 vasp.5.2.2 15Apr09 complex 
 executed on             LinuxIFC date 2013.08.21  16:10:48
 running on    1 nodes
 distr:  one band on    1 nodes,    1 groups


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


 INCAR:
 POTCAR:   PAW_GGA Al 05Jan2001                   
 POTCAR:   PAW_GGA Al 05Jan2001                   
   VRHFIN =Al: s2p1                                                             
   LEXCH  = 91                                                                  
   EATOM  =    53.6910 eV,    3.9462 Ry                                         
                                                                                
   TITEL  = PAW_GGA Al 05Jan2001                                                
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    1.500    partial core radius                                     
   POMASS =   26.982; ZVAL   =    3.000    mass and valenz                      
   RCORE  =    1.900    outmost cutoff radius                                   
   RWIGS  =    2.650; RWIGS  =    1.402    wigner-seitz radius (au A)           
   ENMAX  =  240.437; ENMIN  =  180.327 eV                                      
   ICORE  =        2    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  291.052                                                            
   DEXC   =    -.017                                                            
   RMAX   =    2.974    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.966    core radius for depl-charge                             
   QCUT   =   -4.204; QGAM   =    8.408    optimization parameters              
                                                                                
   Description                                                                  
     l     E      TYP  RCUT    TYP  RCUT                                        
     0   .000     23  1.900                                                     
     0   .000     23  1.900                                                     
     1   .000     23  1.900                                                     
     1  1.000     23  1.900                                                     
     2   .000      7  1.900                                                     
  local pseudopotential read in
  partial core-charges read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8
 
 PAW_GGA Al 05Jan2001                   :
 energy of atom  1       EATOM=  -53.6910
 kinetic energy error for atom=    0.0006 (will be added to EATOM!!)
 
 
 POSCAR: Al4                                     
  positions in direct lattice
  No initial velocities read in
 exchange correlation table for  LEXCH =        7
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000

 VTST: version 2.03d, (02/18/09)

 CHAIN: initializing optimizer
 
 OPT: Using VASP Dynamics algorithm
 CHAIN: Read ICHAIN            0
 


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


 ion  position               nearest neighbor table
   1  0.000  0.000  0.000-   2 2.89   3 2.89   4 2.89   3 2.89   4 2.89   2 2.89   3 2.89   3 2.89
                             2 2.89   4 2.89   4 2.89   2 2.89
   2  0.500  0.500  0.000-   1 2.89   3 2.89   4 2.89   3 2.89   4 2.89   1 2.89   4 2.89   4 2.89
                             1 2.89   3 2.89   3 2.89   1 2.89
   3  0.000  0.500  0.500-   1 2.89   2 2.89   4 2.89   1 2.89   2 2.89   1 2.89   4 2.89   1 2.89
                             2 2.89   4 2.89   2 2.89   4 2.89
   4  0.500  0.000  0.500-   1 2.89   2 2.89   3 2.89   1 2.89   2 2.89   2 2.89   3 2.89   2 2.89
                             1 2.89   3 2.89   1 2.89   3 2.89
 
  LATTYP: Found a simple cubic cell.
 ALAT       =     4.0870780000
  
  Lattice vectors:
  
 A1 = (   4.0870780000,   0.0000000000,   0.0000000000)
 A2 = (   0.0000000000,   4.0870780000,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   4.0870780000)
 Subroutine PRICEL returns following result:
 
  LATTYP: Found a face centered cubic cell.
 ALAT       =     4.0870780000
  
  Lattice vectors:
  
 A1 = (   2.0435390000,   2.0435390000,   0.0000000000)
 A2 = (   2.0435390000,   0.0000000000,  -2.0435390000)
 A3 = (   0.0000000000,   2.0435390000,  -2.0435390000)
 
   4 primitive cells build up your supercell.
 

Analysis of symmetry for initial positions (statically):

 Routine SETGRP: Setting up the symmetry group for a 
 simple cubic supercell.


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


The static configuration has the point symmetry O_h .

Analysis of symmetry for dynamics (positions and initial velocities):

 Subroutine DYNSYM returns: Found 48 space group operations
 (whereof 48 operations were pure point group operations)
 out of a pool of 48 trial space group operations
 (whereof 48 operations were pure point group operations)
 and found also     4 'primitive' translations


The dynamic configuration has the point symmetry O_h .

Analysis of constrained symmetry for selective dynamics:

 Subroutine DYNSYM returns: Found 48 space group operations
 (whereof 48 operations were pure point group operations)
 out of a pool of 48 trial space group operations
 (whereof 48 operations were pure point group operations)
 and found also     4 'primitive' translations


The constrained configuration has the point symmetry O_h .
 
 
 KPOINTS: Automatic kpoint scheme                 

Automatic generation of k-mesh.
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found      1 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.250000  0.250000  0.250000      8.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.061168  0.061168  0.061168      8.000000
 
 
 Subroutine IBZKPT_HF returns following result:
 ==============================================
 
 Found      8 k-points in 1st BZ
 the following      8 k-points will be used (e.g. in the exchange kernel)
 Following reciprocal coordinates:   # in IRBZ
  0.250000  0.250000  0.250000       1
 -0.250000 -0.250000 -0.250000       1
 -0.250000  0.250000  0.250000       1
  0.250000 -0.250000 -0.250000       1
 -0.250000 -0.250000  0.250000       1
  0.250000  0.250000 -0.250000       1
  0.250000 -0.250000  0.250000       1
 -0.250000  0.250000 -0.250000       1


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




 Dimension of arrays:
   k-points           NKPTS =      1   k-points in BZ     NKDIM =      1   number of bands    NBANDS=     10
   number of dos      NEDOS =    301   number of ions     NIONS =      4
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV =  21952
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  12712
   dimension x,y,z NGX =    28 NGY =   28 NGZ =   28
   dimension x,y,z NGXF=    56 NGYF=   56 NGZF=   56
   support grid    NGXF=    56 NGYF=   56 NGZF=   56
   ions per type =               4
 NGX,Y,Z   is equivalent  to a cutoff of  11.39, 11.39, 11.39 a.u.
 NGXF,Y,Z  is equivalent  to a cutoff of  22.78, 22.78, 22.78 a.u.


 I would recommend the setting:
   dimension x,y,z NGX =    25 NGY =   25 NGZ =   25
 SYSTEM =  unknown system                          
 POSCAR =  Al4                                     

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = accura    medium, high low
   ISTART =      1    job   : 0-new  1-cont  2-samecut
   ICHARG =      1    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  =      F    aspherical Exc in radial PAW
   METAGGA=      F    non-selfconsistent MetaGGA calc.

