running on 2 total cores
distrk: each k-point on 2 cores, 1 groups
distr: one band on 1 cores, 2 groups
vasp.6.3.2 27Jun22 (build Jan 12 2023 12:08:26) complex
MD_VERSION_INFO: Compiled 2023-01-12T11:37:00-UTC in mrdevlin:/home/medea/data/
build/vasp6.3.2/18368/x86_64/src/src/build/std from svn 18368
This VASP executable licensed from Materials Design, Inc.
POSCAR found type information on POSCAR SnO C H
POSCAR found : 4 types and 52 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 0.560830598303E+04 0.56083E+04 -0.12801E+05 1744 0.182E+03
DAV: 2 0.828803504923E+03 -0.47795E+04 -0.46175E+04 1936 0.549E+02
DAV: 3 -0.226900054939E+03 -0.10557E+04 -0.10109E+04 1888 0.259E+02
DAV: 4 -0.336234292283E+03 -0.10933E+03 -0.10673E+03 2104 0.874E+01
DAV: 5 -0.340099392167E+03 -0.38651E+01 -0.38362E+01 2040 0.168E+01 0.413E+01
DAV: 6 -0.289708997447E+03 0.50390E+02 -0.18624E+02 2656 0.789E+01 0.169E+01
DAV: 7 -0.289690474286E+03 0.18523E-01 -0.29951E+01 2192 0.145E+01 0.108E+01
DAV: 8 -0.288969099810E+03 0.72137E+00 -0.61605E+00 2232 0.977E+00 0.785E+00
DAV: 9 -0.289155623420E+03 -0.18652E+00 -0.11691E+01 2456 0.648E+00 0.628E+00
DAV: 10 -0.288741154136E+03 0.41447E+00 -0.44914E+00 2344 0.369E+00 0.328E+00
DAV: 11 -0.288585449000E+03 0.15571E+00 -0.51540E-01 2336 0.251E+00 0.162E+00
DAV: 12 -0.288558111234E+03 0.27338E-01 -0.17491E-01 2408 0.142E+00 0.873E-01
DAV: 13 -0.288557036694E+03 0.10745E-02 -0.38614E-02 2360 0.929E-01 0.613E-01
DAV: 14 -0.288557287075E+03 -0.25038E-03 -0.22101E-02 2360 0.723E-01 0.518E-01
DAV: 15 -0.288557595258E+03 -0.30818E-03 -0.20081E-02 2208 0.644E-01 0.275E-01
DAV: 16 -0.288556886020E+03 0.70924E-03 -0.68680E-03 2064 0.324E-01 0.137E-01
DAV: 17 -0.288557034593E+03 -0.14857E-03 -0.18022E-03 2024 0.174E-01 0.113E-01
DAV: 18 -0.288557104952E+03 -0.70359E-04 -0.91432E-04 2272 0.117E-01 0.753E-02
DAV: 19 -0.288557053824E+03 0.51128E-04 -0.44251E-04 2000 0.994E-02 0.255E-02
DAV: 20 -0.288557048558E+03 0.52654E-05 -0.11251E-04 1856 0.367E-02 0.191E-02