 vasp.6.2.1 16May21 (build Oct 28 2021 10:56:13) gamma-only                     
  
 executed on             LinuxIFC date 2021.12.13  19:29:18
 running on   96 total cores
 distrk:  each k-point on   96 cores,    1 groups
 distr:  one band on NCORE=   1 cores,   96 groups


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


 INCAR:
   ISMEAR = 0
   SIGMA = 0.05
   LASPH = .TRUE.
   EDIFF = 1E-8
   ENCUT = 800
   ISPIN = 1
   ALGO = RPAR
   PREC = Normal
   PRECFOCK = Normal
   LOPTICS = .TRUE.
   NTAUPAR = 1
   NOMEGA = 14
   ENCUTGW = 400

 POTCAR:   ^PAW_PBE F_h_GW 20May2014              
 -----------------------------------------------------------------------------
|                                                                             |
|           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 = 2 up to number-of-cores-per-socket                            |
|     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! More info at https://www.vasp.at/wiki/index.php/NCORE      |
|     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 F_h_GW 20May2014              
   VRHFIN =F: s2p5                                                                                  
   LEXCH  = PE                                                                                      
   EATOM  =   659.2740 eV,   48.4553 Ry                                                             
                                                                                                    
   TITEL  =^PAW_PBE F_h_GW 20May2014                                                                
   LULTRA =        F    use ultrasoft PP ?                                                          
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                                               
   RPACOR =    0.500    partial core radius                                                         
   POMASS =   18.998; ZVAL   =    7.000    mass and valenz                                          
   RCORE  =    1.050    outmost cutoff radius                                                       
   RWIGS  =    1.200; RWIGS  =    0.635    wigner-seitz radius (au A)                               
   ENMAX  =  848.358; ENMIN  =  636.268 eV                                                          
   RCLOC  =    0.805    cutoff for local pot                                                        
   LCOR   =        T    correct aug charges                                                         
   LPAW   =        T    paw PP                                                                      
   EAUG   = 2190.598                                                                                
   DEXC   =   -0.000                                                                                
   RMAX   =    1.076    core radius for proj-oper                                                   
   RAUG   =    1.300    factor for augmentation sphere                                              
   RDEP   =    1.118    radius for radial grids                                                     
   RDEPT  =    0.921    core radius for aug-charge                                                  
                                                                                                    
   Atomic configuration                                                                             
    5 entries                                                                                       
     n  l   j            E        occ.                                                              
     1  0  0.50      -662.6495   2.0000                                                             
     2  0  0.50       -29.8200   2.0000                                                             
     2  1  0.50       -11.1215   5.0000                                                             
     3  2  1.50       -12.2452   0.0000                                                             
     4  3  2.50       -12.2452   0.0000                                                             
   Description                                                                                      
     l       E           TYP  RCUT    TYP  RCUT                                                     
     0    -29.8200001     23  0.800                                                                 
     0    108.8466080     23  0.800                                                                 
     1    -11.1215148     23  1.050                                                                 
     1    190.4815640     23  1.050                                                                 
     1    380.9631280     23  1.050                                                                 
     2     81.6349560     23  1.050                                                                 
     2    204.0873900     23  1.050                                                                 
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  kinetic energy density of atom read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           2  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           7
   number of lm-projection operators is LMMAX =          21
 
 ^PAW_PBE F_h_GW 20May2014              :
 energy of atom  1       EATOM= -659.2740
 kinetic energy error for atom=    0.2347 (will be added to EATOM!!)
 
 
 POSCAR: F2
  positions in cartesian coordinates
  No initial velocities read in
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 


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


 ion  position               nearest neighbor table
   1  0.000  0.000  0.067-   2 1.41
   2  0.000  0.000  0.933-   1 1.41
 
  LATTYP: Found a simple orthorhombic cell.
 ALAT       =     9.5000000000
 B/A-ratio  =     1.0526315789
 C/A-ratio  =     1.1052631579
  
  Lattice vectors:
  
 A1 = (   9.5000000000,   0.0000000000,   0.0000000000)
 A2 = (   0.0000000000,  10.0000000000,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,  10.5000000000)


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  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of  8 trial point group operations.


The static configuration has the point symmetry D_2h.


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  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of  8 trial point group operations.


The dynamic configuration has the point symmetry D_2h.


 Subroutine INISYM returns: Found  8 space group operations
 (whereof  8 operations are pure point group operations),
 and found     1 'primitive' translations


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

                                     Primitive cell                                     

  volume of cell :     997.5000

  direct lattice vectors                    reciprocal lattice vectors
     9.500000000  0.000000000  0.000000000     0.105263158  0.000000000  0.000000000
     0.000000000 10.000000000  0.000000000     0.000000000  0.100000000  0.000000000
     0.000000000  0.000000000 10.500000000     0.000000000  0.000000000  0.095238095

  length of vectors
     9.500000000 10.000000000 10.500000000     0.105263158  0.100000000  0.095238095

  position of ions in fractional coordinates (direct lattice)
     0.000000000  0.000000000  0.067196095
     0.000000000  0.000000000  0.932803905

  ion indices of the primitive-cell ions
   primitive index   ion index
                 1           1
                 2           2

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

 
 
 KPOINTS: kpoint                                  

Automatic generation of k-mesh.
 Grid dimensions read from file:
 generate k-points for:    1    1    1

 Generating k-lattice:

  Cartesian coordinates                     Fractional coordinates (reciprocal lattice)
     0.105263158  0.000000000  0.000000000     1.000000000  0.000000000  0.000000000
     0.000000000  0.100000000  0.000000000     0.000000000  1.000000000  0.000000000
     0.000000000  0.000000000  0.095238095     0.000000000  0.000000000  1.000000000

  Length of vectors
     0.105263158  0.100000000  0.095238095

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

 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found      1 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
 
 
 Subroutine IBZKPT_HF returns following result:
 ==============================================
 
 Found      1 k-points in 1st BZ
 the following      1 k-points will be used (e.g. in the exchange kernel)
 Following reciprocal coordinates:   # in IRBZ
  0.000000  0.000000  0.000000    1.00000000   1 t-inv F


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




 Dimension of arrays:
   k-points           NKPTS =      1   k-points in BZ     NKDIM =      1   number of bands    NBANDS=     96
   number of dos      NEDOS =    301   number of ions     NIONS =      2
   non local maximal  LDIM  =      7   non local SUM 2l+1 LMDIM =     21
   total plane-waves  NPLWV = 392000
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=   1778
   dimension x,y,z NGX =    70 NGY =   70 NGZ =   80
   dimension x,y,z NGXF=   140 NGYF=  140 NGZF=  160
   support grid    NGXF=   140 NGYF=  140 NGZF=  160
   ions per type =               2
   NGX,Y,Z   is equivalent  to a cutoff of  12.25, 11.64, 12.67 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  24.50, 23.27, 25.33 a.u.

 SYSTEM =  unknown system                          
 POSCAR =  F2                                      

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = normal    normal or accurate (medium, high low for compatibility)
   ISTART =      1    job   : 0-new  1-cont  2-samecut
   ICHARG =      0    charge: 1-file 2-atom 10-const
   ISPIN  =      1    spin polarized calculation?
   LNONCOLLINEAR =      F non collinear calculations
   LSORBIT =      F    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      T    aspherical Exc in radial PAW
 Electronic Relaxation 1
   ENCUT  =  800.0 eV  58.80 Ry    7.67 a.u.  21.91 23.06 24.22*2*pi/ulx,y,z
   ENINI  =  800.0     initial cutoff
   ENAUG  = 2190.6 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  2; NELMDL=  0     # of ELM steps 
   EDIFF  = 0.1E-07   stopping-criterion for ELM
   LREAL  =      F    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =    0.00000
 Ionic relaxation
   EDIFFG = 0.1E-06   stopping-criterion for IOM
   NSW    =      0    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      1    inner block; outer block 
   IBRION =     -1    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      0    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      0    stress and relaxation
   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      3    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps = 0.13E+47 mass=  -0.206E-26a.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 =  19.00
  Ionic Valenz
   ZVAL   =   7.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00
  virtual crystal weights 
   VCA    =   1.00
   NELECT =      14.0000    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  =     38    algorithm
   LDIAG  =      T    sub-space diagonalisation (order eigenvalues)
   LSUBROT=      F    optimize rotation matrix (better conditioning)
   TURBO    =      0    0=normal 1=particle mesh
   IRESTART =      0    0=no restart 2=restart with 2 vectors
   NREBOOT  =      0    no. of reboots
   NMIN     =      0    reboot dimension
   EREF     =   0.00    reference energy to select bands
   IMIX   =      4    mixing-type and parameters
     AMIX     =   0.40;   BMIX     =  1.00
     AMIX_MAG =   1.60;   BMIX_MAG =  1.00
     AMIN     =   0.10
     WC   =   100.;   INIMIX=   1;  MIXPRE=   1;  MAXMIX= -45

 Intra band minimization:
   WEIMIN = 0.0000     energy-eigenvalue tresh-hold
   EBREAK =  0.26E-10  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =     498.75      3365.73
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.394893  0.746240  2.121703  0.155941
  Thomas-Fermi vector in A             =   1.339966
 
 Write flags
   LWAVE        =      T    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      T    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =      0    0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes


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

 Exchange correlation treatment:
   GGA     =    --    GGA type
   LEXCH   =     8    internal setting for exchange type
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   EXXOEP  =     0    0=HF, 1=EXX-LHF (local Hartree Fock) 2=EXX OEP
   LHFCALC =     T    Hartree Fock is set to
   LSYMGRAD=     F    symmetrize gradient (conserves proper symmetry)
   PRECFOCK=normal    Normal, Fast or Accurate (Low or Medium for compatibility)
   LRHFCALC=     F    long range Hartree Fock
   LRSCOR  =     F    long range correlation only (use DFT for short range part)
   LTHOMAS =     F    Thomas Fermi screening in HF
   LMODELHF=     F    short range full HF, long range fraction AEXX
   LFOCKACE=     T    use Adeptively-Compressed-Exchange operator
   ENCUT4O =  -1.0   cutoff for four orbital integrals eV
   LMAXFOCK=     4    L truncation for augmentation on plane wave grid
   LMAXFOCKAE=   4    L truncation for all-electron charge restoration on plane wave grid
   NMAXFOCKAE=   1    number of basis functions for all-electron charge restoration
   LFOCKAEDFT=     F  apply the AE augmentation even for DFT
   NKREDX  =     1    reduce k-point grid by
   NKREDY  =     1    reduce k-point grid by
   NKREDZ  =     1    reduce k-point grid by
   SHIFTRED=     F    shift reduced grid of Gamma
   HFKIDENT=     F    idential grid for each k-point
   ODDONLY =     F    use only odd q-grid points
   EVENONLY=     F    use only even q-grid points
   HFALPHA =   -1.0000 decay constant for conv. correction
   MCALPHA =    0.0000 extent of test-charge in conv. correction in multipole expansion
   AEXX    =    1.0000 exact exchange contribution
   HFSCREEN=    0.0000 screening length (either q_TF or 0.3 A-1)
   HFSCREENC=   0.0000 screening length for correlation (either q_TF or 0.3 A-1)
   HFRCUT  =    0.0000 spherical cutoff for potential kernel
   ALDAX   =    0.0000 LDA exchange part
   AGGAX   =    0.0000 GGA exchange part
   ALDAC   =    0.0000 LDA correlation
   AGGAC   =    0.0000 GGA correlation
   ENCUTFOCK=  -1.0 apply spherical cutoff to Coloumb kernel
   NBANDSGWLOW=     1    first orbital included in HF term
   NBLOCK_FOCK=    64    blocking factor in FOCK_ACC
 Linear response parameters
   LEPSILON=     F    determine dielectric tensor
   LRPA    =     F    only Hartree local field effects (RPA)
   LNABLA  =     F    use nabla operator in PAW spheres
   LVEL    =     F    velocity operator in full k-point grid
   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
   OMEGAMAX=  -1.0    maximum frequency
   DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
   RTIME   =   -0.100 relaxation time in fs
  (WPLASMAI=    0.000 imaginary part of plasma frequency in eV, 0.658/RTIME)
   DFIELD  = 0.0000000 0.0000000 0.0000000 field for delta impulse in time
 
