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<p>I have not seen that.</p>
<p>Of note, SRC_sumpara/param.inc has NCOM=121.</p>
<p>It looks like sumpara.F throws the error from:</p>
<p>if(lmmax(jatom).gt.ncom) stop 'ncom too small'</p>
<p>The post at [1] by Dr. Fecher has a lapw0 code line:</p>
<p>if(lmmaxx.eq.0) lmmaxx=ncom</p>
<p>Would the structure your working with happen to have low
symmetries? Prof. Blaha mentioned NCOM needing set to 261 for
that in the post at [2]. Though, I'm not entirely sure if the
same NCOM value would be needed for sumpara.</p>
[1]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg23789.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg23789.html</a><br>
[2]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg23797.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg23797.html</a>
<p>Best Regards,</p>
Gavin<br>
WIEN2k user
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<div class="moz-cite-prefix">On 2/10/2026 9:43 AM, Laurence Marks
wrote:<br>
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cite="mid:CANkSMZA10XC12ZhN5ej=-_StxdfPNdMwoAk1bFK-YUZ_gsH8QA@mail.gmail.com">
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<div>Has anyone seen this? I suspect NaN in lapw2, but I am not
sure.</div>
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<div data-smartmail="gmail_signature">___<br>
Emeritus Professor Laurence Marks (Laurie)<br>
Department of Materials Science and Engineering, Northwestern
University<br>
<a href="http://www.numis.northwestern.edu"
moz-do-not-send="true">www.numis.northwestern.edu</a><br>
"Research is to see what everybody else has seen, and to think
what nobody else has thought" Albert Szent-Györgyi</div>
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