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 22:14:57) gamma-only
MD_VERSION_INFO: Compiled 2023-04-16T20:44:05-UTC in mrdevlin:/home/medea/data/
build/vasp6.4.1/19212/x86_64/src/src/build/gam from svn 19212
This VASP executable licensed from Materials Design, Inc.
POSCAR found type information on POSCAR SiO C H
POSCAR found : 4 types and 477 ions
scaLAPACK is switched off
-----------------------------------------------------------------------------
| |
| ----> ADVICE to this user running VASP <---- |
| |
| You have a (more or less) 'large supercell' and for larger cells it |
| might be more efficient to use real-space projection operators. |
| Therefore, try LREAL= Auto in the INCAR file. |
| Mind: For very accurate calculation, you might also keep the |
| reciprocal projection scheme (i.e. LREAL=.FALSE.). |
| |
-----------------------------------------------------------------------------
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)
DAV: 1 0.102723414314E+05 0.10272E+05 -0.68998E+05 2040 0.114E+03
DAV: 2 -0.202458090239E+04 -0.12297E+05 -0.11885E+05 2424 0.302E+02
DAV: 3 -0.317263369959E+04 -0.11481E+04 -0.11413E+04 2344 0.986E+01
DAV: 4 -0.320006375616E+04 -0.27430E+02 -0.27333E+02 2392 0.167E+01
DAV: 5 -0.320083522656E+04 -0.77147E+00 -0.77053E+00 2384 0.261E+00 0.123E+02
DAV: 6 -0.286213101161E+04 0.33870E+03 -0.11526E+03 2168 0.295E+01 0.580E+01
DAV: 7 -0.284573836346E+04 0.16393E+02 -0.71039E+01 2576 0.822E+00 0.268E+01
DAV: 8 -0.284149543441E+04 0.42429E+01 -0.98585E+00 2384 0.410E+00 0.103E+01
DAV: 9 -0.284079049266E+04 0.70494E+00 -0.23271E+00 2400 0.212E+00 0.210E+00