 Electronic Relaxation 1
   ENCUT  =  360.7 eV  26.51 Ry    5.15 a.u.   6.33  6.33  6.33*2*pi/ulx,y,z
   ENINI  =  360.7     initial cutoff
   ENAUG  =  291.1 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  2; NELMDL=  0     # of ELM steps 
   EDIFF  = 0.1E-05   stopping-criterion for ELM
   LREAL  =      F    real-space projection
   LCOMPAT=      F    compatible to vasp.4.4
   LREAL_COMPAT= F    compatible to vasp.4.5.1-3
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =    0.00000
 Ionic relaxation
   EDIFFG = 0.1E-04   stopping-criterion for IOM
   NSW    =     85    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      1    inner block; outer block 
   IBRION =      5    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      2    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      2    stress and relaxation
   IWAVPR =     11    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.0100    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps =****** mass=  -0.382E-27a.u.
   NPACO  =    256;   APACO  = 16.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS =  26.98
  Ionic Valenz
   ZVAL   =   3.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00
   NELECT =      12.0000    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 =     1;   SIGMA  =   0.20  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     38    algorithm
   LDIAG  =      T    sub-space diagonalisation
   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

 Intra band minimization:
   WEIMIN = 0.0010     energy-eigenvalue tresh-hold
   EBREAK =  0.25E-07  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      17.07       115.18
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.917041  1.732957 11.442025  0.840965
  Thomas-Fermi vector in A             =   2.041965
 
 Write flags
   LWAVE  =      F    write WAVECAR
   LCHARG =      F    write CHGCAR
   LVTOT  =      F    write LOCPOT, local potential
   LELF   =      F    write electronic localiz. function (ELF)
   LORBIT =      0    0 simple, 1 ext, 2 COOP (PROOUT)


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

 Exchange correlation treatment:
   GGA     =    --    GGA type
   LEXCH   =     7    internal setting for exchange type
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   LHFCALC =     F    Hartree Fock is set to
   LHFONE  =     F    Hartree Fock one center treatment
   AEXX    =    0.0000 exact exchange contribution

 Linear response parameters
   LEPSILON=     F    determine dielectric tensor
   LRPA    =     F    only Hartree local field effects (RPA)
   LNABLA  =     F    use nabla operator in PAW spheres
   LVEL    =     F    velocity operator in full k-point grid
   LINTERFAST=   F  fast interpolation
   KINTER  =     0    interpolate to denser k-point grid
   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
   OMEGAMAX=  -1.0    maximum frequency

 Orbital magnetization related:
   ORBITALMAG=     F  switch on orbital magnetization
   LCHIMAG   =     F  perturbation theory with respect to B field



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


 finite differences
   using selective dynamics as specified on POSCAR
 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            4
 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)
 Methfessel and Paxton  Order N= 1 SIGMA  =   0.20


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


  energy-cutoff  :      360.66
  volume of cell :       68.27
      direct lattice vectors                 reciprocal lattice vectors
     4.087078000  0.000000000  0.000000000     0.244673579  0.000000000  0.000000000
     0.000000000  4.087078000  0.000000000     0.000000000  0.244673579  0.000000000
     0.000000000  0.000000000  4.087078000     0.000000000  0.000000000  0.244673579

  length of vectors
     4.087078000  4.087078000  4.087078000     0.244673579  0.244673579  0.244673579


 
 old parameters found on file WAVECAR:
  energy-cutoff  :      300.55
  volume of cell :       68.27
      direct lattice vectors                 reciprocal lattice vectors
     4.087077575  0.000000000  0.000000000     0.244673604  0.000000000  0.000000000
     0.000000000  4.087077575  0.000000000     0.000000000  0.244673604  0.000000000
     0.000000000  0.000000000  4.087077575     0.000000000  0.000000000  0.244673604

  length of vectors

 
 k-points in units of 2pi/SCALE and weight: Automatic kpoint scheme                 
   0.06116839  0.06116839  0.06116839       1.000
 
 k-points in reciprocal lattice and weights: Automatic kpoint scheme                 
   0.25000000  0.25000000  0.25000000       1.000
 
 position of ions in fractional coordinates (direct lattice) 
   0.00000000  0.00000000  0.00000000
   0.50000000  0.50000000  0.00000000
   0.00000000  0.50000000  0.50000000
   0.50000000  0.00000000  0.50000000
 
 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  0.00000000
   2.04353900  2.04353900  0.00000000
   0.00000000  2.04353900  2.04353900
   2.04353900  0.00000000  2.04353900
 


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


 k-point  1 :  0.25000.25000.2500  plane waves:    1060

 maximum and minimum number of plane-waves per node :    1060   1060

 maximum number of plane-waves:    1060
 maximal index in each direction: 
   IXMAX=  6   IYMAX=  6   IZMAX=  6
   IXMIN= -6   IYMIN= -6   IZMIN= -6

 NGX is ok and might be reduce to  26
 NGY is ok and might be reduce to  26
 NGZ is ok and might be reduce to  26

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


 total amount of memory used by VASP on root node  46033. kBytes
========================================================================

   base      :    30000. kBytes
   nonl-proj :      135. kBytes
   fftplans  :     6192. kBytes
   grid      :     9520. kBytes
   one-center:       12. kBytes
   wavefun   :      174. kBytes
 
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 13   NGY = 13   NGZ = 13
  (NGX  = 56   NGY  = 56   NGZ  = 56)
  gives a total of   2197 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron   12.0000000 magnetization 
 keeping initial charge density in first step


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


 Maximum index for augmentation-charges        12149 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.434
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

    FEWALD:  cpu time    0.02: real time    0.00
   RESPFUN:  cpu time    0.00: real time    0.00


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


    POTLOK:  cpu time    0.50: real time    0.42
    SETDIJ:  cpu time    0.02: real time    0.02
     EDDAV:  cpu time    0.50: real time    0.14
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    0.16: real time    0.06
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time    1.20: real time    0.66

 eigenvalue-minimisations  :    20
 total energy-change (2. order) :-0.1410821E+02  (-0.1566411E-01)
 number of electron   11.9999999 magnetization 
 augmentation part    -0.1641337 magnetization 

 Broyden mixing:
  rms(total) = 0.17340E+00    rms(broyden)= 0.17340E+00
  rms(prec ) = 0.40172E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.59676569
  Ewald energy   TEWEN  =      -290.76486860
  -1/2 Hartree   DENC   =        -0.46831921
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -105.81201312
  PAW double counting   =       142.63640024      -14.42330091
  entropy T*S    EENTRO =        -0.14934360
  eigenvalues    EBANDS =        40.70846466
  atomic energy  EATOM  =       214.76153871
  ---------------------------------------------------
  free energy    TOTEN  =       -14.10820752 eV

  energy without entropy =      -13.95886392  energy(sigma->0) =      -14.05842632


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




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


    POTLOK:  cpu time    0.41: real time    0.42
    SETDIJ:  cpu time    0.02: real time    0.02
     EDDAV:  cpu time    0.50: real time    0.14
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    0.16: real time    0.06
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time    1.11: real time    0.65

 eigenvalue-minimisations  :    20
 total energy-change (2. order) : 0.4329794E-01  (-0.6584654E-03)
 number of electron   11.9999999 magnetization 
 augmentation part    -0.1663753 magnetization 

