87699E+00 0.87614E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.79845E+02 0.87804E+00 0.87849E+00 0.87764E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.80162E+02 0.87947E+00 0.87991E+00 0.87907E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.80479E+02 0.88084E+00 0.88127E+00 0.88043E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.80796E+02 0.88217E+00 0.88258E+00 0.88176E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.81112E+02 0.88345E+00 0.88386E+00 0.88304E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.81429E+02 0.88470E+00 0.88510E+00 0.88429E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.81746E+02 0.88591E+00 0.88631E+00 0.88550E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.82063E+02 0.88710E+00 0.88749E+00 0.88669E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.82380E+02 0.88826E+00 0.88865E+00 0.88785E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.82697E+02 0.88939E+00 0.88977E+00 0.88899E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.83013E+02 0.89050E+00 0.89088E+00 0.89010E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.83330E+02 0.89159E+00 0.89196E+00 0.89119E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.83647E+02 0.89266E+00 0.89302E+00 0.89226E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.83964E+02 0.89370E+00 0.89407E+00 0.89331E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.84281E+02 0.89473E+00 0.89509E+00 0.89434E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.84598E+02 0.89573E+00 0.89609E+00 0.89535E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.84914E+02 0.89672E+00 0.89708E+00 0.89634E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.85231E+02 0.89769E+00 0.89805E+00 0.89731E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.85548E+02 0.89865E+00 0.89900E+00 0.89827E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.85865E+02 0.89959E+00 0.89993E+00 0.89921E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.86182E+02 0.90051E+00 0.90085E+00 0.90014E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.86499E+02 0.90141E+00 0.90175E+00 0.90105E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.86816E+02 0.90231E+00 0.90264E+00 0.90195E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.87132E+02 0.90318E+00 0.90352E+00 0.90283E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.87449E+02 0.90405E+00 0.90438E+00 0.90369E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.87766E+02 0.90490E+00 0.90523E+00 0.90455E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.88083E+02 0.90574E+00 0.90606E+00 0.90539E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.88400E+02 0.90656E+00 0.90688E+00 0.90622E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.88717E+02 0.90737E+00 0.90769E+00 0.90703E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.89033E+02 0.90817E+00 0.90849E+00 0.90783E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.89350E+02 0.90896E+00 0.90928E+00 0.90862E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.89667E+02 0.90974E+00 0.91005E+00 0.90940E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.89984E+02 0.91050E+00 0.91081E+00 0.91017E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.90301E+02 0.91126E+00 0.91156E+00 0.91093E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.90618E+02 0.91200E+00 0.91231E+00 0.91168E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.90935E+02 0.91273E+00 0.91304E+00 0.91241E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.91251E+02 0.91345E+00 0.91376E+00 0.91314E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.91568E+02 0.91417E+00 0.91447E+00 0.91385E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.91885E+02 0.91487E+00 0.91517E+00 0.91456E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.92202E+02 0.91556E+00 0.91586E+00 0.91525E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.92519E+02 0.91624E+00 0.91654E+00 0.91594E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.92836E+02 0.91692E+00 0.91721E+00 0.91662E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.93152E+02 0.91758E+00 0.91787E+00 0.91728E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.93469E+02 0.91824E+00 0.91853E+00 0.91794E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.93786E+02 0.91889E+00 0.91917E+00 0.91859E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.94103E+02 0.91953E+00 0.91981E+00 0.91923E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.94420E+02 0.92016E+00 0.92044E+00 0.91987E+00 0.00000E+00 0.00000E+00 0.00000E+00
0.94737E+02 0.92078E+00 0.92106E+00 0.92049E+00 0.00000E+00 0.00000E+00 0.00000E+00
The outermost node in the dielectric function lies at epsilon= 18.3
--------------------------------------------------------------------------------------------------------
OPTICS: cpu time 16.1742: real time 16.2737
4ORBIT: cpu time 0.0000: real time 0.0000
total charge
# of ion s p d tot
------------------------------------------
1 1.639 0.850 10.020 12.509
2 1.639 0.849 10.019 12.508
3 1.639 0.849 10.019 12.508
4 1.639 0.850 10.020 12.509
5 1.641 0.848 10.020 12.509
6 1.639 0.849 10.020 12.509
7 1.639 0.849 10.020 12.509
8 1.641 0.848 10.020 12.509
9 0.718 1.031 4.183 5.932
10 0.718 1.030 4.182 5.930
11 0.718 1.030 4.182 5.930
12 0.718 1.031 4.183 5.932
13 1.576 3.433 0.000 5.009
14 1.576 3.435 0.000 5.012
15 1.576 3.435 0.000 5.012
16 1.576 3.433 0.000 5.009
17 1.573 3.458 0.000 5.032
18 1.569 3.485 0.000 5.054
19 1.569 3.485 0.000 5.054
20 1.573 3.458 0.000 5.032
21 1.570 3.478 0.000 5.048
22 1.574 3.454 0.000 5.027
23 1.574 3.454 0.000 5.027
24 1.570 3.478 0.000 5.048
25 1.576 3.432 0.000 5.008
26 1.576 3.434 0.000 5.010
27 1.576 3.434 0.000 5.010
28 1.576 3.432 0.000 5.008
29 1.577 3.420 0.000 4.997
30 1.577 3.419 0.000 4.996
31 1.577 3.419 0.000 4.996
32 1.577 3.420 0.000 4.997
33 1.577 3.420 0.000 4.997
34 1.577 3.420 0.000 4.997
35 1.577 3.420 0.000 4.997
36 1.577 3.420 0.000 4.997
--------------------------------------------------
tot 53.787 93.492 96.888 244.167
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
--------------------------------------------------
tot 0.000 -0.000 0.000 0.000
total amount of memory used by VASP MPI-rank0 90408. kBytes
=======================================================================
base : 30000. kBytes
nonl-proj : 31703. kBytes
fftplans : 2232. kBytes
grid : 8987. kBytes
one-center: 1119. kBytes
wavefun : 16367. kBytes
General timing and accounting informations for this job:
========================================================
Total CPU time used (sec): 377.678
User time (sec): 371.406
System time (sec): 6.272
Elapsed time (sec): 382.644
Maximum memory used (kb): 242700.
Average memory used (kb): 0.
Minor page faults: 64682
Major page faults: 4
Voluntary context switches: 1964