  Optional k-point grid parameters
   KPOINTS_OPT  =      F    use optional k-point grid
   KPOINTS_OPT_MODE=     1    mode for optional k-point grid
 
 Orbital magnetization related:
   ORBITALMAG=     F  switch on orbital magnetization
   LCHIMAG   =     F  perturbation theory with respect to B field
   DQ        =  0.001000  dq finite difference perturbation B field
   LLRAUG    =     F  two centre corrections for induced B field

 Response functions by sum over occupied states:
   ALGO                = ACFDT    selected many-body perturbation algorithm
   LFINITE_TEMPERATURE =     F    use finite temperature formalism
   LFXC                =     F    include DFT xc kernel in TD-HF and W
   LADDER              =     F    particle hole ladder diagrams for BSE/TD-HF and W (Nano-quanta)
   LRPAFORCE           =     F    calculate RPA forces
   LHARTREE            =     T    include Hartree terms (bubbles-RPA) in BSE/TD-HF
   IBSE                =     0    BSE modus: 0 exact, 1 time-evolution (store matrix), 10 time-evolution (implicit)
   KPOINT              =    -1   0   0   0    k-point index at which BSE equation is solved (and G at which response is eval.)
   LTRIPLET            =     F    triplet instead of singlet excitation (BSE only)
   LRSRPA              =     F    range separated RPA (total - short) in ACFDT
   LTCTC               =     F    use test-charge test-charge for self-energy (with ALGO=QPBSE)
   LTCTE               =     F    use test-charge test-electron dielectric function
   LTETE               =     F    use test-electron test-electron dielectric function
   LFXCEPS             =     F    determine f_xc=epsilon-1/Xi Sharma and Gross kernel
   LFXHEG              =     F    model exchange using f_x(G,k_F) from free electron gas
   NATURALO            =     2    0 natural orbitals, 1 only virtual, 2 only occupied-virtual rotation
   LHOLEGF             =     F    use holes in self-consistent GW 
   L2ORDER             =     F    2nd order terms only
   LDMP1               =     F    first order term in ACFDT routine is calculated
   LMP2LT              =     F    use LT MP2
   LSMP2LT             =     F    use stochastic LT MP2
   LGWLF               =     F    use W potentials for exchange like diagrams
   ENCUTGW             = 400.0    cutoff for response function in eV
   ENCUTGWSOFT         = 320.0    soft cutoff for Coulomb kernel in GW response function in eV
   ENCUTLF             =  -1.0    cutoff for local field effects
   LESF_SPLINES        =     F    tricubic splines for electronic structure factor S(q+G)
   LMAXMP2             =    -1    maximum L for one center terms
   SCISSOR             =   0.0    scissor correction
   NOMEGA              =    14    number of frequencies
   NOMEGAR             =     0    number of frequencies along real axis
   NBANDSGW            =    -1    number of bands for which selfenergy shift is calculated
   NBANDSGWLOW         =     1    lowest band included in GW (to exclude core correlation)
   NBANDSO             =    -1    number of bands for electron-hole treatment (occupied)
   NBANDSV             =    -1    number of bands for electron-hole treatment (virtual)
   NELM                =     1    number of iterations in solving QP/BSE equation
   NELMHF              =     1    number of iterations in the inner HF iteration
   DIM                 =     3    dimensionality of system (0=0D molecules, 3=3D)
   IEPSILON            =     4    cartesion direction for which dielectric function is calculated (4=all)
   ANTIRES             =     0    antiresonant part (0) no TDA (1) w=0 exact (2) accurate
   OMEGAMAX            = -30.0    maximum frequency
   OMEGAMIN            = -30.0    minimum frequency
   OMEGATL             =-200.0    maximum frequency of tail
   OMEGAGRID           =   145    grid type (0 default)
   CSHIFT              =  -0.1    complex shift used in evaluation of response functions
   LSELFENERGY         =     F    calculate selfenergy instead of QP shifts
   LSPECTRAL           =     F    use spectral functions                   
   LSPECTRALGW         =     F    use spectral functions to calculate int dz G(w-z) W(z) (more accurate)
   LSINGLES            =     F    calculate the singles contribution to the correlation energy
   LFERMIGW            =     F    update Fermi-energy in the Greens function

   ODDONLYGW           =     F    avoid all even points for polarizability 
   EVENONLYGW          =     F    avoid all odd  points for polarizability 
   NKREDLFX            =     1    NKREDLFY  =   1   NKREDLFZ  =   1

   TELESCOPE           =     0    use telescope k-point sampling
   NTAUPAR             =     1    number of TAU groups used in imaginary time calculation
   NOMEGAPAR           =    -1    number of OMEGA groups used in imaginary frequency calculation
   DAMP_NEWTON         =0.8000    damping for Newton step for position update when RPA forces are used



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


 Static calculation
 charge density and potential will be updated during run
 non-spin polarized calculation
 Variant of blocked Davidson
 Davidson routine will perform the subspace rotation
 perform sub-space diagonalisation
    after iterative eigenvector-optimisation
 modified Broyden-mixing scheme, WC =      100.0
 initial mixing is a Kerker type mixing with AMIX =  0.4000 and BMIX =      1.0000
 Hartree-type preconditioning will be used
 using additional bands           89
 reciprocal scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces 
   (improved forces if not selfconsistent)
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Gauss-broadening in eV      SIGMA  =   0.05


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


  energy-cutoff  :      800.00
  volume of cell :      997.50
      direct lattice vectors                 reciprocal lattice vectors
     9.500000000  0.000000000  0.000000000     0.105263158  0.000000000  0.000000000
     0.000000000 10.000000000  0.000000000     0.000000000  0.100000000  0.000000000
     0.000000000  0.000000000 10.500000000     0.000000000  0.000000000  0.095238095

  length of vectors
     9.500000000 10.000000000 10.500000000     0.105263158  0.100000000  0.095238095


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      800.00
  volume of cell :      997.50
      direct lattice vectors                 reciprocal lattice vectors
     9.500000000  0.000000000  0.000000000     0.105263158  0.000000000  0.000000000
     0.000000000 10.000000000  0.000000000     0.000000000  0.100000000  0.000000000
     0.000000000  0.000000000 10.500000000     0.000000000  0.000000000  0.095238095

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: kpoint                                  
   0.00000000  0.00000000  0.00000000       1.000
 
 k-points in reciprocal lattice and weights: kpoint                                  
   0.00000000  0.00000000  0.00000000       1.000
 
 position of ions in fractional coordinates (direct lattice) 
   0.00000000  0.00000000  0.06719610
   0.00000000  0.00000000  0.93280390
 
 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  0.70555900
   0.00000000  0.00000000  9.79444100
 


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


 use serial FFT for orbitals x direction half grid
 k-point   1 :   0.0000 0.0000 0.0000  plane waves:   25595

 maximum and minimum number of plane-waves per node :     25595    25595

 maximum number of plane-waves:     25595
 maximum index in each direction: 
   IXMAX=   21   IYMAX=   23   IZMAX=   24
   IXMIN=    0   IYMIN=  -23   IZMIN=  -24


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

 
 Radii for the augmentation spheres in the non-local exchange
 for species   1 augmentation radius   0.488 (default was   0.488)
 error exchange integrals (PW-AE in eV) (mean, max) 1.117 9.774 density error[0,qmax] 0.0006
 Maximum index for augmentation-charges in exchange          196
  SETUP_FOCK is finished

 total amount of memory used by VASP MPI-rank0    56876. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :       5126. kBytes
   fftplans  :       3045. kBytes
   grid      :      17926. kBytes
   one-center:         21. kBytes
   HF        :        176. kBytes
   nonlr-proj:        172. kBytes
   wavefun   :        410. kBytes
 
     INWAV:  cpu time      0.1574: real time      0.1589
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 43   NGY = 47   NGZ = 49
  (NGX  =140   NGY  =140   NGZ  =160)
  gives a total of  99029 points

 charge density for first step will be calculated from the start-wavefunctions


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


 Maximum index for augmentation-charges          157 (set IRDMAX)


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


 initial charge from wavefunction
    FEWALD:  cpu time      0.0004: real time      0.0003


--------------------------------------- Iteration      0(   1)  ---------------------------------------


    POTLOK:  cpu time      0.0462: real time      0.0469
    SETDIJ:  cpu time      0.1304: real time      0.1309
     EDDAV:  cpu time      0.1396: real time      0.1404
       DOS:  cpu time      0.0045: real time      0.0048
    CHARGE:  cpu time      0.0242: real time      0.0242
    MIXING:  cpu time      0.0018: real time      0.0021
    --------------------------------------------
      LOOP:  cpu time      0.3467: real time      0.3494

 eigenvalue-minimisations  :   192
 total energy-change (2. order) :-0.3620468E+01  ( 0.6750156E-10)
 number of electron      13.9999983 magnetization 
 augmentation part        0.6701514 magnetization 

 Broyden mixing:
  rms(total) = 0.21847E-05    rms(broyden)= 0.21819E-05
  rms(prec ) = 0.25937E-05
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         0.57816564
  Ewald energy   TEWEN  =       102.68901332
  -Hartree energ DENC   =     -1251.60791073
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        47.45456981
  PAW double counting   =      1136.27402399    -1115.71690008
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -241.36998496
  atomic energy  EATOM  =      1318.07855474
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -3.62046827 eV

  energy without entropy =       -3.62046827  energy(sigma->0) =       -3.62046827
  exchange ACFDT corr.  =         0.00000000  see jH, gK, PRB 81, 115126


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




--------------------------------------- Iteration      0(   2)  ---------------------------------------


    POTLOK:  cpu time      0.0429: real time      0.0431
    SETDIJ:  cpu time      0.1304: real time      0.1307
     EDDAV:  cpu time      0.2888: real time      0.2894
       DOS:  cpu time      0.0047: real time      0.0047
    --------------------------------------------
      LOOP:  cpu time      0.4668: real time      0.4679

 eigenvalue-minimisations  :   384
 total energy-change (2. order) : 0.2380602E-09  ( 0.1075051E-09)
 number of electron      13.9999983 magnetization 
 augmentation part        0.6701514 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         0.57816564
  Ewald energy   TEWEN  =       102.68901332
  -Hartree energ DENC   =     -1251.60782410
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        47.45456537
  PAW double counting   =      1136.27381968    -1115.71669564
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -241.37006729
  atomic energy  EATOM  =      1318.07855474
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -3.62046827 eV

  energy without entropy =       -3.62046827  energy(sigma->0) =       -3.62046827
  exchange ACFDT corr.  =         0.00000000  see jH, gK, PRB 81, 115126


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




 average (electrostatic) potential at core
  the test charge radii are     0.4881
  (the norm of the test charge is              1.0000)
       1-148.0158       2-148.0158
 
 
 