 Broyden mixing:
  rms(total) = 0.10799E+00    rms(broyden)= 0.10799E+00
  rms(prec ) = 0.25162E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.6411
  2.6411

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.59676569
  Ewald energy   TEWEN  =      -290.76486860
  -1/2 Hartree   DENC   =        -0.38283646
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -105.68150365
  PAW double counting   =       142.69110479      -14.49537097
  entropy T*S    EENTRO =        -0.14934360
  eigenvalues    EBANDS =        40.55313591
  atomic energy  EATOM  =       214.76153871
  ---------------------------------------------------
  free energy    TOTEN  =       -14.06490957 eV

  energy without entropy =      -13.91556597  energy(sigma->0) =      -14.01512837


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




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


    POTLOK:  cpu time    0.41: real time    0.42
    SETDIJ:  cpu time    0.02: real time    0.02
     EDDAV:  cpu time    0.49: real time    0.14
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    0.16: real time    0.06
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time    1.11: real time    0.66

 eigenvalue-minimisations  :    20
 total energy-change (2. order) : 0.3010214E-01  (-0.1751355E-02)
 number of electron   11.9999999 magnetization 
 augmentation part    -0.1702912 magnetization 

 Broyden mixing:
  rms(total) = 0.50037E-02    rms(broyden)= 0.50034E-02
  rms(prec ) = 0.87360E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.6737
  2.5718  2.7756

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.59676569
  Ewald energy   TEWEN  =      -290.76486860
  -1/2 Hartree   DENC   =        -0.39702849
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -105.41758532
  PAW double counting   =       142.78329691      -14.62051865
  entropy T*S    EENTRO =        -0.14934360
  eigenvalues    EBANDS =        40.36646729
  atomic energy  EATOM  =       214.76153871
  ---------------------------------------------------
  free energy    TOTEN  =       -14.03480744 eV

  energy without entropy =      -13.88546384  energy(sigma->0) =      -13.98502624


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




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


    POTLOK:  cpu time    0.44: real time    0.42
    SETDIJ:  cpu time    0.02: real time    0.02
     EDDAV:  cpu time    0.49: real time    0.14
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    0.16: real time    0.06
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time    1.14: real time    0.65

 eigenvalue-minimisations  :    20
 total energy-change (2. order) :-0.4236408E-04  (-0.1813977E-04)
 number of electron   11.9999999 magnetization 
 augmentation part    -0.1705645 magnetization 

 Broyden mixing:
  rms(total) = 0.96884E-03    rms(broyden)= 0.96882E-03
  rms(prec ) = 0.19356E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.1097
  1.0221  2.5498  2.7573

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.59676569
  Ewald energy   TEWEN  =      -290.76486860
  -1/2 Hartree   DENC   =        -0.40589803
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -105.41025443
  PAW double counting   =       142.88313222      -14.72591648
  entropy T*S    EENTRO =        -0.14934360
  eigenvalues    EBANDS =        40.37352610
  atomic energy  EATOM  =       214.76153871
  ---------------------------------------------------
  free energy    TOTEN  =       -14.03484980 eV

  energy without entropy =      -13.88550620  energy(sigma->0) =      -13.98506860


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




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


    POTLOK:  cpu time    0.47: real time    0.42
    SETDIJ:  cpu time    0.02: real time    0.02
     EDDAV:  cpu time    0.81: real time    0.22
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    0.16: real time    0.06
    MIXING:  cpu time    0.02: real time    0.01
    --------------------------------------------
      LOOP:  cpu time    1.49: real time    0.73

 eigenvalue-minimisations  :    36
 total energy-change (2. order) :-0.5831623E-05  (-0.2669245E-06)
 number of electron   11.9999999 magnetization 
 augmentation part    -0.1706377 magnetization 

 Broyden mixing:
  rms(total) = 0.20175E-03    rms(broyden)= 0.20175E-03
  rms(prec ) = 0.33825E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.2039
  0.9890  2.7225  2.7225  2.3815

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.59676569
  Ewald energy   TEWEN  =      -290.76486860
  -1/2 Hartree   DENC   =        -0.40831763
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -105.40849443
  PAW double counting   =       142.89697244      -14.74082660
  entropy T*S    EENTRO =        -0.14934360
  eigenvalues    EBANDS =        40.37524976
  atomic energy  EATOM  =       214.76153871
  ---------------------------------------------------
  free energy    TOTEN  =       -14.03485563 eV

  energy without entropy =      -13.88551203  energy(sigma->0) =      -13.98507443


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




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


    POTLOK:  cpu time    0.50: real time    0.42
    SETDIJ:  cpu time    0.02: real time    0.02
     EDDAV:  cpu time    0.46: real time    0.13
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    0.16: real time    0.06
    MIXING:  cpu time    0.02: real time    0.01
    --------------------------------------------
      LOOP:  cpu time    1.18: real time    0.64

 eigenvalue-minimisations  :    18
 total energy-change (2. order) : 0.1444276E-05  (-0.3449556E-08)
 number of electron   11.9999999 magnetization 
 augmentation part    -0.1706295 magnetization 

 Broyden mixing:
  rms(total) = 0.41720E-04    rms(broyden)= 0.41719E-04
  rms(prec ) = 0.91700E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9992
  2.7468  2.7468  2.5245  0.9890  0.9890

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.59676569
  Ewald energy   TEWEN  =      -290.76486860
  -1/2 Hartree   DENC   =        -0.40829767
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -105.40891613
  PAW double counting   =       142.88034893      -14.72366191
  entropy T*S    EENTRO =        -0.14934360
  eigenvalues    EBANDS =        40.37511178
  atomic energy  EATOM  =       214.76153871
  ---------------------------------------------------
  free energy    TOTEN  =       -14.03485419 eV

  energy without entropy =      -13.88551059  energy(sigma->0) =      -13.98507299


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




----------------------------------------- Iteration    1(   7)  ---------------------------------------


    POTLOK:  cpu time    0.50: real time    0.42
    SETDIJ:  cpu time    0.02: real time    0.02
     EDDAV:  cpu time    0.31: real time    0.09
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    0.85: real time    0.53

 eigenvalue-minimisations  :    10
 total energy-change (2. order) : 0.7013142E-07  (-0.1886997E-09)
 number of electron   11.9999999 magnetization 
 augmentation part    -0.1706295 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.59676569
  Ewald energy   TEWEN  =      -290.76486860
  -1/2 Hartree   DENC   =        -0.40835817
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -105.40881500
  PAW double counting   =       142.87987349      -14.72318420
  entropy T*S    EENTRO =        -0.14934360
  eigenvalues    EBANDS =        40.37506895
  atomic energy  EATOM  =       214.76153871
  ---------------------------------------------------
  free energy    TOTEN  =       -14.03485412 eV

  energy without entropy =      -13.88551052  energy(sigma->0) =      -13.98507292


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




 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -72.5928       2 -72.5928       3 -72.5928       4 -72.5928
 
