running 4 mpi-ranks, on 1 nodes
distrk: each k-point on 4 cores, 1 groups
distr: one band on 1 cores, 4 groups
vasp.6.4.1 05Apr23 (build Apr 16 2023 21:42:41) complex
MD_VERSION_INFO: Compiled 2023-04-16T20:12:19-UTC in mrdevlin:/home/medea/data/
build/vasp6.4.1/19212/x86_64/src/src/build/std from svn 19212
This VASP executable licensed from Materials Design, Inc.
POSCAR found type information on POSCAR SiO
POSCAR found : 2 types and 6 ions
scaLAPACK is switched off
-----------------------------------------------------------------------------
| |
| ----> ADVICE to this user running VASP <---- |
| |
| You have switched on vdW-DFT. |
| This routine was written and supplied by Jiri Klimes. We recommend |
| that you carefully read and cite the following publications: |
| J. Klimes, D.R. Bowler, A. Michelides |
| J. Phys.: Cond Matt. 22 022201 (2010) |
| J. Klimes, D.R. Bowler, A. Michelides |
| Phys. Rev. B. 83, 195131 (2011) |
| and references therein. |
| |
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-----------------------------------------------------------------------------
| |
| ----> ADVICE to this user running VASP <---- |
| |
| You enforced a specific xc type in the INCAR file but a different |
| type was found in the POTCAR file. |
| I HOPE YOU KNOW WHAT YOU ARE DOING! |
| |
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LDA part: xc-table for Pade appr. of Perdew
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ... GRIDC
FFT: planning ... GRID_SOFT
FFT: planning ... GRID
WAVECAR not read
entering main loop
N E dE d eps ncg rms rms(c)
Total vdW correction in eV: 4.5036015
DAV: 1 0.171746621795E+03 0.17175E+03 -0.17904E+04 2000 0.149E+03
DAV: 2 -0.362564194361E+02 -0.20800E+03 -0.20006E+03 2684 0.321E+02
DAV: 3 -0.430684110780E+02 -0.68120E+01 -0.67934E+01 2400 0.626E+01
DAV: 4 -0.431214675909E+02 -0.53057E-01 -0.52991E-01 2372 0.629E+00
DAV: 5 -0.431220848629E+02 -0.61727E-03 -0.61717E-03 2332 0.648E-01 0.175E+01
Total vdW correction in eV: 4.9406255
DAV: 6 -0.383392145262E+02 0.47829E+01 -0.18884E+01 2236 0.308E+01 0.798E+00
Total vdW correction in eV: 5.0549883
DAV: 7 -0.383596619997E+02 -0.20447E-01 -0.57295E-01 2352 0.530E+00 0.303E+00
Total vdW correction in eV: 5.1236396
DAV: 8 -0.383715337665E+02 -0.11872E-01 -0.20632E-02 2252 0.152E+00 0.108E+00
Total vdW correction in eV: 5.1853586
DAV: 9 -0.383765081265E+02 -0.49744E-02 -0.75867E-03 2304 0.946E-01 0.222E-01
Total vdW correction in eV: 5.1897716
DAV: 10 -0.383766804377E+02 -0.17231E-03 -0.48851E-04 2344 0.189E-01 0.437E-02