 E-fermi :  -8.9744     XC(G=0):  -0.5690     alpha+bet : -0.1367

 Fermi energy:        -8.9744278130

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -33.8529      2.00000
      2     -27.5283      2.00000
      3     -15.3009      2.00000
      4     -12.7048      2.00000
      5     -12.7023      2.00000
      6      -9.2988      2.00000
      7      -9.2970      2.00000
      8      -5.6374      0.00000
      9      -0.3077      0.00000
     10       1.0692      0.00000
     11       1.0760      0.00000
     12       1.2150      0.00000
     13       1.3507      0.00000
     14       1.3586      0.00000
     15       1.5191      0.00000
     16       2.5660      0.00000
     17       2.5862      0.00000
     18       2.5915      0.00000
     19       2.6974      0.00000
     20       2.7165      0.00000
     21       2.7322      0.00000
     22       2.8889      0.00000
     23       2.8891      0.00000
     24       2.9047      0.00000
     25       3.0156      0.00000
     26       3.0576      0.00000
     27       3.0731      0.00000
     28       4.2626      0.00000
     29       4.2688      0.00000
     30       4.2888      0.00000
     31       4.3365      0.00000
     32       4.3516      0.00000
     33       4.3524      0.00000
     34       4.3752      0.00000
     35       4.5164      0.00000
     36       5.0185      0.00000
     37       5.2157      0.00000
     38       5.6086      0.00000
     39       5.7472      0.00000
     40       6.2719      0.00000
     41       6.3829      0.00000
     42       6.6028      0.00000
     43       6.6363      0.00000
     44       6.6471      0.00000
     45       6.7679      0.00000
     46       6.7992      0.00000
     47       6.8147      0.00000
     48       6.8961      0.00000
     49       6.9336      0.00000
     50       7.1060      0.00000
     51       7.1138      0.00000
     52       7.1754      0.00000
     53       7.1806      0.00000
     54       7.1912      0.00000
     55       7.4360      0.00000
     56       7.5041      0.00000
     57       7.5109      0.00000
     58       7.7024      0.00000
     59       7.7813      0.00000
     60       7.8026      0.00000
     61       7.8991      0.00000
     62       7.9528      0.00000
     63       7.9986      0.00000
     64       8.0363      0.00000
     65       8.0629      0.00000
     66       8.2799      0.00000
     67       8.3449      0.00000
     68       8.3520      0.00000
     69       8.3594      0.00000
     70       8.3622      0.00000
     71       8.3641      0.00000
     72       8.5008      0.00000
     73       8.5827      0.00000
     74       8.7780      0.00000
     75       8.7797      0.00000
     76       8.8252      0.00000
     77       8.8327      0.00000
     78       8.8671      0.00000
     79       8.8743      0.00000
     80       8.9349      0.00000
     81       9.0391      0.00000
     82       9.2886      0.00000
     83       9.3100      0.00000
     84       9.3213      0.00000
     85       9.3469      0.00000
     86       9.3666      0.00000
     87       9.3932      0.00000
     88       9.4439      0.00000
     89       9.8276      0.00000
     90      11.1127      0.00000
     91      11.1938      0.00000
     92      11.1950      0.00000
     93      11.2537      0.00000
     94      11.7533      0.00000
     95      11.7790      0.00000
     96      11.8411      0.00000


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


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 20.315 -35.152   0.000  -0.017  -0.000  -0.000  -0.121  -0.000
-35.152  61.830  -0.000   0.027   0.000   0.000   0.199   0.000
  0.000  -0.000 -18.810  -0.000  -0.000   7.043   0.000   0.000
 -0.017   0.027  -0.000 -18.920   0.000   0.000   7.257  -0.000
 -0.000   0.000  -0.000   0.000 -18.810   0.000  -0.000   7.043
 -0.000   0.000   7.043   0.000   0.000  76.628  -0.000  -0.000
 -0.121   0.199   0.000   7.257  -0.000  -0.000  76.382   0.000
 -0.000   0.000   0.000  -0.000   7.043  -0.000   0.000  76.628
  0.000  -0.000  10.535  -0.000  -0.000 *******   0.000  -0.000
  0.215  -0.367  -0.000  10.337   0.000   0.000 *******  -0.000
  0.000  -0.000  -0.000   0.000  10.535  -0.000  -0.000 *******
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.019   0.000   0.000  -0.101  -0.000  -0.000
 -0.014   0.024  -0.000   0.021  -0.000   0.000  -0.111   0.000
 -0.000   0.000   0.000   0.000   0.019  -0.000  -0.000  -0.101
  0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 -0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000
  0.000  -0.000   0.051   0.000   0.000  -0.193  -0.000  -0.000
 -0.037   0.050  -0.000   0.055  -0.000   0.000  -0.211   0.000
 -0.000   0.000   0.000   0.000   0.050  -0.000  -0.000  -0.193
 -0.000   0.000  -0.000  -0.000   0.000   0.000   0.000  -0.000
 total augmentation occupancy for first ion, spin component:           1
  2.019   0.006   0.000   0.134  -0.000   0.000  -0.001   0.000   0.000   0.000   0.000  -0.000  -0.000   0.013   0.000   0.000
  0.006   0.000   0.000  -0.016  -0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000   0.000   0.002  -0.000  -0.000
  0.000   0.000   2.005   0.000  -0.000  -0.010  -0.000  -0.000  -0.013  -0.000  -0.000   0.000  -0.010  -0.000  -0.000   0.000
  0.134  -0.016   0.000   1.047   0.000   0.000   0.031   0.000   0.000   0.006   0.000  -0.000  -0.000  -0.065   0.000   0.000
 -0.000  -0.000  -0.000   0.000   2.004  -0.000  -0.000  -0.010  -0.000  -0.000  -0.013   0.000   0.000   0.000  -0.010   0.000
  0.000  -0.000  -0.010   0.000  -0.000   0.000   0.000   0.000   0.000  -0.000   0.000  -0.000  -0.001  -0.000   0.000  -0.000
 -0.001  -0.001  -0.000   0.031  -0.000   0.000   0.002   0.000   0.000   0.000   0.000   0.000  -0.000  -0.003  -0.000   0.000
  0.000   0.000  -0.000   0.000  -0.010   0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000  -0.001   0.000
  0.000  -0.000  -0.013   0.000  -0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000   0.006  -0.000  -0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.001  -0.000   0.000
  0.000   0.000  -0.000   0.000  -0.013   0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.000  -0.000  -0.000  -0.000
 -0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000   0.000   0.000  -0.000  -0.000  -0.000
 -0.000   0.000  -0.010  -0.000   0.000  -0.001  -0.000  -0.000  -0.000   0.000  -0.000   0.000   0.002   0.000   0.000   0.000
  0.013   0.002  -0.000  -0.065   0.000  -0.000  -0.003  -0.000  -0.000  -0.001  -0.000  -0.000   0.000   0.006   0.000  -0.000
  0.000  -0.000  -0.000   0.000  -0.010   0.000  -0.000  -0.001  -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.002  -0.000
  0.000  -0.000   0.000   0.000   0.000  -0.000   0.000   0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000  -0.000   0.000
 -0.000  -0.000   0.000   0.000   0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000   0.000   0.000  -0.000   0.000   0.000
 -0.000  -0.000  -0.003  -0.000  -0.000   0.000   0.000   0.000   0.000  -0.000   0.000  -0.000  -0.001  -0.000  -0.000  -0.000
  0.001  -0.000  -0.000   0.015  -0.000  -0.000   0.001   0.000   0.000   0.000   0.000   0.000   0.000  -0.001  -0.000   0.000
 -0.000   0.000  -0.000  -0.000  -0.003   0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.000   0.000  -0.001   0.000
 -0.000   0.000   0.000  -0.000   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 ----------------------------------------


 HF-forces evaluated using KS orbitals
 -------------------------------------
    FORLOC:  cpu time      0.0008: real time      0.0008
    FORHF :  cpu time      0.1891: real time      0.1937
    FORNL :  cpu time      0.0101: real time      0.0103
    FORCOR:  cpu time      0.1642: real time      0.1649
    OFIELD:  cpu time      0.0002: real time      0.0003

 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      800.00
  volume of cell :      997.50
      direct lattice vectors                 reciprocal lattice vectors
     9.500000000  0.000000000  0.000000000     0.105263158  0.000000000  0.000000000
     0.000000000 10.000000000  0.000000000     0.000000000  0.100000000  0.000000000
     0.000000000  0.000000000 10.500000000     0.000000000  0.000000000  0.095238095

  length of vectors
     9.500000000 10.000000000 10.500000000     0.105263158  0.100000000  0.095238095


 FORCES acting on ions:
    Electron-Ion                     Ewald-Force                    Non-Local-Force
 -----------------------------------------------------------------------------------------------
   -.322E-06 -.878E-07 -.303E+03   0.165E-15 0.310E-16 0.351E+03   0.000E+00 0.000E+00 -.427E+02
   0.166E-06 -.167E-07 0.303E+03   -.190E-15 -.151E-16 -.351E+03   0.000E+00 0.000E+00 0.427E+02
 -----------------------------------------------------------------------------------------------
   -.156E-06 -.105E-06 0.243E-06   -.254E-16 0.160E-16 0.000E+00   0.000E+00 0.000E+00 -.711E-14
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.70556         0.000000      0.000000     -4.806676
      0.00000      0.00000      9.79444         0.000000      0.000000      4.806676
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000000      0.000000

 total amount of memory used by VASP MPI-rank0   275875. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :       5126. kBytes
   fftplans  :       3045. kBytes
   grid      :      17926. kBytes
   one-center:         21. kBytes
   HF        :        176. kBytes
   nonlr-proj:        172. kBytes
   wavefun   :     219409. kBytes
 

 Exact diagonalization of KS Hamiltonian yields:
 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         0.57816564
  Ewald energy   TEWEN  =       102.68901332
  -Hartree energ DENC   =     -1251.60774117
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =        47.45456158
  PAW double counting   =      1136.27371610    -1115.71659194
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -241.37014655
  atomic energy  EATOM  =      1318.07855474
  ---------------------------------------------------
  free energy    TOTEN  =        -3.62046827 eV


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



 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)
  --------------------------------------------------------------------------------------
      19.824       0.000       0.000       0.000       0.000       0.000
       0.000       0.000      19.820       0.000       0.000       0.000
       0.000       0.000       0.000       0.000      19.537       0.000
  --------------------------------------------------------------------------------------
 sumrule: sum of plasma frequencies squared should yield (valence only):      19.353