 
 
 E-fermi :   6.9192     XC(G=0): -10.0850     alpha+bet :-14.3775
   add alpha+bet to get absolut eigen values

 k-point   1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation 
      1      -1.6235      2.00000
      2       2.6844      2.00000
      3       2.6844      2.00000
      4       2.6844      2.00000
      5       6.8790      1.33333
      6       6.8790      1.33333
      7       6.8790      1.33333
      8      10.9838      0.00000
      9      11.1844      0.00000
     10      11.1844      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
  8.554  -0.005   0.000   0.000   0.000   0.000   0.000   0.000
 -0.005   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   2.014   0.000   0.000  -0.026   0.000   0.000
  0.000   0.000   0.000   2.014   0.000   0.000  -0.026   0.000
  0.000   0.000   0.000   0.000   2.014   0.000   0.000  -0.026
  0.000   0.000  -0.026   0.000   0.000  -0.012   0.000   0.000
  0.000   0.000   0.000  -0.026   0.000   0.000  -0.012   0.000
  0.000   0.000   0.000   0.000  -0.026   0.000   0.000  -0.012
 total augmentation occupancy for first ion, spin component:           1
  1.374  -0.423   0.000   0.000   0.000   0.000   0.000   0.000
 -0.423   0.452   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.697   0.000   0.000  -0.145   0.000   0.000
  0.000   0.000   0.000   0.697   0.000   0.000  -0.145   0.000
  0.000   0.000   0.000   0.000   0.697   0.000   0.000  -0.145
  0.000   0.000  -0.145   0.000   0.000   0.036   0.000   0.000
  0.000   0.000   0.000  -0.145   0.000   0.000   0.036   0.000
  0.000   0.000   0.000   0.000  -0.145   0.000   0.000   0.036


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




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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -14.034854 eV

  energy  without entropy=      -13.885511  energy(sigma->0) =      -13.985073
 
    CHARGE:  cpu time    0.11: real time    0.06
    FORLOC:  cpu time    0.03: real time    0.03
    FORNL :  cpu time    0.09: real time    0.09
    STRESS:  cpu time    0.35: real time    0.19
    FORCOR:  cpu time    0.43: real time    0.43
    FORHAR:  cpu time    0.10: real time    0.10
    MIXING:  cpu time    0.02: real time    0.01

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.59677    -0.59677    -0.59677
  Ewald     -96.92167   -96.92167   -96.92167     0.00000     0.00000     0.00000
  Hartree     0.13612     0.13612     0.13612     0.00000     0.00000     0.00000
  E(xc)     -34.30607   -34.30607   -34.30607     0.00000     0.00000     0.00000
  Local       0.14063     0.14063     0.14063     0.00000     0.00000     0.00000
  n-local    76.49601    76.49601    76.49601     0.66984     0.66984     0.66984
  augment    -4.46741    -4.46741    -4.46741     0.00000     0.00000     0.00000
  Kinetic    59.49934    59.49934    59.49934    -4.59674    -4.59674    -4.59674
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.01982    -0.01982    -0.01982     0.00000     0.00000     0.00000
  in kB      -0.46516    -0.46516    -0.46516     0.00000     0.00000     0.00000
  external pressure =       -0.47 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      360.66
  volume of cell :       68.27
      direct lattice vectors                 reciprocal lattice vectors
     4.087078000  0.000000000  0.000000000     0.244673579  0.000000000  0.000000000
     0.000000000  4.087078000  0.000000000     0.000000000  0.244673579  0.000000000
     0.000000000  0.000000000  4.087078000     0.000000000  0.000000000  0.244673579

  length of vectors
     4.087078000  4.087078000  4.087078000     0.244673579  0.244673579  0.244673579


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.382E-14 -.135E-14 -.983E-15   -.989E-15 -.585E-15 -.191E-15   -.414E-24 0.124E-23 -.103E-23   -.230E-14 -.270E-15 0.299E-16
   -.430E-14 -.392E-14 0.205E-13   -.307E-15 0.105E-15 -.204E-15   -.103E-23 -.124E-23 0.414E-24   0.244E-14 0.254E-15 0.274E-16
   -.447E-14 -.504E-14 -.474E-14   0.224E-15 0.689E-15 0.841E-16   0.000E+00 0.000E+00 -.775E-25   -.235E-14 0.263E-15 -.284E-16
   -.337E-14 -.201E-14 -.298E-13   0.907E-15 0.682E-16 0.708E-16   0.620E-24 -.620E-24 0.569E-24   0.239E-14 -.236E-15 -.313E-16
 -----------------------------------------------------------------------------------------------
   -.160E-13 -.123E-13 -.150E-13   -.165E-15 0.278E-15 -.240E-15   -.827E-24 -.620E-24 -.129E-24   0.174E-15 0.110E-16 -.243E-17
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000      0.000000      0.000000
      2.04354      2.04354      0.00000         0.000000      0.000000      0.000000
      0.00000      2.04354      2.04354         0.000000      0.000000      0.000000
      2.04354      0.00000      2.04354         0.000000      0.000000      0.000000
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000000      0.000000


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


    POTLOK:  cpu time    0.53: real time    0.44


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


  FORCES: max atom, RMS     0.000000    0.000000
  FORCE total and by dimension    0.000000    0.000000
 Finite differences:
   Step               POTIM =   1.000000000000000E-002
   Degrees of freedom DOF   =            1
  LATTYP: Found a simple cubic cell.
 ALAT       =     4.0870780000
  
  Lattice vectors:
  
 A1 = (   4.0870780000,   0.0000000000,   0.0000000000)
 A2 = (   0.0000000000,   4.0870780000,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   4.0870780000)
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

Analysis of symmetry for initial positions (statically):

 Routine SETGRP: Setting up the symmetry group for a 
 simple cubic supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The static configuration has the point symmetry C_4v.

Analysis of symmetry for dynamics (positions and initial velocities):

 Subroutine DYNSYM returns: Found  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of  8 trial space group operations
 (whereof  8 operations were pure point group operations)
 and found also     1 'primitive' translations


The dynamic configuration has the point symmetry C_4v.

Analysis of constrained symmetry for selective dynamics:

 Subroutine DYNSYM returns: Found  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of  8 trial space group operations
 (whereof  8 operations were pure point group operations)
 and found also     1 'primitive' translations


The constrained configuration has the point symmetry C_4v.
 
