Running VASP on 60 cores :
Using executable /home/medea/MD/TaskServer/Tools/vasp6.3.1/Linux-x86_64/vasp_std
running on 60 total cores
distrk: each k-point on 60 cores, 1 groups
distr: one band on 6 cores, 10 groups
vasp.6.3.1 04May22 (build Jun 24 2022 14:24:36) complex
MD_VERSION_INFO: Compiled 2022-06-24T12:52:24-UTC in mrdevlin:/home/medea/data/
build/vasp6.3.1/17134/x86_64/src/src/build/std from svn 17134
This VASP executable licensed from Materials Design, Inc.
POSCAR found : 4 types and 10 ions
scaLAPACK is switched off
LDA part: xc-table for Pade appr. of Perdew
found WAVECAR, reading the header
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ... GRIDC
FFT: planning ... GRID_SOFT
FFT: planning ... GRID
reading WAVECAR
the WAVECAR file was read successfully
initial charge from wavefunction
entering main loop
N E dE d eps ncg rms ort
gam= 0.000 g(H,U,f)= 0.226E+00 0.185E+00 0.102E-14 ort(H,U,f) = 0.000E+00 0.000E+00 0.000E+00
SDA: 1 -0.411200713475E+02 -0.41120E+02 -0.16444E+00 2400 0.411E+00 0.000E+00
gam= 0.382 g(H,U,f)= 0.809E-01 0.104E+00 0.136E-14 ort(H,U,f) = 0.119E+00 0.127E+00 0.143E-14
DMP: 2 -0.412507665021E+02 -0.13070E+00 -0.11164E+00 2400 0.185E+00 0.246E+00
gam= 0.382 g(H,U,f)= 0.216E-01 0.542E-01 0.399E-15 ort(H,U,f) = 0.435E-01 0.987E-01 0.720E-15
DMP: 3 -0.413343792177E+02 -0.83613E-01 -0.52063E-01 2400 0.759E-01 0.142E+00
gam= 0.382 g(H,U,f)= 0.456E-02 0.276E-01 0.849E-16 ort(H,U,f) = 0.578E-02 0.605E-01 0.239E-15
DMP: 4 -0.413734079022E+02 -0.39029E-01 -0.22986E-01 2400 0.321E-01 0.663E-01
gam= 0.382 g(H,U,f)= 0.181E-02 0.133E-01 0.817E-16 ort(H,U,f) =-0.116E-02 0.332E-01 0.392E-15
DMP: 5 -0.413912389551E+02 -0.17831E-01 -0.10922E-01 2400 0.151E-01 0.321E-01
gam= 0.382 g(H,U,f)= 0.113E-02 0.619E-02 0.669E-18 ort(H,U,f) =-0.149E-03 0.169E-01 0.479E-17
DMP: 6 -0.414000302620E+02 -0.87913E-02 -0.54860E-02 2400 0.732E-02 0.167E-01
gam= 0.382 g(H,U,f)= 0.567E-03 0.293E-02 0.110E-16 ort(H,U,f) = 0.490E-03 0.834E-02-0.268E-16
DMP: 7 -0.414045287582E+02 -0.44985E-02 -0.27480E-02 2400 0.350E-02 0.883E-02
gam= 0.382 g(H,U,f)= 0.214E-03 0.141E-02 0.135E-16 ort(H,U,f) = 0.314E-03 0.413E-02-0.520E-18
DMP: 8 -0.414067792501E+02 -0.22505E-02 -0.13302E-02 2400 0.163E-02 0.444E-02
gam= 0.382 g(H,U,f)= 0.755E-04 0.683E-03 0.137E-16 ort(H,U,f) = 0.140E-03 0.204E-02 0.125E-16
DMP: 9 -0.414078719028E+02 -0.10927E-02 -0.63736E-03 2400 0.759E-03 0.219E-02
gam= 0.382 g(H,U,f)= 0.227E-04 0.329E-03 0.315E-17 ort(H,U,f) = 0.447E-04 0.100E-02 0.441E-17
DMP: 10 -0.414083944792E+02 -0.52258E-03 -0.30080E-03 2400 0.351E-03 0.105E-02
gam= 0.382 g(H,U,f)= 0.723E-05 0.157E-03 0.127E-16 ort(H,U,f) = 0.129E-04 0.489E-03 0.219E-16
DMP: 11 -0.414086420072E+02 -0.24753E-03 -0.14257E-03 2400 0.165E-03 0.502E-03
gam= 0.382 g(H,U,f)= 0.185E-05 0.752E-04 0.113E-17 ort(H,U,f) = 0.239E-05 0.236E-03 0.222E-17
DMP: 12 -0.414087593562E+02 -0.11735E-03 -0.67318E-04 2400 0.771E-04 0.239E-03
gam= 0.382 g(H,U,f)= 0.899E-06 0.359E-04 0.245E-17 ort(H,U,f) = 0.254E-06 0.114E-03 0.525E-17
DMP: 13 -0.414088149985E+02 -0.55642E-04 -0.32152E-04 2400 0.368E-04 0.114E-03
gam= 0.382 g(H,U,f)= 0.426E-06 0.172E-04 0.425E-17 ort(H,U,f) = 0.138E-06 0.547E-04 0.965E-17
DMP: 14 -0.414088415844E+02 -0.26586E-04 -0.15428E-04 2400 0.176E-04 0.548E-04
gam= 0.382 g(H,U,f)= 0.191E-06 0.827E-05 0.201E-18 ort(H,U,f) = 0.101E-06 0.263E-04 0.475E-18
DMP: 15 -0.414088542947E+02 -0.12710E-04 -0.74162E-05 2400 0.846E-05 0.264E-04
gam= 0.382 g(H,U,f)= 0.913E-07 0.398E-05 0.271E-18 ort(H,U,f) = 0.669E-07 0.127E-04 0.656E-18
DMP: 16 -0.414088604147E+02 -0.61200E-05 -0.35725E-05 2400 0.407E-05 0.127E-04
final diagonalization
1 F= -.41408860E+02 E0= -.41408860E+02 d E =-.484266E-11
optical routines
imaginary and real dielectric function
recalculating local potential from charge density
direction 1
direction 2
direction 3