 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
  --------------------------------------------------------------------------------------------------------------
    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
   10.010810    0.006954    0.006907    0.620424    0.000000    0.000000    0.000000
   20.021620    0.028300    0.018760    0.014836    0.000000    0.000000    0.000000
   30.032430    0.016773    0.013660    0.003313   -0.000000    0.000000    0.000000
   40.043240    0.012323    0.009710    0.006386    0.000000    0.000000    0.000000
   50.054050    0.009634    0.006201    0.004343    0.000000    0.000000    0.000000
   60.064860    0.003875    0.004057    0.001711    0.000000    0.000000    0.000000
   70.075670    0.003304    0.001447    0.001571    0.000000    0.000000    0.000000
   80.086480    0.001947    0.001715    0.002588    0.000000    0.000000    0.000000
   90.097290    0.002714    0.001656    0.001579    0.000000    0.000000    0.000000
  100.108100    0.000888    0.000930    0.000935    0.000000    0.000000    0.000000
  110.118910    0.000350    0.000379    0.000368    0.000000    0.000000    0.000000
  120.129720    0.000449    0.000479    0.000317    0.000000    0.000000    0.000000
  130.140530    0.000407    0.000461    0.000386    0.000000    0.000000    0.000000
  140.151340    0.000435    0.000601    0.000257    0.000000    0.000000    0.000000
  150.162150    0.000252    0.000169    0.000269    0.000000    0.000000    0.000000
  160.172960    0.000316    0.000304    0.000140    0.000000    0.000000    0.000000
  170.183770    0.000220    0.000144    0.000312   -0.000000    0.000000    0.000000
  180.194580    0.000113    0.000098    0.000119    0.000000    0.000000    0.000000
  190.205390    0.000153    0.000133    0.000126    0.000000    0.000000    0.000000
  200.216200    0.000126    0.000117    0.000085    0.000000    0.000000    0.000000
  210.227010    0.000101    0.000085    0.000101    0.000000    0.000000    0.000000
  220.237820    0.000069    0.000092    0.000085   -0.000000    0.000000    0.000000
  230.248630    0.000036    0.000042    0.000042    0.000000    0.000000    0.000000
  240.259440    0.000043    0.000053    0.000060    0.000000    0.000000    0.000000
  250.270250    0.000067    0.000044    0.000052    0.000000    0.000000    0.000000
  260.281060    0.000047    0.000055    0.000036   -0.000000    0.000000    0.000000
  270.291870    0.000028    0.000035    0.000034   -0.000000    0.000000    0.000000
  280.302680    0.000026    0.000029    0.000025   -0.000000    0.000000    0.000000
  290.313490    0.000027    0.000027    0.000018   -0.000000    0.000000    0.000000
  300.324300    0.000019    0.000029    0.000021    0.000000    0.000000    0.000000
  310.335110    0.000017    0.000021    0.000024    0.000000    0.000000    0.000000
  320.345920    0.000018    0.000018    0.000021    0.000000    0.000000    0.000000
  330.356730    0.000025    0.000028    0.000025    0.000000    0.000000    0.000000
  340.367540    0.000017    0.000014    0.000013    0.000000    0.000000    0.000000
  350.378350    0.000025    0.000021    0.000016    0.000000    0.000000    0.000000
  360.389160    0.000012    0.000010    0.000008   -0.000000    0.000000    0.000000
  370.399970    0.000013    0.000008    0.000011    0.000000    0.000000    0.000000
  380.410780    0.000014    0.000009    0.000013   -0.000000    0.000000    0.000000
  390.421590    0.000014    0.000015    0.000014    0.000000    0.000000    0.000000
  400.432400    0.000010    0.000010    0.000006    0.000000    0.000000    0.000000
  410.443210    0.000013    0.000014    0.000010    0.000000    0.000000    0.000000
  420.454020    0.000008    0.000009    0.000007    0.000000    0.000000    0.000000
  430.464830    0.000008    0.000008    0.000007    0.000000    0.000000    0.000000
  440.475640    0.000007    0.000006    0.000006   -0.000000    0.000000    0.000000
  450.486450    0.000006    0.000004    0.000009    0.000000    0.000000    0.000000
  460.497260    0.000005    0.000004    0.000005    0.000000    0.000000    0.000000
  470.508070    0.000006    0.000011    0.000007   -0.000000    0.000000    0.000000
  480.518880    0.000004    0.000003    0.000004    0.000000    0.000000    0.000000
  490.529690    0.000004    0.000005    0.000002   -0.000000    0.000000    0.000000
  500.540500    0.000004    0.000003    0.000004    0.000000    0.000000    0.000000
  510.551310    0.000003    0.000003    0.000004   -0.000000    0.000000    0.000000
  520.562120    0.000002    0.000003    0.000003    0.000000    0.000000    0.000000
  530.572930    0.000002    0.000003    0.000004    0.000000    0.000000    0.000000
  540.583740    0.000002    0.000003    0.000003    0.000000    0.000000    0.000000
  550.594550    0.000004    0.000003    0.000002    0.000000    0.000000    0.000000
  560.605360    0.000004    0.000004    0.000003   -0.000000    0.000000    0.000000
  570.616170    0.000002    0.000003    0.000003    0.000000    0.000000    0.000000
  580.626980    0.000001    0.000002    0.000001    0.000000    0.000000    0.000000
  590.637790    0.000002    0.000002    0.000001    0.000000    0.000000    0.000000
  600.648600    0.000002    0.000002    0.000001    0.000000    0.000000    0.000000
  610.659410    0.000002    0.000002    0.000002   -0.000000    0.000000    0.000000
  620.670220    0.000001    0.000001    0.000001    0.000000    0.000000    0.000000
  630.681030    0.000002    0.000001    0.000001   -0.000000    0.000000    0.000000
  640.691840    0.000001    0.000001    0.000001    0.000000    0.000000    0.000000
  650.702650    0.000002    0.000001    0.000001    0.000000    0.000000    0.000000
  660.713460    0.000001    0.000001    0.000001   -0.000000    0.000000    0.000000
  670.724270    0.000001    0.000001    0.000001    0.000000    0.000000    0.000000
  680.735080    0.000001    0.000001    0.000001    0.000000    0.000000    0.000000
  690.745890    0.000001    0.000001    0.000001    0.000000    0.000000    0.000000
  700.756700    0.000001    0.000001    0.000000    0.000000    0.000000    0.000000
  710.767510    0.000001    0.000000    0.000000    0.000000    0.000000    0.000000
  720.778320    0.000001    0.000001    0.000001    0.000000    0.000000    0.000000
  730.789130    0.000001    0.000001    0.000000    0.000000    0.000000    0.000000
  740.799940    0.000001    0.000001    0.000000    0.000000    0.000000    0.000000
  750.810750    0.000001    0.000000    0.000001   -0.000000    0.000000    0.000000
  760.821560    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  770.832370    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  780.843180    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  790.853990    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  800.864800    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  810.875610    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  820.886420    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  830.897230    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  840.908040    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  850.918850    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  860.929660    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  870.940470    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  880.951280    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  890.962090    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  900.972900    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  910.983710    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  920.994520    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  931.005330    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  941.016141    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  951.026951    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  961.037761    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  971.048571    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  981.059381    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  991.070191    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000

  frequency dependent      REAL DIELECTRIC FUNCTION (independent particle, no local field effects) density-density
     E(ev)        X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------------------------------------
    0.000000    1.016176    1.016175    1.049354    0.000000    0.000000    0.000000
   10.010810    1.022990    1.022980    1.022529    0.000000    0.000000    0.000000
   20.021620    1.011025    1.013151    1.003682    0.000000    0.000000    0.000000
   30.032430    0.996717    0.998172    0.993738   -0.000000    0.000000    0.000000
   40.043240    0.995253    0.993535    0.997685   -0.000000    0.000000    0.000000
   50.054050    0.997068    0.994258    0.993338   -0.000000    0.000000    0.000000
   60.064860    0.997043    0.996326    0.996441   -0.000000    0.000000    0.000000
   70.075670    0.996170    0.996501    0.996557   -0.000000    0.000000    0.000000
   80.086480    0.997290    0.997548    0.997686    0.000000    0.000000    0.000000
   90.097290    0.997901    0.997500    0.998114    0.000000    0.000000    0.000000
  100.108100    0.998316    0.998066    0.998237   -0.000000    0.000000    0.000000
  110.118910    0.998278    0.998042    0.998468   -0.000000    0.000000    0.000000
  120.129720    0.998622    0.998738    0.998801   -0.000000    0.000000    0.000000
  130.140530    0.998834    0.998972    0.998858   -0.000000    0.000000    0.000000
  140.151340    0.999050    0.998956    0.999002    0.000000    0.000000    0.000000
  150.162150    0.999007    0.999049    0.999099    0.000000    0.000000    0.000000
  160.172960    0.999221    0.999181    0.999217   -0.000000    0.000000    0.000000
  170.183770    0.999315    0.999254    0.999328   -0.000000    0.000000    0.000000
  180.194580    0.999358    0.999330    0.999336   -0.000000    0.000000    0.000000
  190.205390    0.999395    0.999446    0.999464   -0.000000    0.000000    0.000000
  200.216200    0.999485    0.999476    0.999479    0.000000    0.000000    0.000000
  210.227010    0.999514    0.999513    0.999496   -0.000000    0.000000    0.000000
  220.237820    0.999573    0.999559    0.999567   -0.000000    0.000000    0.000000
  230.248630    0.999601    0.999595    0.999607    0.000000    0.000000    0.000000
  240.259440    0.999634    0.999624    0.999634    0.000000    0.000000    0.000000
  250.270250    0.999660    0.999670    0.999668   -0.000000    0.000000    0.000000
  260.281060    0.999680    0.999697    0.999688   -0.000000    0.000000    0.000000
  270.291870    0.999702    0.999704    0.999719   -0.000000    0.000000    0.000000
  280.302680    0.999743    0.999734    0.999739    0.000000    0.000000    0.000000
  290.313490    0.999758    0.999752    0.999762   -0.000000    0.000000    0.000000
  300.324300    0.999759    0.999764    0.999769    0.000000    0.000000    0.000000
  310.335110    0.999779    0.999777    0.999779    0.000000    0.000000    0.000000
  320.345920    0.999793    0.999798    0.999798   -0.000000    0.000000    0.000000
  330.356730    0.999810    0.999811    0.999811   -0.000000    0.000000    0.000000
  340.367540    0.999820    0.999819    0.999824    0.000000    0.000000    0.000000
  350.378350    0.999825    0.999828    0.999828   -0.000000    0.000000    0.000000
  360.389160    0.999840    0.999837    0.999841   -0.000000    0.000000    0.000000
  370.399970    0.999847    0.999848    0.999849    0.000000    0.000000    0.000000
  380.410780    0.999853    0.999855    0.999860   -0.000000    0.000000    0.000000
  390.421590    0.999865    0.999865    0.999867    0.000000    0.000000    0.000000
  400.432400    0.999869    0.999869    0.999870    0.000000    0.000000    0.000000
  410.443210    0.999875    0.999873    0.999875   -0.000000    0.000000    0.000000
  420.454020    0.999882    0.999882    0.999885   -0.000000    0.000000    0.000000
  430.464830    0.999886    0.999885    0.999888   -0.000000    0.000000    0.000000
  440.475640    0.999894    0.999893    0.999894   -0.000000    0.000000    0.000000
  450.486450    0.999896    0.999896    0.999900   -0.000000    0.000000    0.000000
  460.497260    0.999900    0.999901    0.999903   -0.000000    0.000000    0.000000
  470.508070    0.999905    0.999906    0.999907   -0.000000    0.000000    0.000000
  480.518880    0.999910    0.999909    0.999911   -0.000000    0.000000    0.000000
  490.529690    0.999915    0.999914    0.999916   -0.000000    0.000000    0.000000
  500.540500    0.999917    0.999917    0.999918   -0.000000    0.000000    0.000000
  510.551310    0.999920    0.999920    0.999922   -0.000000    0.000000    0.000000
  520.562120    0.999923    0.999923    0.999924   -0.000000    0.000000    0.000000
  530.572930    0.999926    0.999926    0.999927   -0.000000    0.000000    0.000000
  540.583740    0.999929    0.999928    0.999930   -0.000000    0.000000    0.000000
  550.594550    0.999931    0.999932    0.999933   -0.000000    0.000000    0.000000
  560.605360    0.999934    0.999934    0.999935   -0.000000    0.000000    0.000000
  570.616170    0.999936    0.999936    0.999937   -0.000000    0.000000    0.000000
  580.626980    0.999938    0.999938    0.999939   -0.000000    0.000000    0.000000
  590.637790    0.999940    0.999940    0.999941   -0.000000    0.000000    0.000000
  600.648600    0.999942    0.999942    0.999944   -0.000000    0.000000    0.000000
  610.659410    0.999944    0.999944    0.999946   -0.000000    0.000000    0.000000
  620.670220    0.999946    0.999947    0.999947   -0.000000    0.000000    0.000000
  630.681030    0.999948    0.999948    0.999949    0.000000    0.000000    0.000000
  640.691840    0.999949    0.999949    0.999950    0.000000    0.000000    0.000000
  650.702650    0.999951    0.999951    0.999952    0.000000    0.000000    0.000000
  660.713460    0.999953    0.999953    0.999953   -0.000000    0.000000    0.000000
  670.724270    0.999954    0.999954    0.999955    0.000000    0.000000    0.000000
  680.735080    0.999956    0.999956    0.999956    0.000000    0.000000    0.000000
  690.745890    0.999957    0.999957    0.999957   -0.000000    0.000000    0.000000
  700.756700    0.999958    0.999958    0.999959   -0.000000    0.000000    0.000000
  710.767510    0.999959    0.999959    0.999960   -0.000000    0.000000    0.000000
  720.778320    0.999960    0.999960    0.999961   -0.000000    0.000000    0.000000
  730.789130    0.999962    0.999962    0.999962   -0.000000    0.000000    0.000000
  740.799940    0.999962    0.999962    0.999963   -0.000000    0.000000    0.000000
  750.810750    0.999964    0.999963    0.999964   -0.000000    0.000000    0.000000
  760.821560    0.999964    0.999964    0.999965   -0.000000    0.000000    0.000000
  770.832370    0.999965    0.999965    0.999966   -0.000000    0.000000    0.000000
  780.843180    0.999966    0.999966    0.999967   -0.000000    0.000000    0.000000
  790.853990    0.999967    0.999967    0.999968   -0.000000    0.000000    0.000000
  800.864800    0.999968    0.999968    0.999968   -0.000000    0.000000    0.000000
  810.875610    0.999969    0.999969    0.999969   -0.000000    0.000000    0.000000
  820.886420    0.999970    0.999970    0.999970   -0.000000    0.000000    0.000000
  830.897230    0.999970    0.999970    0.999971   -0.000000    0.000000    0.000000
  840.908040    0.999971    0.999971    0.999972   -0.000000    0.000000    0.000000
  850.918850    0.999972    0.999972    0.999972   -0.000000    0.000000    0.000000
  860.929660    0.999973    0.999973    0.999973   -0.000000    0.000000    0.000000
  870.940470    0.999973    0.999973    0.999974   -0.000000    0.000000    0.000000
  880.951280    0.999974    0.999974    0.999974   -0.000000    0.000000    0.000000
  890.962090    0.999974    0.999974    0.999975   -0.000000    0.000000    0.000000
  900.972900    0.999975    0.999975    0.999975   -0.000000    0.000000    0.000000
  910.983710    0.999976    0.999976    0.999976   -0.000000    0.000000    0.000000
  920.994520    0.999976    0.999976    0.999976   -0.000000    0.000000    0.000000
  931.005330    0.999977    0.999977    0.999977   -0.000000    0.000000    0.000000
  941.016141    0.999977    0.999977    0.999978   -0.000000    0.000000    0.000000
  951.026951    0.999978    0.999978    0.999978   -0.000000    0.000000    0.000000
  961.037761    0.999978    0.999978    0.999978   -0.000000    0.000000    0.000000
  971.048571    0.999979    0.999979    0.999979   -0.000000    0.000000    0.000000
  981.059381    0.999979    0.999979    0.999979   -0.000000    0.000000    0.000000
  991.070191    0.999979    0.999979    0.999980   -0.000000    0.000000    0.000000