 KPOINTS: Automatic kpoint scheme                 

Automatic generation of k-mesh.
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found      1 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.250000  0.250000  0.250000      8.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.061168  0.061168  0.061168      8.000000
 
    WAVPRE:  cpu time    0.06: real time    0.07
    FEWALD:  cpu time    0.00: real time    0.00
    ORTHCH:  cpu time    0.01: real time    0.00
     LOOP+:  cpu time    9.99: real time    6.07
   RESPFUN:  cpu time    0.01: real time    0.00


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


    POTLOK:  cpu time    0.51: real time    0.42
    SETDIJ:  cpu time    0.02: real time    0.02
     EDDAV:  cpu time    0.49: real time    0.14
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    0.15: real time    0.05
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time    1.19: real time    0.64

 eigenvalue-minimisations  :    20
 total energy-change (2. order) :-0.1822407E-03  (-0.1226998E-02)
 number of electron   11.9999999 magnetization 
 augmentation part    -0.1706370 magnetization 

 Broyden mixing:
  rms(total) = 0.76922E-02    rms(broyden)= 0.76922E-02
  rms(prec ) = 0.24750E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.59676569
  Ewald energy   TEWEN  =      -290.76367589
  -1/2 Hartree   DENC   =        -0.40877670
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -105.40879684
  PAW double counting   =       142.88049734      -14.72382220
  entropy T*S    EENTRO =        -0.14892296
  eigenvalues    EBANDS =        40.37368779
  atomic energy  EATOM  =       214.76153871
  ---------------------------------------------------
  free energy    TOTEN  =       -14.03503643 eV

  energy without entropy =      -13.88611347  energy(sigma->0) =      -13.98539544


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




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


    POTLOK:  cpu time    0.41: real time    0.42
    SETDIJ:  cpu time    0.02: real time    0.02
     EDDAV:  cpu time    0.87: real time    0.23
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    0.15: real time    0.05
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time    1.48: real time    0.74

 eigenvalue-minimisations  :    40
 total energy-change (2. order) : 0.2049904E-03  (-0.5096538E-04)
 number of electron   11.9999999 magnetization 
 augmentation part    -0.1706309 magnetization 

 Broyden mixing:
  rms(total) = 0.12611E-02    rms(broyden)= 0.12611E-02
  rms(prec ) = 0.37859E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1292
  1.1292

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.59676569
  Ewald energy   TEWEN  =      -290.76367589
  -1/2 Hartree   DENC   =        -0.40917314
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -105.40875128
  PAW double counting   =       142.88085830      -14.72420069
  entropy T*S    EENTRO =        -0.14921948
  eigenvalues    EBANDS =        40.37455773
  atomic energy  EATOM  =       214.76153871
  ---------------------------------------------------
  free energy    TOTEN  =       -14.03483144 eV

  energy without entropy =      -13.88561195  energy(sigma->0) =      -13.98509161


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




----------------------------------------- Iteration    2(   3)  ---------------------------------------


    POTLOK:  cpu time    0.42: real time    0.42
    SETDIJ:  cpu time    0.02: real time    0.02
     EDDAV:  cpu time    0.53: real time    0.15
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    0.16: real time    0.05
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time    1.14: real time    0.65

 eigenvalue-minimisations  :    22
 total energy-change (2. order) : 0.3480273E-05  (-0.1648339E-05)
 number of electron   11.9999999 magnetization 
 augmentation part    -0.1706314 magnetization 

 Broyden mixing:
  rms(total) = 0.54527E-03    rms(broyden)= 0.54527E-03
  rms(prec ) = 0.12470E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6777
  1.1325  2.2229

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.59676569
  Ewald energy   TEWEN  =      -290.76367589
  -1/2 Hartree   DENC   =        -0.40926601
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -105.40873986
  PAW double counting   =       142.88092449      -14.72426971
  entropy T*S    EENTRO =        -0.14924350
  eigenvalues    EBANDS =        40.37466950
  atomic energy  EATOM  =       214.76153871
  ---------------------------------------------------
  free energy    TOTEN  =       -14.03482796 eV

  energy without entropy =      -13.88558445  energy(sigma->0) =      -13.98508012


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




----------------------------------------- Iteration    2(   4)  ---------------------------------------


    POTLOK:  cpu time    0.45: real time    0.42
    SETDIJ:  cpu time    0.02: real time    0.02
     EDDAV:  cpu time    0.87: real time    0.23
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    1.35: real time    0.67

 eigenvalue-minimisations  :    40
 total energy-change (2. order) :-0.5991317E-06  (-0.2518253E-06)
 number of electron   11.9999999 magnetization 
 augmentation part    -0.1706314 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.59676569
  Ewald energy   TEWEN  =      -290.76367589
  -1/2 Hartree   DENC   =        -0.40927864
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -105.40873875
  PAW double counting   =       142.88096812      -14.72431512
  entropy T*S    EENTRO =        -0.14924137
  eigenvalues    EBANDS =        40.37468007
  atomic energy  EATOM  =       214.76153871
  ---------------------------------------------------
  free energy    TOTEN  =       -14.03482856 eV

  energy without entropy =      -13.88558719  energy(sigma->0) =      -13.98508143


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




 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -72.5927       2 -72.5928       3 -72.5928       4 -72.5928
 
 
 
 E-fermi :   6.9193     XC(G=0): -10.0850     alpha+bet :-14.3775
   add alpha+bet to get absolut eigen values

 k-point   1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation 
      1      -1.6236      2.00000
      2       2.6814      2.00000
      3       2.6843      2.00000
      4       2.6874      2.00000
      5       6.8753      1.36184
      6       6.8790      1.33318
      7       6.8825      1.30498
      8      10.9836      0.00000
      9      11.1839      0.00000
     10      11.1862      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
  8.554  -0.005   0.000   0.000   0.000   0.000   0.000   0.000
 -0.005   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   2.014   0.000   0.000  -0.026   0.000   0.000
  0.000   0.000   0.000   2.014   0.000   0.000  -0.026   0.000
  0.000   0.000   0.000   0.000   2.014   0.000   0.000  -0.026
  0.000   0.000  -0.026   0.000   0.000  -0.012   0.000   0.000
  0.000   0.000   0.000  -0.026   0.000   0.000  -0.012   0.000
  0.000   0.000   0.000   0.000  -0.026   0.000   0.000  -0.012
 total augmentation occupancy for first ion, spin component:           1
  1.374  -0.423   0.000  -0.003   0.000   0.000   0.001   0.000
 -0.423   0.452   0.000  -0.003   0.000   0.000   0.000   0.000
  0.000   0.000   0.697   0.000   0.000  -0.145   0.000   0.000
 -0.003  -0.003   0.000   0.697   0.000   0.000  -0.145   0.000
  0.000   0.000   0.000   0.000   0.697   0.000   0.000  -0.145
  0.000   0.000  -0.145   0.000   0.000   0.036   0.000   0.000
  0.001   0.000   0.000  -0.145   0.000   0.000   0.036   0.000
  0.000   0.000   0.000   0.000  -0.145   0.000   0.000   0.036


