https://vasp.at/wiki/index.php?action=history&feed=atom&title=Template%3ASNIPPETTemplate:SNIPPET - Revision history2026-04-07T11:32:59ZRevision history for this page on the wikiMediaWiki 1.40.1https://vasp.at/wiki/index.php?title=Template:SNIPPET&diff=20409&oldid=prevSchlipf: Created page with "<includeonly><div class="snippet"> {{{1}}} {{{2}}} </div></includeonly><noinclude> == Example == {{SNIPPET| running on 8 total cores distrk: each k-point on 8 cores,..."2023-05-12T20:49:20Z<p>Created page with "<includeonly><div class="snippet"> {{{1}}} {{{2}}} </div></includeonly><noinclude> == Example == {{SNIPPET| running on 8 total cores distrk: each k-point on 8 cores,..."</p>
<p><b>New page</b></p><div><includeonly><div class="snippet"><br />
{{{1}}}<br />
{{{2}}}<br />
</div></includeonly><noinclude><br />
== Example ==<br />
{{SNIPPET|<br />
running on 8 total cores<br />
distrk: each k-point on 8 cores, 1 groups<br />
distr: one band on 1 cores, 8 groups<br />
using from now: INCAR <br />
vasp.5.4.1 05Feb16 (build Aug 22 2016 16:46:23) complex <br />
POSCAR found : 1 types and 1 ions<br />
scaLAPACK will be used<br />
LDA part: xc-table for Pade appr. of Perdew<br />
POSCAR, INCAR and KPOINTS ok, starting setup<br />
WARNING: small aliasing (wrap around) errors must be expected<br />
FFT: planning ...<br />
WAVECAR not read<br />
entering main loop<br />
N E dE d eps ncg rms rms(c)<br />
DAV: 1 0.384469664751E+02 0.38447E+02 -0.96726E+02 16 0.293E+02<br />
DAV: 2 0.345965628955E+01 -0.34987E+02 -0.34942E+02 32 0.450E+01<br />
DAV: 3 -0.244485866931E+00 -0.37041E+01 -0.34307E+01 16 0.308E+01<br />
DAV: 4 -0.312557021227E+00 -0.68071E-01 -0.66914E-01 16 0.508E+00<br />
DAV: 5 -0.313520305300E+00 -0.96328E-03 -0.96311E-03 32 0.506E-01 0.286E-01<br />
DAV: 6 -0.314540466589E+00 -0.10202E-02 -0.17853E-03 16 0.332E-01 0.142E-01<br />
DAV: 7 -0.314637222361E+00 -0.96756E-04 -0.22710E-04 16 0.134E-01<br />
1 F{{=}} -.31463722E+00 E0{{=}} -.16037490E+00 d E {{=}}-.308525E+00<br />
writing wavefunctions<br />
|The example output (stdout) for the O atom was obtained using VASP version 5.4.1. The initial charge corresponds to the charge of isolated overlapping atoms ({{TAG|POTCAR}} file). For the first 4 steps the charge remains fixed, then the charge is updated (''rms(c)'' column)<br />
<br />
Short explanation of the symbols in the {{TAG|OSZICAR}} and stdout file:<br />
{{Stdout}}<br />
}}<br />
</noinclude></div>Schlipf