  frequency dependent IMAGINARY DIELECTRIC FUNCTION (independent particle, no local field effects) current-current
     E(ev)      X         Y         Z        XY        YZ        ZX
  --------------------------------------------------------------------------------------------------------------
    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
   10.010810    0.007467    0.007418    0.578211    0.000000    0.000000    0.000000
   20.021620    0.028012    0.018538    0.015182    0.000000    0.000000    0.000000
   30.032430    0.016934    0.013831    0.003295    0.000000    0.000000    0.000000
   40.043240    0.012369    0.009794    0.006410    0.000000    0.000000    0.000000
   50.054050    0.009642    0.006212    0.004376    0.000000    0.000000    0.000000
   60.064860    0.003854    0.004048    0.001718    0.000000    0.000000    0.000000
   70.075670    0.003332    0.001455    0.001577   -0.000000    0.000000    0.000000
   80.086480    0.001936    0.001713    0.002593   -0.000000    0.000000    0.000000
   90.097290    0.002715    0.001659    0.001577   -0.000000    0.000000    0.000000
  100.108100    0.000888    0.000931    0.000936    0.000000    0.000000    0.000000
  110.118910    0.000350    0.000379    0.000369   -0.000000    0.000000    0.000000
  120.129720    0.000449    0.000480    0.000317   -0.000000    0.000000    0.000000
  130.140530    0.000406    0.000462    0.000386    0.000000    0.000000    0.000000
  140.151340    0.000434    0.000601    0.000257    0.000000    0.000000    0.000000
  150.162150    0.000252    0.000169    0.000269    0.000000    0.000000    0.000000
  160.172960    0.000317    0.000303    0.000140    0.000000    0.000000    0.000000
  170.183770    0.000220    0.000144    0.000312    0.000000    0.000000    0.000000
  180.194580    0.000112    0.000098    0.000120    0.000000    0.000000    0.000000
  190.205390    0.000153    0.000133    0.000126    0.000000    0.000000    0.000000
  200.216200    0.000126    0.000117    0.000085    0.000000    0.000000    0.000000
  210.227010    0.000101    0.000086    0.000101   -0.000000    0.000000    0.000000
  220.237820    0.000069    0.000092    0.000085    0.000000    0.000000    0.000000
  230.248630    0.000036    0.000042    0.000042    0.000000    0.000000    0.000000
  240.259440    0.000042    0.000053    0.000060   -0.000000    0.000000    0.000000
  250.270250    0.000066    0.000044    0.000053    0.000000    0.000000    0.000000
  260.281060    0.000047    0.000055    0.000037    0.000000    0.000000    0.000000
  270.291870    0.000028    0.000035    0.000034    0.000000    0.000000    0.000000
  280.302680    0.000026    0.000029    0.000025    0.000000    0.000000    0.000000
  290.313490    0.000027    0.000027    0.000018    0.000000    0.000000    0.000000
  300.324300    0.000019    0.000029    0.000021    0.000000    0.000000    0.000000
  310.335110    0.000017    0.000021    0.000024    0.000000    0.000000    0.000000
  320.345920    0.000018    0.000018    0.000021    0.000000    0.000000    0.000000
  330.356730    0.000025    0.000028    0.000025    0.000000    0.000000    0.000000
  340.367540    0.000017    0.000014    0.000013    0.000000    0.000000    0.000000
  350.378350    0.000025    0.000021    0.000016    0.000000    0.000000    0.000000
  360.389160    0.000012    0.000010    0.000008   -0.000000    0.000000    0.000000
  370.399970    0.000013    0.000008    0.000011   -0.000000    0.000000    0.000000
  380.410780    0.000014    0.000009    0.000013   -0.000000    0.000000    0.000000
  390.421590    0.000014    0.000015    0.000014    0.000000    0.000000    0.000000
  400.432400    0.000010    0.000010    0.000006   -0.000000    0.000000    0.000000
  410.443210    0.000013    0.000014    0.000010    0.000000    0.000000    0.000000
  420.454020    0.000008    0.000009    0.000007    0.000000    0.000000    0.000000
  430.464830    0.000008    0.000008    0.000007    0.000000    0.000000    0.000000
  440.475640    0.000007    0.000006    0.000006    0.000000    0.000000    0.000000
  450.486450    0.000006    0.000004    0.000009    0.000000    0.000000    0.000000
  460.497260    0.000005    0.000004    0.000005    0.000000    0.000000    0.000000
  470.508070    0.000006    0.000011    0.000007    0.000000    0.000000    0.000000
  480.518880    0.000004    0.000003    0.000004    0.000000    0.000000    0.000000
  490.529690    0.000004    0.000005    0.000002    0.000000    0.000000    0.000000
  500.540500    0.000004    0.000003    0.000004    0.000000    0.000000    0.000000
  510.551310    0.000003    0.000003    0.000004    0.000000    0.000000    0.000000
  520.562120    0.000002    0.000003    0.000003    0.000000    0.000000    0.000000
  530.572930    0.000002    0.000003    0.000004    0.000000    0.000000    0.000000
  540.583740    0.000002    0.000003    0.000003    0.000000    0.000000    0.000000
  550.594550    0.000004    0.000003    0.000002    0.000000    0.000000    0.000000
  560.605360    0.000004    0.000004    0.000003    0.000000    0.000000    0.000000
  570.616170    0.000002    0.000003    0.000003    0.000000    0.000000    0.000000
  580.626980    0.000001    0.000002    0.000001    0.000000    0.000000    0.000000
  590.637790    0.000002    0.000002    0.000001   -0.000000    0.000000    0.000000
  600.648600    0.000002    0.000002    0.000001    0.000000    0.000000    0.000000
  610.659410    0.000002    0.000002    0.000002    0.000000    0.000000    0.000000
  620.670220    0.000001    0.000001    0.000001    0.000000    0.000000    0.000000
  630.681030    0.000002    0.000001    0.000001    0.000000    0.000000    0.000000
  640.691840    0.000001    0.000001    0.000001    0.000000    0.000000    0.000000
  650.702650    0.000002    0.000001    0.000001    0.000000    0.000000    0.000000
  660.713460    0.000001    0.000001    0.000001    0.000000    0.000000    0.000000
  670.724270    0.000001    0.000001    0.000001    0.000000    0.000000    0.000000
  680.735080    0.000001    0.000001    0.000001    0.000000    0.000000    0.000000
  690.745890    0.000001    0.000001    0.000001    0.000000    0.000000    0.000000
  700.756700    0.000001    0.000001    0.000000    0.000000    0.000000    0.000000
  710.767510    0.000001    0.000000    0.000000    0.000000    0.000000    0.000000
  720.778320    0.000001    0.000001    0.000001    0.000000    0.000000    0.000000
  730.789130    0.000001    0.000001    0.000000    0.000000    0.000000    0.000000
  740.799940    0.000001    0.000001    0.000000    0.000000    0.000000    0.000000
  750.810750    0.000001    0.000000    0.000001   -0.000000    0.000000    0.000000
  760.821560    0.000000    0.000000    0.000000   -0.000000    0.000000    0.000000
  770.832370    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  780.843180    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  790.853990    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  800.864800    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  810.875610    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  820.886420    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  830.897230    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  840.908040    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  850.918850    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  860.929660    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  870.940470    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  880.951280    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  890.962090    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  900.972900    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  910.983710    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  920.994520    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  931.005330    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  941.016141    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  951.026951    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  961.037761    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  971.048571    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  981.059381    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
  991.070191    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000