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




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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -14.034829 eV

  energy  without entropy=      -13.885587  energy(sigma->0) =      -13.985081
 
    CHARGE:  cpu time    0.10: real time    0.05
    FORLOC:  cpu time    0.03: real time    0.03
    FORNL :  cpu time    0.09: real time    0.09
    STRESS:  cpu time    0.35: real time    0.19
    FORCOR:  cpu time    0.43: real time    0.43
    FORHAR:  cpu time    0.10: real time    0.10
    MIXING:  cpu time    0.01: real time    0.01

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.59677    -0.59677    -0.59677
  Ewald     -96.92002   -96.92002   -96.92376     0.00000     0.00000     0.00000
  Hartree     0.13679     0.13679     0.13570     0.00000     0.00000     0.00000
  E(xc)     -34.30626   -34.30626   -34.30623     0.00000     0.00000     0.00000
  Local       0.13755     0.13755     0.14355     0.00000     0.00000     0.00000
  n-local    76.49725    76.49724    76.49680     0.66960     0.67039     0.67039
  augment    -4.46750    -4.46750    -4.46730     0.00000     0.00000     0.00000
  Kinetic    59.50146    59.50146    59.49607    -4.59076    -4.59947    -4.59947
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.01750    -0.01750    -0.02194     0.00000     0.00000     0.00000
  in kB      -0.41073    -0.41073    -0.51486     0.00000     0.00000     0.00000
  external pressure =       -0.45 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      360.66
  volume of cell :       68.27
      direct lattice vectors                 reciprocal lattice vectors
     4.087078000  0.000000000  0.000000000     0.244673579  0.000000000  0.000000000
     0.000000000  4.087078000  0.000000000     0.000000000  0.244673579  0.000000000
     0.000000000  0.000000000  4.087078000     0.000000000  0.000000000  0.244673579

  length of vectors
     4.087078000  4.087078000  4.087078000     0.244673579  0.244673579  0.244673579


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.186E-14 -.620E-17 -.640E-01   -.691E-15 -.781E-15 -.850E-01   0.000E+00 0.000E+00 0.104E+00   -.165E-14 -.588E-15 0.498E-03
   -.444E-14 -.479E-13 0.426E+00   -.480E-15 -.610E-17 -.239E+00   0.000E+00 0.000E+00 -.192E+00   0.168E-14 0.584E-15 0.818E-04
   -.248E-14 -.317E-14 -.181E+00   0.222E-15 0.670E-15 0.162E+00   0.000E+00 0.000E+00 0.447E-01   -.164E-14 -.186E-15 -.351E-03
   -.573E-14 0.271E-13 -.181E+00   0.784E-15 0.395E-15 0.162E+00   0.000E+00 0.000E+00 0.447E-01   0.170E-14 0.179E-15 -.351E-03
 -----------------------------------------------------------------------------------------------
   -.145E-13 -.241E-13 -.848E-03   -.165E-15 0.278E-15 -.250E-15   0.000E+00 0.000E+00 0.110E-02   0.994E-16 -.109E-16 -.123E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000      0.000000     -0.044531
      2.04354      2.04354      0.01000         0.000000      0.000000     -0.005140
      0.00000      2.04354      2.04354         0.000000      0.000000      0.024836
      2.04354      0.00000      2.04354         0.000000      0.000000      0.024836
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000000      0.000133
 d Force =-0.2569962E-04[-0.514E-04, 0.000E+00]  d Energy =-0.2556066E-04-0.139E-06
 d Force =-0.1192699E-02[-0.239E-02,-0.204E-17]  d Ewald  =-0.1192711E-02 0.121E-07


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


    POTLOK:  cpu time    0.50: real time    0.44


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


  FORCES: max atom, RMS     0.005140    0.002570
  FORCE total and by dimension    0.005140    0.005140
 Finite differences progress:
  Degree of freedom:   1/  1
  Displacement:        1/  2
  Total:               1/  2
  LATTYP: Found a simple cubic cell.
 ALAT       =     4.0870780000
  
  Lattice vectors:
  
 A1 = (   4.0870780000,   0.0000000000,   0.0000000000)
 A2 = (   0.0000000000,   4.0870780000,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   4.0870780000)
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

Analysis of symmetry for initial positions (statically):

 Routine SETGRP: Setting up the symmetry group for a 
 simple cubic supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The static configuration has the point symmetry C_4v.

Analysis of symmetry for dynamics (positions and initial velocities):

 Subroutine DYNSYM returns: Found  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of  8 trial space group operations
 (whereof  8 operations were pure point group operations)
 and found also     1 'primitive' translations


The dynamic configuration has the point symmetry C_4v.

Analysis of constrained symmetry for selective dynamics:

 Subroutine DYNSYM returns: Found  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of  8 trial space group operations
 (whereof  8 operations were pure point group operations)
 and found also     1 'primitive' translations


The constrained configuration has the point symmetry C_4v.
 
 KPOINTS: Automatic kpoint scheme                 

Automatic generation of k-mesh.
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found      1 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.250000  0.250000  0.250000      8.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.061168  0.061168  0.061168      8.000000
 
    WAVPRE:  cpu time    0.07: real time    0.07
    FEWALD:  cpu time    0.00: real time    0.00
    ORTHCH:  cpu time    0.01: real time    0.00
     LOOP+:  cpu time    7.04: real time    4.24
   RESPFUN:  cpu time    0.00: real time    0.00


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


    POTLOK:  cpu time    0.51: real time    0.42
    SETDIJ:  cpu time    0.02: real time    0.02
     EDDAV:  cpu time    0.50: real time    0.14
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    0.15: real time    0.05
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time    1.19: real time    0.64

 eigenvalue-minimisations  :    20
 total energy-change (2. order) :-0.8435110E-03  (-0.6162390E-02)
 number of electron   11.9999999 magnetization 
 augmentation part    -0.1706438 magnetization 

 Broyden mixing:
  rms(total) = 0.15409E-01    rms(broyden)= 0.15408E-01
  rms(prec ) = 0.49574E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.59676569
  Ewald energy   TEWEN  =      -290.76367589
  -1/2 Hartree   DENC   =        -0.40861658
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -105.40874135
  PAW double counting   =       142.88099623      -14.72434387
  entropy T*S    EENTRO =        -0.14838519
  eigenvalues    EBANDS =        40.37232215
  atomic energy  EATOM  =       214.76153871
  ---------------------------------------------------
  free energy    TOTEN  =       -14.03567147 eV

  energy without entropy =      -13.88728628  energy(sigma->0) =      -13.98620974


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




----------------------------------------- Iteration    3(   2)  ---------------------------------------


