<div dir="ltr"><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000">Volume optimization with SOC should work -- force optimization does not.</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, Nov 6, 2019 at 10:45 AM prasad jayasena <<a href="mailto:prasad.j86@yahoo.com">prasad.j86@yahoo.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Dear wien2k community<br>
<br>
Is it possible to do a volume optimization with SOC added? I tried adding -so in the optimize.job , but it crashed.<br>
<br>
Thank you<br>
<br>
Prasad<br>
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</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr">Professor Laurence Marks<br>Department of Materials Science and Engineering<br>Northwestern University<br><a href="http://www.numis.northwestern.edu/" target="_blank">www.numis.northwestern.edu</a><div>Corrosion in 4D: <a href="http://www.numis.northwestern.edu/MURI" target="_blank">www.numis.northwestern.edu/MURI</a><br>Co-Editor, Acta Cryst A<br>"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>Albert Szent-Gyorgi</div></div></div>