  frequency dependent      REAL DIELECTRIC FUNCTION (independent particle, no local field effects) current-current
     E(ev)        X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------------------------------------
    0.000000    1.016247    1.016253    1.047018    0.000000    0.000000    0.000000
   10.010810    1.022601    1.022601    0.985006    0.000000    0.000000    0.000000
   20.021620    1.009956    1.012553    1.004029    0.000000    0.000000    0.000000
   30.032430    0.996474    0.997975    0.994207    0.000000    0.000000    0.000000
   40.043240    0.995021    0.993335    0.997702    0.000000    0.000000    0.000000
   50.054050    0.996950    0.994196    0.993425   -0.000000    0.000000    0.000000
   60.064860    0.997010    0.996290    0.996507   -0.000000    0.000000    0.000000
   70.075670    0.996144    0.996486    0.996600    0.000000    0.000000    0.000000
   80.086480    0.997277    0.997534    0.997713   -0.000000    0.000000    0.000000
   90.097290    0.997883    0.997489    0.998138   -0.000000    0.000000    0.000000
  100.108100    0.998312    0.998060    0.998258   -0.000000    0.000000    0.000000
  110.118910    0.998278    0.998042    0.998488   -0.000000    0.000000    0.000000
  120.129720    0.998621    0.998736    0.998819   -0.000000    0.000000    0.000000
  130.140530    0.998833    0.998971    0.998873    0.000000    0.000000    0.000000
  140.151340    0.999049    0.998953    0.999016   -0.000000    0.000000    0.000000
  150.162150    0.999006    0.999048    0.999111    0.000000    0.000000    0.000000
  160.172960    0.999220    0.999180    0.999228    0.000000    0.000000    0.000000
  170.183770    0.999315    0.999254    0.999336    0.000000    0.000000    0.000000
  180.194580    0.999359    0.999330    0.999345   -0.000000    0.000000    0.000000
  190.205390    0.999395    0.999446    0.999472    0.000000    0.000000    0.000000
  200.216200    0.999485    0.999476    0.999485   -0.000000    0.000000    0.000000
  210.227010    0.999515    0.999513    0.999502    0.000000    0.000000    0.000000
  220.237820    0.999573    0.999559    0.999572    0.000000    0.000000    0.000000
  230.248630    0.999601    0.999595    0.999612   -0.000000    0.000000    0.000000
  240.259440    0.999634    0.999624    0.999639    0.000000    0.000000    0.000000
  250.270250    0.999661    0.999670    0.999672    0.000000    0.000000    0.000000
  260.281060    0.999681    0.999697    0.999693    0.000000    0.000000    0.000000
  270.291870    0.999702    0.999704    0.999723    0.000000    0.000000    0.000000
  280.302680    0.999744    0.999734    0.999742    0.000000    0.000000    0.000000
  290.313490    0.999758    0.999752    0.999765    0.000000    0.000000    0.000000
  300.324300    0.999759    0.999764    0.999772   -0.000000    0.000000    0.000000
  310.335110    0.999779    0.999777    0.999782    0.000000    0.000000    0.000000
  320.345920    0.999794    0.999798    0.999801    0.000000    0.000000    0.000000
  330.356730    0.999810    0.999811    0.999813   -0.000000    0.000000    0.000000
  340.367540    0.999820    0.999819    0.999826   -0.000000    0.000000    0.000000
  350.378350    0.999825    0.999828    0.999831    0.000000    0.000000    0.000000
  360.389160    0.999840    0.999837    0.999843    0.000000    0.000000    0.000000
  370.399970    0.999847    0.999848    0.999851   -0.000000    0.000000    0.000000
  380.410780    0.999853    0.999855    0.999862    0.000000    0.000000    0.000000
  390.421590    0.999865    0.999865    0.999868   -0.000000    0.000000    0.000000
  400.432400    0.999869    0.999869    0.999872   -0.000000    0.000000    0.000000
  410.443210    0.999875    0.999873    0.999876    0.000000    0.000000    0.000000
  420.454020    0.999882    0.999882    0.999886   -0.000000    0.000000    0.000000
  430.464830    0.999886    0.999885    0.999890   -0.000000    0.000000    0.000000
  440.475640    0.999894    0.999893    0.999896   -0.000000    0.000000    0.000000
  450.486450    0.999896    0.999896    0.999902   -0.000000    0.000000    0.000000
  460.497260    0.999901    0.999901    0.999904   -0.000000    0.000000    0.000000
  470.508070    0.999905    0.999906    0.999908   -0.000000    0.000000    0.000000
  480.518880    0.999910    0.999910    0.999912    0.000000    0.000000    0.000000
  490.529690    0.999915    0.999914    0.999917    0.000000    0.000000    0.000000
  500.540500    0.999917    0.999917    0.999919   -0.000000    0.000000    0.000000
  510.551310    0.999920    0.999920    0.999923   -0.000000    0.000000    0.000000
  520.562120    0.999923    0.999923    0.999925    0.000000    0.000000    0.000000
  530.572930    0.999926    0.999926    0.999928   -0.000000    0.000000    0.000000
  540.583740    0.999929    0.999928    0.999931   -0.000000    0.000000    0.000000
  550.594550    0.999931    0.999932    0.999934   -0.000000    0.000000    0.000000
  560.605360    0.999934    0.999934    0.999936   -0.000000    0.000000    0.000000
  570.616170    0.999936    0.999936    0.999938   -0.000000    0.000000    0.000000
  580.626980    0.999938    0.999938    0.999940   -0.000000    0.000000    0.000000
  590.637790    0.999940    0.999940    0.999942   -0.000000    0.000000    0.000000
  600.648600    0.999942    0.999942    0.999944    0.000000    0.000000    0.000000
  610.659410    0.999945    0.999945    0.999946   -0.000000    0.000000    0.000000
  620.670220    0.999946    0.999947    0.999948   -0.000000    0.000000    0.000000
  630.681030    0.999948    0.999948    0.999949    0.000000    0.000000    0.000000
  640.691840    0.999950    0.999949    0.999951    0.000000    0.000000    0.000000
  650.702650    0.999951    0.999951    0.999953   -0.000000    0.000000    0.000000
  660.713460    0.999953    0.999953    0.999954   -0.000000    0.000000    0.000000
  670.724270    0.999954    0.999954    0.999955    0.000000    0.000000    0.000000
  680.735080    0.999956    0.999956    0.999957    0.000000    0.000000    0.000000
  690.745890    0.999957    0.999957    0.999958   -0.000000    0.000000    0.000000
  700.756700    0.999958    0.999958    0.999959    0.000000    0.000000    0.000000
  710.767510    0.999959    0.999959    0.999960    0.000000    0.000000    0.000000
  720.778320    0.999960    0.999960    0.999961   -0.000000    0.000000    0.000000
  730.789130    0.999962    0.999962    0.999963   -0.000000    0.000000    0.000000
  740.799940    0.999963    0.999962    0.999964   -0.000000    0.000000    0.000000
  750.810750    0.999964    0.999963    0.999965   -0.000000    0.000000    0.000000
  760.821560    0.999965    0.999964    0.999965    0.000000    0.000000    0.000000
  770.832370    0.999965    0.999965    0.999966   -0.000000    0.000000    0.000000
  780.843180    0.999966    0.999966    0.999967    0.000000    0.000000    0.000000
  790.853990    0.999967    0.999967    0.999968    0.000000    0.000000    0.000000
  800.864800    0.999968    0.999968    0.999969    0.000000    0.000000    0.000000
  810.875610    0.999969    0.999969    0.999970   -0.000000    0.000000    0.000000
  820.886420    0.999970    0.999970    0.999970   -0.000000    0.000000    0.000000
  830.897230    0.999970    0.999970    0.999971   -0.000000    0.000000    0.000000
  840.908040    0.999971    0.999971    0.999972   -0.000000    0.000000    0.000000
  850.918850    0.999972    0.999972    0.999973   -0.000000    0.000000    0.000000
  860.929660    0.999973    0.999973    0.999973   -0.000000    0.000000    0.000000
  870.940470    0.999973    0.999973    0.999974   -0.000000    0.000000    0.000000
  880.951280    0.999974    0.999974    0.999975   -0.000000    0.000000    0.000000
  890.962090    0.999974    0.999974    0.999975   -0.000000    0.000000    0.000000
  900.972900    0.999975    0.999975    0.999976   -0.000000    0.000000    0.000000
  910.983710    0.999976    0.999976    0.999976   -0.000000    0.000000    0.000000
  920.994520    0.999976    0.999976    0.999977   -0.000000    0.000000    0.000000
  931.005330    0.999977    0.999977    0.999977   -0.000000    0.000000    0.000000
  941.016141    0.999977    0.999977    0.999978   -0.000000    0.000000    0.000000
  951.026951    0.999978    0.999978    0.999978   -0.000000    0.000000    0.000000
  961.037761    0.999978    0.999978    0.999979   -0.000000    0.000000    0.000000
  971.048571    0.999979    0.999979    0.999979   -0.000000    0.000000    0.000000
  981.059381    0.999979    0.999979    0.999980   -0.000000    0.000000    0.000000
  991.070191    0.999979    0.999979    0.999980   -0.000000    0.000000    0.000000
 
 The outermost node in the dielectric function lies at epsilon=  -1.0


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


    OPTICS:  cpu time      3.8936: real time      3.9126

 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -33.8529      2.00000
      2     -27.5283      2.00000
      3     -15.3009      2.00000
      4     -12.7048      2.00000
      5     -12.7023      2.00000
      6      -9.2988      2.00000
      7      -9.2970      2.00000
      8      -5.6374      0.00000
      9      -0.3077      0.00000
     10       1.0692      0.00000
     11       1.0760      0.00000
     12       1.2150      0.00000
     13       1.3507      0.00000
     14       1.3586      0.00000
     15       1.5191      0.00000
     16       2.5659      0.00000
     17       2.5861      0.00000
     18       2.5915      0.00000
     19       2.6974      0.00000
     20       2.7165      0.00000
     21       2.7322      0.00000
     22       2.8889      0.00000
     23       2.8891      0.00000
     24       2.9047      0.00000
     25       3.0156      0.00000
     26       3.0576      0.00000
     27       3.0731      0.00000
     28       4.2626      0.00000
     29       4.2687      0.00000
     30       4.2888      0.00000
     31       4.3364      0.00000
     32       4.3516      0.00000
     33       4.3524      0.00000
     34       4.3752      0.00000
     35       4.5164      0.00000
     36       5.0184      0.00000
     37       5.2156      0.00000
     38       5.6085      0.00000
     39       5.7471      0.00000
     40       6.2718      0.00000
     41       6.3819      0.00000
     42       6.6027      0.00000
     43       6.6362      0.00000
     44       6.6457      0.00000
     45       6.7675      0.00000
     46       6.7982      0.00000
     47       6.8146      0.00000
     48       6.8955      0.00000
     49       6.9335      0.00000
     50       7.1060      0.00000
     51       7.1138      0.00000
     52       7.1750      0.00000
     53       7.1805      0.00000
     54       7.1909      0.00000
     55       7.4341      0.00000
     56       7.5022      0.00000
     57       7.5108      0.00000
     58       7.7023      0.00000
     59       7.7755      0.00000
     60       7.7990      0.00000
     61       7.8989      0.00000
     62       7.9467      0.00000
     63       7.9985      0.00000
     64       8.0331      0.00000
     65       8.0628      0.00000
     66       8.2732      0.00000
     67       8.3446      0.00000
     68       8.3453      0.00000
     69       8.3565      0.00000
     70       8.3592      0.00000
     71       8.3637      0.00000
     72       8.5006      0.00000
     73       8.5771      0.00000
     74       8.7779      0.00000
     75       8.7793      0.00000
     76       8.8134      0.00000
     77       8.8248      0.00000
     78       8.8642      0.00000
     79       8.8700      0.00000
     80       8.9325      0.00000
     81       9.0389      0.00000
     82       9.2883      0.00000
     83       9.3052      0.00000
     84       9.3208      0.00000
     85       9.3463      0.00000
     86       9.3466      0.00000
     87       9.3469      0.00000
     88       9.4278      0.00000
     89       9.8273      0.00000
     90      11.0482      0.00000
     91      11.1915      0.00000
     92      11.1926      0.00000
     93      11.2012      0.00000
     94      11.6313      0.00000
     95      11.7754      0.00000
     96      11.7855      0.00000
     97      11.8357      0.00000
     98      11.9058      0.00000
     99      12.0206      0.00000
    100      12.0332      0.00000
    101      12.3935      0.00000
    102      12.4582      0.00000
    103      12.5269      0.00000
    104      12.6213      0.00000
    105      12.6380      0.00000
    106      12.7488      0.00000
    107      12.7859      0.00000
    108      12.8538      0.00000
    109      12.8568      0.00000
    110      12.8606      0.00000
    111      12.9951      0.00000
    112      13.0275      0.00000
    113      13.2402      0.00000
    114      13.2530      0.00000
    115      13.2797      0.00000
    116      13.3579      0.00000
    117      13.3754      0.00000
    118      13.3765      0.00000
    119      13.3857      0.00000
    120      13.3868      0.00000
    121      13.4228      0.00000
    122      13.4960      0.00000
    123      13.4986      0.00000
    124      13.5053      0.00000
    125      13.6273      0.00000
    126      13.6682      0.00000
    127      13.6690      0.00000
    128      13.6901      0.00000
    129      13.7812      0.00000
    130      13.7940      0.00000
    131      13.8204      0.00000
    132      13.8231      0.00000
    133      13.8342      0.00000
    134      13.8723      0.00000
    135      13.8997      0.00000
    136      14.0217      0.00000
    137      14.0634      0.00000
    138      14.1485      0.00000
    139      14.5644      0.00000
    140      14.6029      0.00000
    141      14.7169      0.00000
    142      14.7553      0.00000
    143      14.8727      0.00000
    144      14.9550      0.00000
    145      14.9575      0.00000
    146      15.0055      0.00000
    147      15.0963      0.00000
    148      15.1360      0.00000
    149      15.1946      0.00000
    150      15.2111      0.00000
    151      15.2215      0.00000
    152      15.2432      0.00000
    153      15.2528      0.00000
    154      15.3054      0.00000
    155      15.3322      0.00000
    156      15.9565      0.00000
    157      15.9663      0.00000
    158      16.0092      0.00000
    159      16.0973      0.00000
    160      16.1084      0.00000
    161      16.1929      0.00000
    162      16.2721      0.00000
    163      16.2869      0.00000
    164      16.2869      0.00000
    165      16.3263      0.00000
    166      16.3404      0.00000
    167      16.3542      0.00000
    168      16.3872      0.00000
    169      16.4330      0.00000
    170      16.5363      0.00000
    171      16.9291      0.00000
    172      17.3917      0.00000
    173      17.4335      0.00000
    174      17.4337      0.00000
    175      17.4745      0.00000
    176      17.5523      0.00000
    177      17.5831      0.00000
    178      17.6314      0.00000
    179      17.6447      0.00000
    180      17.6610      0.00000
    181      17.7968      0.00000
    182      17.8014      0.00000
    183      17.8591      0.00000
    184      17.8881      0.00000
    185      17.9035      0.00000
    186      17.9068      0.00000
    187      17.9387      0.00000
    188      17.9446      0.00000
    189      18.0120      0.00000
    190      18.1744      0.00000
    191      18.2585      0.00000
    192      18.3375      0.00000
    193      18.4872      0.00000
    194      18.5871      0.00000
    195      18.6543      0.00000
    196      18.6663      0.00000
    197      18.7184      0.00000
    198      18.8874      0.00000
    199      19.0359      0.00000
    200      19.3558      0.00000
    201      19.3622      0.00000
    202      19.4674      0.00000
    203      19.5435      0.00000
    204      19.5990      0.00000
    205      19.6927      0.00000
    206      19.6988      0.00000
    207      19.7064      0.00000
    208      19.7086      0.00000
    209      19.8173      0.00000
    210      19.8350      0.00000
    211      20.0230      0.00000
    212      20.0299      0.00000
    213      20.0990      0.00000
    214      20.1559      0.00000
    215      20.1970      0.00000
    216      20.1973      0.00000
    217      20.2169      0.00000
    218      20.2184      0.00000
    219      20.2187      0.00000
    220      20.2232      0.00000
    221      20.2363      0.00000
    222      20.2722      0.00000
    223      20.2859      0.00000
    224      20.3373      0.00000
    225      20.3844      0.00000
    226      20.4178      0.00000
    227      20.4184      0.00000
    228      20.4297      0.00000
    229      20.4336      0.00000
    230      20.4505      0.00000
    231      20.5627      0.00000
    232      20.7296      0.00000
    233      20.8089      0.00000
    234      20.9044      0.00000
    235      21.0351      0.00000
    236      21.1586      0.00000
    237      21.1642      0.00000
    238      21.2086      0.00000
    239      21.2568      0.00000
    240      21.2648      0.00000
    241      21.3430      0.00000
    242      21.3789      0.00000
    243      21.4043      0.00000
    244      21.4808      0.00000
    245      21.5588      0.00000
    246      21.6193      0.00000
    247      21.6598      0.00000
    248      21.6643      0.00000
    249      21.6822      0.00000
    250      21.6905      0.00000
    251      21.7170      0.00000
    252      21.9964      0.00000
    253      22.0675      0.00000
    254      22.1019      0.00000
    255      22.1405      0.00000
    256      22.1500      0.00000
    257      22.1518      0.00000
    258      22.1536      0.00000
    259      22.2172      0.00000
    260      22.3373      0.00000
    261      22.4589      0.00000
    262      22.8053      0.00000
    263      22.9691      0.00000
    264      22.9696      0.00000
    265      22.9922      0.00000
    266      23.0180      0.00000
    267      23.1683      0.00000
    268      23.3280      0.00000
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 The Fermi energy was updated, please check that it is located mid-gap
 values below the HOMO (VB) or above the LUMO (CB) will cause erroneous energies
 E-fermi :  -7.4672
 available memory per node:    6.18 GB, setting MAXMEM to    6323