    POTLOK:  cpu time    0.41: real time    0.42
    SETDIJ:  cpu time    0.02: real time    0.02
     EDDAV:  cpu time    0.81: real time    0.22
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    0.16: real time    0.05
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time    1.41: real time    0.72

 eigenvalue-minimisations  :    36
 total energy-change (2. order) : 0.8316217E-03  (-0.1966458E-03)
 number of electron   11.9999999 magnetization 
 augmentation part    -0.1706341 magnetization 

 Broyden mixing:
  rms(total) = 0.25275E-02    rms(broyden)= 0.25275E-02
  rms(prec ) = 0.76056E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1297
  1.1297

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.59676569
  Ewald energy   TEWEN  =      -290.76367589
  -1/2 Hartree   DENC   =        -0.40905889
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -105.40872669
  PAW double counting   =       142.88107582      -14.72443302
  entropy T*S    EENTRO =        -0.14919437
  eigenvalues    EBANDS =        40.37440017
  atomic energy  EATOM  =       214.76153871
  ---------------------------------------------------
  free energy    TOTEN  =       -14.03483985 eV

  energy without entropy =      -13.88564547  energy(sigma->0) =      -13.98510839


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




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


    POTLOK:  cpu time    0.42: real time    0.42
    SETDIJ:  cpu time    0.02: real time    0.02
     EDDAV:  cpu time    0.57: real time    0.16
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    0.15: real time    0.05
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time    1.17: real time    0.66

 eigenvalue-minimisations  :    24
 total energy-change (2. order) : 0.1410579E-04  (-0.6772457E-05)
 number of electron   11.9999999 magnetization 
 augmentation part    -0.1706318 magnetization 

 Broyden mixing:
  rms(total) = 0.10888E-02    rms(broyden)= 0.10888E-02
  rms(prec ) = 0.24871E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6723
  1.1350  2.2097

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.59676569
  Ewald energy   TEWEN  =      -290.76367589
  -1/2 Hartree   DENC   =        -0.40924102
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -105.40872527
  PAW double counting   =       142.88106430      -14.72441967
  entropy T*S    EENTRO =        -0.14924516
  eigenvalues    EBANDS =        40.37464395
  atomic energy  EATOM  =       214.76153871
  ---------------------------------------------------
  free energy    TOTEN  =       -14.03482574 eV

  energy without entropy =      -13.88558058  energy(sigma->0) =      -13.98507735


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




----------------------------------------- Iteration    3(   4)  ---------------------------------------


    POTLOK:  cpu time    0.45: real time    0.42
    SETDIJ:  cpu time    0.02: real time    0.02
     EDDAV:  cpu time    0.84: real time    0.22
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    0.15: real time    0.05
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time    1.48: real time    0.73

 eigenvalue-minimisations  :    38
 total energy-change (2. order) :-0.2396237E-05  (-0.9939741E-06)
 number of electron   11.9999999 magnetization 
 augmentation part    -0.1706309 magnetization 

 Broyden mixing:
  rms(total) = 0.41741E-03    rms(broyden)= 0.41741E-03
  rms(prec ) = 0.89584E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7349
  2.6901  1.1969  1.3177

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.59676569
  Ewald energy   TEWEN  =      -290.76367589
  -1/2 Hartree   DENC   =        -0.40926927
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -105.40873441
  PAW double counting   =       142.88100017      -14.72435034
  entropy T*S    EENTRO =        -0.14924055
  eigenvalues    EBANDS =        40.37466914
  atomic energy  EATOM  =       214.76153871
  ---------------------------------------------------
  free energy    TOTEN  =       -14.03482814 eV

  energy without entropy =      -13.88558758  energy(sigma->0) =      -13.98508129


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




----------------------------------------- Iteration    3(   5)  ---------------------------------------


    POTLOK:  cpu time    0.49: real time    0.43
    SETDIJ:  cpu time    0.02: real time    0.02
     EDDAV:  cpu time    0.72: real time    0.19
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    1.24: real time    0.64

 eigenvalue-minimisations  :    32
 total energy-change (2. order) :-0.5721054E-06  (-0.7255434E-07)
 number of electron   11.9999999 magnetization 
 augmentation part    -0.1706309 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.59676569
  Ewald energy   TEWEN  =      -290.76367589
  -1/2 Hartree   DENC   =        -0.40928549
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -105.40873697
  PAW double counting   =       142.88101216      -14.72436020
  entropy T*S    EENTRO =        -0.14924381
  eigenvalues    EBANDS =        40.37468846
  atomic energy  EATOM  =       214.76153871
  ---------------------------------------------------
  free energy    TOTEN  =       -14.03482871 eV

  energy without entropy =      -13.88558490  energy(sigma->0) =      -13.98508077


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




 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -72.5927       2 -72.5928       3 -72.5928       4 -72.5928
 
 
 
 E-fermi :   6.9193     XC(G=0): -10.0850     alpha+bet :-14.3775
   add alpha+bet to get absolut eigen values

 k-point   1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation 
      1      -1.6236      2.00000
      2       2.6814      2.00000
      3       2.6843      2.00000
      4       2.6873      2.00000
      5       6.8754      1.36150
      6       6.8790      1.33317
      7       6.8825      1.30533
      8      10.9836      0.00000
      9      11.1825      0.00000
     10      11.1847      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
  8.554  -0.005   0.000   0.000   0.000   0.000   0.000   0.000
 -0.005   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   2.014   0.000   0.000  -0.026   0.000   0.000
  0.000   0.000   0.000   2.014   0.000   0.000  -0.026   0.000
  0.000   0.000   0.000   0.000   2.014   0.000   0.000  -0.026
  0.000   0.000  -0.026   0.000   0.000  -0.012   0.000   0.000
  0.000   0.000   0.000  -0.026   0.000   0.000  -0.012   0.000
  0.000   0.000   0.000   0.000  -0.026   0.000   0.000  -0.012
 total augmentation occupancy for first ion, spin component:           1
  1.374  -0.423   0.000   0.003   0.000   0.000  -0.002   0.000
 -0.423   0.452   0.000   0.003   0.000   0.000   0.000   0.000
  0.000   0.000   0.697   0.000   0.000  -0.145   0.000   0.000
  0.003   0.003   0.000   0.697   0.000   0.000  -0.145   0.000
  0.000   0.000   0.000   0.000   0.697   0.000   0.000  -0.145
  0.000   0.000  -0.145   0.000   0.000   0.036   0.000   0.000
 -0.002   0.000   0.000  -0.145   0.000   0.000   0.036   0.000
  0.000   0.000   0.000   0.000  -0.145   0.000   0.000   0.036


