<div dir="auto">Which version(s) of Wien2k does this effect?<br><br><div data-smartmail="gmail_signature">--<br>Professor Laurence Marks<br>Department of Materials Science and Engineering, Northwestern University<br><a href="http://www.numis.northwestern.edu">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></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, Feb 1, 2023, 02:31 Peter Blaha <<a href="mailto:peter.blaha@tuwien.ac.at">peter.blaha@tuwien.ac.at</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Dear wien2k users,<br>
<br>
There is a small bug in run_lapw for cases without inversion symmetry.<br>
Most likely not critical except when the default case.in1c file would <br>
produce a QTL-B error, which would not be fixed automatically.<br>
<br>
A new version is attached and the web-version has been corrected <br>
(release 1.2.23)<br>
<br>
Regards<br>
-- <br>
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>
Phone: +43-1-58801-165300<br>
Email: <a href="mailto:peter.blaha@tuwien.ac.at" target="_blank" rel="noreferrer">peter.blaha@tuwien.ac.at</a> WIEN2k: <a href="http://www.wien2k.at" rel="noreferrer noreferrer" target="_blank">http://www.wien2k.at</a><br>
WWW: <a href="http://www.imc.tuwien.ac.at" rel="noreferrer noreferrer" target="_blank">http://www.imc.tuwien.ac.at</a><br>
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