 total amount of memory used by VASP MPI-rank0   275875. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :       5126. kBytes
   fftplans  :       3045. kBytes
   grid      :      17926. kBytes
   one-center:         21. kBytes
   HF        :        176. kBytes
   nonlr-proj:        172. kBytes
   wavefun   :     219409. kBytes
 
 Basis sets for responsefunctions:
 =================================
 use serial FFT for orbitals x direction half grid
 k-point   1 :   0.0000 0.0000 0.0000  plane waves:    9053

 maximum and minimum number of plane-waves per node :      9053     9053

 maximum number of plane-waves:      9053
 maximum index in each direction: 
   IXMAX=   15   IYMAX=   16   IZMAX=   17
   IXMIN=    0   IYMIN=  -16   IZMIN=  -17

 Response functions by GG contraction:
 ===============================================
   NOMEGA  =    14    number of frequencies
   OMEGAMAX=  30.00   maximum frequency
   OMEGAMIN=   3.66   minimum frequency
   OMEGATL = 833.40   maximum frequency of tail

 NOMEGAPAR set to 12 based on MAXMEM
 MEMORY estimate per rank in MB for (frequency):     1345.29
       1              8500.7              8095.9
 set NWRITE>2 for more details about minimax calculation
 quadrature errors minimized for energies in [ 0.366E+01, 0.833E+03 ]
 bosonic grid (re): 0.1048E-08
       0.7504       2.3902       4.4812       7.4450      11.9161
      18.9035      30.0667      48.1976      78.0952     128.2374
     214.3376     368.8001     677.5640    1546.0586
 fermionic grid (re): 0.1048E-08
       0.7504       2.3902       4.4812       7.4450      11.9161
      18.9035      30.0667      48.1976      78.0952     128.2374
     214.3376     368.8001     677.5640    1546.0586
 fermionic grid (im): 0.1056E-08
       1.5349       3.3562       5.8202       9.4389      15.0080
      23.8164      38.0090      61.2321      99.8306     165.2367
     279.5549     493.1581     973.8205    3197.3325
 time grid: 0.3852E-09
       0.0003       0.0015       0.0040       0.0082       0.0150
       0.0260       0.0437       0.0721       0.1174       0.1890
       0.3016       0.4786       0.7615       1.2440
  Transformation errors for each bosonic (re) grid point
      point          trafo. error
      0.75040952E+00 0.13214622E-06
      0.23902347E+01 0.30355514E-06
      0.44811773E+01 0.31249498E-06
      0.74450200E+01 0.23491786E-06
      0.11916055E+02 0.18867672E-06
      0.18903519E+02 0.14582058E-06
      0.30066718E+02 0.10725718E-06
      0.48197571E+02 0.78721749E-07
      0.78095238E+02 0.60414542E-07
      0.12823738E+03 0.47385996E-07
      0.21433764E+03 0.34499654E-07
      0.36880014E+03 0.13592619E-07
      0.67756396E+03 0.82467059E-08
      0.15460586E+04 0.52039125E-08
  Transformation errors for each bosonic (re) grid point
      point          trafo. error
      0.75040952E+00 0.49559589E-05
      0.23902347E+01 0.44556396E-05
      0.44811773E+01 0.35919144E-05
      0.74450200E+01 0.26299597E-05
      0.11916055E+02 0.19295933E-05
      0.18903519E+02 0.15513781E-05
      0.30066718E+02 0.13907178E-05
      0.48197571E+02 0.11135175E-05
      0.78095238E+02 0.84428025E-06
      0.12823738E+03 0.64710361E-06
      0.21433764E+03 0.51840849E-06
      0.36880014E+03 0.45260227E-06
      0.67756396E+03 0.38969215E-06
      0.15460586E+04 0.23895401E-06
  Transformation errors for each fermionic (re) grid point
      point          trafo. error
      0.75040952E+00 0.13214622E-06
      0.23902347E+01 0.30355514E-06
      0.44811773E+01 0.31249498E-06
      0.74450200E+01 0.23491786E-06
      0.11916055E+02 0.18867672E-06
      0.18903519E+02 0.14582058E-06
      0.30066718E+02 0.10725718E-06
      0.48197571E+02 0.78721749E-07
      0.78095238E+02 0.60414542E-07
      0.12823738E+03 0.47385996E-07
      0.21433764E+03 0.34499654E-07
      0.36880014E+03 0.13592619E-07
      0.67756396E+03 0.82467059E-08
      0.15460586E+04 0.52039125E-08
  Transformation errors for each fermionic (re) grid point
      point          trafo. error
      0.75040952E+00 0.49559589E-05
      0.23902347E+01 0.44556396E-05
      0.44811773E+01 0.35919144E-05
      0.74450200E+01 0.26299597E-05
      0.11916055E+02 0.19295933E-05
      0.18903519E+02 0.15513781E-05
      0.30066718E+02 0.13907178E-05
      0.48197571E+02 0.11135175E-05
      0.78095238E+02 0.84428025E-06
      0.12823738E+03 0.64710361E-06
      0.21433764E+03 0.51840849E-06
      0.36880014E+03 0.45260227E-06
      0.67756396E+03 0.38969215E-06
      0.15460586E+04 0.23895401E-06
  Transformation errors for each bosonic (im) grid point
      point          trafo. error
      0.15349396E+01 0.23758279E-06
      0.33562407E+01 0.32372473E-06
      0.58201707E+01 0.27670341E-06
      0.94389058E+01 0.21060617E-06
      0.15008000E+02 0.16996967E-06
      0.23816396E+02 0.12551534E-06
      0.38008966E+02 0.92458557E-07
      0.61232144E+02 0.67677751E-07
      0.99830556E+02 0.51087700E-07
      0.16523674E+03 0.40592550E-07
      0.27955491E+03 0.20966258E-07
      0.49315809E+03 0.95543843E-08
      0.97382048E+03 0.89470421E-08
      0.31973325E+04 0.17695320E-08
  Transformation errors for each bosonic (im) grid point
      point          trafo. error
      0.15349396E+01 0.47670746E-05
      0.33562407E+01 0.40359366E-05
      0.58201707E+01 0.31007437E-05
      0.94389058E+01 0.22197374E-05
      0.15008000E+02 0.16493403E-05
      0.23816396E+02 0.14857256E-05
      0.38008966E+02 0.12654759E-05
      0.61232144E+02 0.96196502E-06
      0.99830556E+02 0.73687631E-06
      0.16523674E+03 0.57349894E-06
      0.27955491E+03 0.47623982E-06
      0.49315809E+03 0.43012924E-06
      0.97382048E+03 0.32716228E-06
      0.31973325E+04 0.12706367E-06

 Distributing  14 bosonic points into 12 group(s)
 Group:  1 has  8 cores and  2 bosonic point(s)
 Group:  2 has  8 cores and  2 bosonic point(s)
 Group:  3 has  8 cores and  1 bosonic point(s)
 Group:  4 has  8 cores and  1 bosonic point(s)
 Group:  5 has  8 cores and  1 bosonic point(s)
 Group:  6 has  8 cores and  1 bosonic point(s)
 Group:  7 has  8 cores and  1 bosonic point(s)
 Group:  8 has  8 cores and  1 bosonic point(s)
 Group:  9 has  8 cores and  1 bosonic point(s)
 Group: 10 has  8 cores and  1 bosonic point(s)
 Group: 11 has  8 cores and  1 bosonic point(s)
 Group: 12 has  8 cores and  1 bosonic point(s)
 

 Distributing  14 time points into  1 group(s)
 Group:  1 has 96 cores and 14 time point(s)
 

 FFT grid for supercell:   NGX =  70; NGY =  70; NGZ =  80
 =======================

 use serial FFT for orbitals x direction half grid
 k-point   1 :   0.0000 0.0000 0.0000  plane waves:   25595

 maximum and minimum number of plane-waves per node :     25595    25595

 maximum number of plane-waves:     25595
 maximum index in each direction: 
   IXMAX=   21   IYMAX=   23   IZMAX=   24
   IXMIN=    0   IYMIN=  -23   IZMIN=  -24