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




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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -14.034829 eV

  energy  without entropy=      -13.885585  energy(sigma->0) =      -13.985081
 
    CHARGE:  cpu time    0.10: real time    0.05
    FORLOC:  cpu time    0.03: real time    0.03
    FORNL :  cpu time    0.09: real time    0.09
    STRESS:  cpu time    0.35: real time    0.18
    FORCOR:  cpu time    0.43: real time    0.43
    FORHAR:  cpu time    0.10: real time    0.10
    MIXING:  cpu time    0.01: real time    0.01

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.59677    -0.59677    -0.59677
  Ewald     -96.92002   -96.92002   -96.92376     0.00000     0.00000     0.00000
  Hartree     0.13679     0.13679     0.13570     0.00000     0.00000     0.00000
  E(xc)     -34.30626   -34.30626   -34.30623     0.00000     0.00000     0.00000
  Local       0.13755     0.13755     0.14356     0.00000     0.00000     0.00000
  n-local    76.49722    76.49723    76.49678     0.66960     0.67039     0.67039
  augment    -4.46749    -4.46749    -4.46729     0.00000     0.00000     0.00000
  Kinetic    59.50147    59.50147    59.49605    -4.59074    -4.59948    -4.59948
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.01750    -0.01750    -0.02196     0.00000     0.00000     0.00000
  in kB      -0.41079    -0.41079    -0.51535     0.00000     0.00000     0.00000
  external pressure =       -0.45 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      360.66
  volume of cell :       68.27
      direct lattice vectors                 reciprocal lattice vectors
     4.087078000  0.000000000  0.000000000     0.244673579  0.000000000  0.000000000
     0.000000000  4.087078000  0.000000000     0.000000000  0.244673579  0.000000000
     0.000000000  0.000000000  4.087078000     0.000000000  0.000000000  0.244673579

  length of vectors
     4.087078000  4.087078000  4.087078000     0.244673579  0.244673579  0.244673579


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.939E-15 -.951E-15 0.602E-01   -.186E-14 -.779E-15 0.850E-01   -.173E-17 0.173E-17 -.101E+00   0.361E-15 0.102E-15 0.283E-04
   -.526E-14 -.864E-14 -.422E+00   0.608E-15 -.442E-18 0.239E+00   0.000E+00 0.000E+00 0.190E+00   -.271E-15 -.625E-16 -.468E-03
   -.142E-14 -.441E-14 0.181E+00   0.189E-15 0.677E-15 -.162E+00   0.000E+00 -.173E-17 -.443E-01   0.308E-15 0.141E-16 0.227E-03
   -.650E-14 0.146E-13 0.181E+00   0.902E-15 0.380E-15 -.162E+00   0.173E-17 0.000E+00 -.443E-01   -.351E-15 -.574E-16 0.227E-03
 -----------------------------------------------------------------------------------------------
   -.141E-13 0.581E-15 0.269E-04   -.165E-15 0.278E-15 -.278E-15   0.000E+00 0.000E+00 -.521E-04   0.467E-16 -.351E-17 0.155E-04
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000      0.000000      0.043991
      2.04354      2.04354     -0.01000         0.000000      0.000000      0.005496
      0.00000      2.04354      2.04354         0.000000      0.000000     -0.024743
      2.04354      0.00000      2.04354         0.000000      0.000000     -0.024743
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000000     -0.000010
 d Force =-0.3558205E-05[-0.110E-03, 0.103E-03]  d Energy = 0.1526930E-06-0.371E-05
 d Force = 0.1084202E-16[-0.477E-02, 0.477E-02]  d Ewald  = 0.0000000E+00 0.000E+00


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


    POTLOK:  cpu time    0.53: real time    0.44


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


  FORCES: max atom, RMS     0.005496    0.002748
  FORCE total and by dimension    0.005496    0.005496
 Finite differences progress:
  Degree of freedom:   1/  1
  Displacement:        2/  2
  Total:               2/  2
 
 SECOND DERIVATIVES (NOT SYMMETRIZED)
 ------------------------------------
               2Z 
  2Z    -0.531783
 
 
 Eigenvectors and eigenvalues of the dynamical matrix
 ----------------------------------------------------
 
 
   1 f  =    2.194730 THz    13.789893 2PiTHz   73.208297 cm-1     9.076675 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000            0           0           0  
      2.043539  2.043539  0.000000            0           0    1.000000  
      0.000000  2.043539  2.043539            0           0           0  
      2.043539  0.000000  2.043539            0           0           0  
 
 Finite differences POTIM=  1.000000000000000E-002
  LATTYP: Found a simple cubic cell.
 ALAT       =     4.0870780000
  
  Lattice vectors:
  
 A1 = (   4.0870780000,   0.0000000000,   0.0000000000)
 A2 = (   0.0000000000,   4.0870780000,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,   4.0870780000)
 Subroutine PRICEL returns following result:
 
  LATTYP: Found a face centered cubic cell.
 ALAT       =     4.0870780000
  
  Lattice vectors:
  
 A1 = (   2.0435390000,   2.0435390000,   0.0000000000)
 A2 = (   2.0435390000,   0.0000000000,  -2.0435390000)
 A3 = (   0.0000000000,   2.0435390000,  -2.0435390000)
 
   4 primitive cells build up your supercell.
 

Analysis of symmetry for initial positions (statically):

 Routine SETGRP: Setting up the symmetry group for a 
 simple cubic supercell.


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


The static configuration has the point symmetry O_h .

Analysis of symmetry for dynamics (positions and initial velocities):

 Subroutine DYNSYM returns: Found 48 space group operations
 (whereof 48 operations were pure point group operations)
 out of a pool of 48 trial space group operations
 (whereof 48 operations were pure point group operations)
 and found also     4 'primitive' translations


The dynamic configuration has the point symmetry O_h .

Analysis of constrained symmetry for selective dynamics:

 Subroutine DYNSYM returns: Found 48 space group operations
 (whereof 48 operations were pure point group operations)
 out of a pool of 48 trial space group operations
 (whereof 48 operations were pure point group operations)
 and found also     4 'primitive' translations


The constrained configuration has the point symmetry O_h .
 
 KPOINTS: Automatic kpoint scheme                 

Automatic generation of k-mesh.
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found      1 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.250000  0.250000  0.250000      8.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.061168  0.061168  0.061168      8.000000
 
     LOOP+:  cpu time    8.35: real time    4.93
    4ORBIT:  cpu time    0.00: real time    0.00

 total amount of memory used by VASP on root node  46033. kBytes
========================================================================

   base      :    30000. kBytes
   nonl-proj :      135. kBytes
   fftplans  :     6192. kBytes
   grid      :     9520. kBytes
   one-center:       12. kBytes
   wavefun   :      174. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):       25.864
                            User time (sec):       25.611
                          System time (sec):        0.253
                         Elapsed time (sec):       15.726
  
                   Maximum memory used (kb):           0.
                   Average memory used (kb):           0.
  
                          Minor page faults:        52430
                          Major page faults:            0
                 Voluntary context switches:          386
