./Stage_1/VASP.out output for Job 263

./Stage_1/VASP.out output for 263: (Cs2AgInCl6)4 (Fm-3m) ~ Cs2InAgCl6_mp-1096926_symmetrized.cif (VASP)

Status: finished
Running VASP on 64 cores :
  Using executable /home/medea/MD/TaskServer/Tools/vasp5.4.4/Linux-x86_64/vasp_std

 running on   64 total cores
 distrk:  each k-point on   64 cores,    1 groups
 distr:  one band on    1 cores,   64 groups
 using from now: INCAR     
 vasp.5.4.4.18Apr17-6-g9f103f2a35 (build May 12 2020 04:58:55) complex          
  
 MD_VERSION_INFO: Compiled 2020-05-12T11:58:55-UTC in devlin.sd.materialsdesign.
 com:/home/medea2/data/build/wwolf/vasp-gpu5.4.4/13047/x86_64/src/src/build/std 
 from svn 13047
 
 This VASP executable licensed from Materials Design, Inc.
 
 POSCAR found type information on POSCAR  Cs In Ag Cl
 POSCAR found :  4 types and      10 ions
 scaLAPACK is switched off

 ----------------------------------------------------------------------------- 
|                                                                             |
|           W    W    AA    RRRRR   N    N  II  N    N   GGGG   !!!           |
|           W    W   A  A   R    R  NN   N  II  NN   N  G    G  !!!           |
|           W    W  A    A  R    R  N N  N  II  N N  N  G       !!!           |
|           W WW W  AAAAAA  RRRRR   N  N N  II  N  N N  G  GGG   !            |
|           WW  WW  A    A  R   R   N   NN  II  N   NN  G    G                |
|           W    W  A    A  R    R  N    N  II  N    N   GGGG   !!!           |
|                                                                             |
|      For optimal performance we recommend to set                            |
|        NCORE= 4 - approx SQRT( number of cores)                             |
|      NCORE specifies how many cores store one orbital (NPAR=cpu/NCORE).     |
|      This setting can  greatly improve the performance of VASP for DFT.     |
|      The default,   NCORE=1            might be grossly inefficient         |
|      on modern multi-core architectures or massively parallel machines.     |
|      Do your own testing !!!!                                               |
|      Unfortunately you need to use the default for GW and RPA calculations. |
|      (for HF NCORE is supported but not extensively tested yet)             |
|                                                                             |
 ----------------------------------------------------------------------------- 

 LDA part: xc-table for Pade appr. of Perdew
 POSCAR, INCAR and KPOINTS ok, starting setup
 FFT: planning ...
 WAVECAR not read
 entering main loop
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1     0.268672215009E+03    0.26867E+03   -0.29271E+04  1024   0.709E+02 
DAV:   2    -0.274194977140E+02   -0.29609E+03   -0.29577E+03  1472   0.144E+02 
DAV:   3    -0.332164020070E+02   -0.57969E+01   -0.57967E+01  1216   0.279E+01 
DAV:   4    -0.332456990212E+02   -0.29297E-01   -0.29297E-01  1920   0.229E+00 
DAV:   5    -0.332457045407E+02   -0.55195E-05   -0.55197E-05  1152   0.271E-02    0.114E+01
DAV:   6    -0.318180949110E+02    0.14276E+01   -0.49986E+00  1664   0.111E+01    0.793E+00
DAV:   7    -0.316919630952E+02    0.12613E+00   -0.73330E-01  1920   0.447E+00    0.390E+00
DAV:   8    -0.316935306035E+02   -0.15675E-02   -0.67012E-02  1792   0.106E+00    0.415E-01
DAV:   9    -0.316944182359E+02   -0.88763E-03   -0.43849E-03  1408   0.265E-01    0.158E-01
DAV:  10    -0.316948107994E+02   -0.39256E-03   -0.38722E-04  1664   0.758E-02    0.850E-02
DAV:  11    -0.316950869372E+02   -0.27614E-03   -0.22230E-04  1664   0.685E-02    0.360E-02
DAV:  12    -0.316951335749E+02   -0.46638E-04   -0.40704E-05  1920   0.211E-02    0.140E-02
DAV:  13    -0.316951453103E+02   -0.11735E-04   -0.89779E-06  1600   0.128E-02    0.665E-03
DAV:  14    -0.316951467404E+02   -0.14301E-05   -0.16706E-06  1792   0.515E-03 
   1 F= -.31695147E+02 E0= -.31696319E+02  d E =0.351808E-02  mag=     0.0000