 
 Basis sets for responsefunction in the supercell:
 =================================================
 use serial FFT for orbitals x direction half grid
 k-point   1 :   0.0000 0.0000 0.0000  plane waves:    9053

 maximum and minimum number of plane-waves per node :      9053     9053

 maximum number of plane-waves:      9053
 maximum index in each direction: 
   IXMAX=   15   IYMAX=   16   IZMAX=   17
   IXMIN=    0   IYMIN=  -16   IZMIN=  -17

 -----------------------------------------------------------------------------
|                                                                             |
|           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   !!!           |
|                                                                             |
|     This job will probably crash, due to insufficient memory available.     |
|     Available memory per mpi rank: 6323 MB, required memory: 8502 MB.       |
|     Reducing NTAUPAR or using more computing nodes might solve this         |
|     problem.                                                                |
|                                                                             |
 -----------------------------------------------------------------------------


 estimated memory requirement per rank   8502.3 MB, per node 408109.3 MB

 all response functions allocated

 memory high mark on MPI-rank0 inside Response functions allocated   969690. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :       5126. kBytes
   fftplans  :       3045. kBytes
   grid      :      17926. kBytes
   one-center:         21. kBytes
   HF        :        528. kBytes
   nonlr-proj:        516. kBytes
   wavefun   :     219409. kBytes
   response  :     693119. kBytes
 

 Bands included as occupied valence bands
 VB(min)=    1  VB(max)=   96

     *gocc:  cpu time      0.3237: real time      0.3245

 Bands included as un-occupied conduction bands
 CB(min)=    1  CB(max)=51264

   *gunocc:  cpu time    112.8109: real time    113.0471
    GREENS:  cpu time    113.4763: real time    113.7139

 memory high mark on MPI-rank0 inside CHI_TAU_FROM_G  5512409. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :       5126. kBytes
   fftplans  :       3045. kBytes
   grid      :      17926. kBytes
   one-center:         21. kBytes
   HF        :        528. kBytes
   nonlr-proj:        516. kBytes
   wavefun   :     219409. kBytes
   response  :     693119. kBytes
   Greensfun :    3939486. kBytes
   GGwork    :     603233. kBytes
 

 memory high mark on MPI-rank0 inside CHI_TAU_FROM_G  2624151. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :       5126. kBytes
   fftplans  :       3045. kBytes
   grid      :      17926. kBytes
   one-center:         21. kBytes
   HF        :        528. kBytes
   nonlr-proj:        516. kBytes
   wavefun   :     219409. kBytes
   response  :     693119. kBytes
   Greensfun :     455236. kBytes
   GGwork    :    1199225. kBytes
 
  *chi_tau:  cpu time    141.4207: real time    141.7098
  *cos_tra:  cpu time    142.6987: real time    142.9909
       CHI:  cpu time      1.2779: real time      1.2811
    GREENS:  cpu time    113.3260: real time    113.6039
       CHI:  cpu time      1.2792: real time      1.2821
    GREENS:  cpu time    113.5350: real time    113.7748
       CHI:  cpu time      1.2748: real time      1.2777
    GREENS:  cpu time    113.1102: real time    113.3873
       CHI:  cpu time      1.2822: real time      1.2855
    GREENS:  cpu time    113.4296: real time    113.6798
       CHI:  cpu time      1.2624: real time      1.2655
    GREENS:  cpu time    113.3697: real time    113.6486
       CHI:  cpu time      1.2690: real time      1.2724
    GREENS:  cpu time    113.4107: real time    113.6895
       CHI:  cpu time      1.2620: real time      1.2653
    GREENS:  cpu time     90.2964: real time     90.5199
       CHI:  cpu time      1.2857: real time      1.2887
    GREENS:  cpu time     43.4430: real time     43.5364
       CHI:  cpu time      1.2903: real time      1.2932
    GREENS:  cpu time     21.5088: real time     21.5561
       CHI:  cpu time      1.2706: real time      1.2735
    GREENS:  cpu time     10.9413: real time     10.9659
       CHI:  cpu time      1.2414: real time      1.2443
    GREENS:  cpu time      5.6434: real time      5.6551
       CHI:  cpu time      1.2476: real time      1.2509
    GREENS:  cpu time      3.0884: real time      3.0956
       CHI:  cpu time      1.2399: real time      1.2430
    GREENS:  cpu time      1.8308: real time      1.8353
       CHI:  cpu time      1.2484: real time      1.2512
      HEAD:  cpu time     57.8714: real time     58.0096

 HEAD OF MICROSCOPIC DIELECTRIC TENSOR (INDEPENDENT PARTICLE)
 -------------------------------------
 w=     0.000     0.750
         1.0161    0.0000     -0.0000    0.0000      0.0000    0.0000
        -0.0000    0.0000      1.0161    0.0000      0.0000    0.0000
         0.0000    0.0000      0.0000    0.0000      1.0505    0.0000

        0.750         1.028     0.000 dielectric  constant
 
 w=     0.000     2.390
         1.0159    0.0000     -0.0000    0.0000      0.0000    0.0000
        -0.0000    0.0000      1.0159    0.0000      0.0000    0.0000
         0.0000    0.0000      0.0000    0.0000      1.0483    0.0000

        2.390         1.027     0.000 dielectric  constant
 
 w=     0.000     4.481
         1.0154    0.0000     -0.0000    0.0000      0.0000    0.0000
        -0.0000    0.0000      1.0154    0.0000      0.0000    0.0000
         0.0000    0.0000      0.0000    0.0000      1.0432    0.0000

        4.481         1.025     0.000 dielectric  constant
 
 w=     0.000     7.445
         1.0143    0.0000     -0.0000    0.0000      0.0000    0.0000
        -0.0000    0.0000      1.0143    0.0000      0.0000    0.0000
         0.0000    0.0000      0.0000    0.0000      1.0347    0.0000

        7.445         1.021     0.000 dielectric  constant
 
 w=     0.000    11.916
         1.0124    0.0000     -0.0000    0.0000      0.0000    0.0000
        -0.0000    0.0000      1.0124    0.0000      0.0000    0.0000
         0.0000    0.0000      0.0000    0.0000      1.0243    0.0000

       11.916         1.016     0.000 dielectric  constant
 
 w=     0.000    18.904
         1.0096    0.0000     -0.0000    0.0000      0.0000    0.0000
        -0.0000    0.0000      1.0096    0.0000     -0.0000    0.0000
         0.0000    0.0000     -0.0000    0.0000      1.0151    0.0000

       18.904         1.011     0.000 dielectric  constant
 
 w=     0.000    30.067
         1.0066    0.0000     -0.0000    0.0000      0.0000    0.0000
        -0.0000    0.0000      1.0066    0.0000     -0.0000    0.0000
         0.0000    0.0000     -0.0000    0.0000      1.0085    0.0000

       30.067         1.007     0.000 dielectric  constant
 
 w=     0.000    48.198
         1.0039    0.0000     -0.0000    0.0000      0.0000    0.0000
        -0.0000    0.0000      1.0039    0.0000     -0.0000    0.0000
         0.0000    0.0000     -0.0000    0.0000      1.0044    0.0000

       48.198         1.004     0.000 dielectric  constant
 
 w=     0.000    78.095
         1.0020    0.0000     -0.0000    0.0000      0.0000    0.0000
        -0.0000    0.0000      1.0020    0.0000     -0.0000    0.0000
         0.0000    0.0000     -0.0000    0.0000      1.0021    0.0000

       78.095         1.002     0.000 dielectric  constant
 
 w=     0.000   128.237
         1.0009    0.0000     -0.0000    0.0000     -0.0000    0.0000
        -0.0000    0.0000      1.0009    0.0000     -0.0000    0.0000
        -0.0000    0.0000     -0.0000    0.0000      1.0009    0.0000

      128.237         1.001     0.000 dielectric  constant
 
 w=     0.000   214.338
         1.0004    0.0000     -0.0000    0.0000     -0.0000    0.0000
        -0.0000    0.0000      1.0004    0.0000     -0.0000    0.0000
        -0.0000    0.0000     -0.0000    0.0000      1.0004    0.0000

      214.338         1.000     0.000 dielectric  constant
 
 w=     0.000   368.800
         1.0001    0.0000     -0.0000    0.0000     -0.0000    0.0000
        -0.0000    0.0000      1.0001    0.0000     -0.0000    0.0000
        -0.0000    0.0000     -0.0000    0.0000      1.0001    0.0000

      368.800         1.000     0.000 dielectric  constant
 
 w=     0.000   677.564
         1.0000    0.0000     -0.0000    0.0000     -0.0000    0.0000
        -0.0000    0.0000      1.0000    0.0000     -0.0000    0.0000
        -0.0000    0.0000     -0.0000    0.0000      1.0000    0.0000

      677.564         1.000     0.000 dielectric  constant
 
 w=     0.000  1546.059
         1.0000    0.0000     -0.0000    0.0000     -0.0000    0.0000
        -0.0000    0.0000      1.0000    0.0000     -0.0000    0.0000
        -0.0000    0.0000     -0.0000    0.0000      1.0000    0.0000

     1546.059         1.000     0.000 dielectric  constant
 
     ACFDT:  cpu time    434.7993: real time    435.8737
 q-point correlation energy     -21.699583      0.000000
 Hartree contr. to MP2          -34.185790      0.000000
      cutoff energy     smooth cutoff   RPA   correlation   Hartree contr. to MP2
---------------------------------------------------------------------------------
            400.000           320.000      -21.6995831113      -34.1857900127
            380.952           304.762      -21.4556243444      -33.8859350152
            362.812           290.249      -21.1964088949      -33.5633041239
            345.535           276.428      -20.9217547774      -33.2170693008
            329.081           263.265      -20.6319819239      -32.8469798333
            313.411           250.728      -20.3269014597      -32.4520728058
            298.486           238.789      -20.0072498254      -32.0328205127
            284.273           227.418      -19.6726929838      -31.5879898820
  linear regression    
  converged value                          -24.7132822973      -38.0655985635
    EDDIAG:  cpu time      4.8360: real time      4.8362

 Energies using frozen KS orbitals
 Hartree-Fock free energy of the ion-electron system (eV)
  -----------------------------------------------------
  alpha Z             PSCENC =         0.57816564
  Ewald energy        TEWEN  =       102.68901332
  -Hartree energy     DENC   =     -1251.60782378
  -exchange           EXHF   =       228.19346097
  -V(xc)+E(xc)        XCENC  =         0.00000000
  PAW double counting        =      1183.48959561    -1183.51889921
  entropy T*S         EENTRO =        -0.00000000
  eigenvalues         EBANDS =      -380.18104725
  atomic energy       EATOM  =      1283.12853784
  -----------------------------------------------------
  HF-free energy      FHF    =       -17.22899687 eV
  HF+RPA corr. energy TOTEN  =       -38.92857998 eV
  HF+E_corr(extrapolated)    =       -41.94227917 eV
  ACFDT corr.    EXHF_ACFDT  =         0.00000000 eV (see jH, gK, PRB 81, 115126)

    --------------------------------------------
   GWTOTAL:  cpu time   5353.8100: real time   5365.6894
    4ORBIT:  cpu time      0.0000: real time      0.0000

 total amount of memory used by VASP MPI-rank0  1131979. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :       5126. kBytes
   fftplans  :       3045. kBytes
   grid      :      17926. kBytes
   one-center:         21. kBytes
   HF        :        528. kBytes
   nonlr-proj:        516. kBytes
   wavefun   :     219409. kBytes
   response  :          0. kBytes
   Greensfun :          0. kBytes
   GGwork    :          0. kBytes
   fock_wrk  :     855408. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):     5358.519
                            User time (sec):     5298.610
                          System time (sec):       59.908
                         Elapsed time (sec):     5370.726
  
                   Maximum memory used (kb):     7276340.
                   Average memory used (kb):          N/A
  
                          Minor page faults:       905682
                          Major page faults:            0
                 Voluntary context switches:        37286
