<p dir="ltr">Dear Gavin,</p>
<p dir="ltr">I like the idea of a patch directory. You are creating them from the files?</p>
<p dir="ltr">---<br>
Professor Laurence Marks<br>
Department of Materials Science and Engineering<br>
Northwestern University<br>
<a href="http://www.numis.northwestern.edu">http://www.numis.northwestern.edu</a><br>
Corrosion in 4D <a href="http://MURI4D.numis.northwestern.edu">http://MURI4D.numis.northwestern.edu</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</p>
<div class="gmail_quote">On Jul 6, 2015 19:19, "Gavin Abo" <<a href="mailto:gsabo@crimson.ua.edu">gsabo@crimson.ua.edu</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">



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<div>Did you apply the source code fix to symmetso's clmchange.f of WIEN2k 14.2 and accept the new structure generated by symmetso during initso [
<a href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg12523.html" target="_blank">
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg12523.html</a> ]?<br>
<br>
There is clmchange.f at:<br>
<br>
<a href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg12361.html" target="_blank">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg12361.html</a><br>
<br>
or you might be interested in using clmchange.patch instead at:<br>
<br>
<a href="https://github.com/gsabo/WIEN2k-Patches/tree/master/14.2" target="_blank">https://github.com/gsabo/WIEN2k-Patches/tree/master/14.2</a><br>
<br>
(click "WIEN2k-Patches" link, then "Download ZIP" button)<br>
<br>
On 7/6/2015 4:05 AM, <a href="mailto:rahnama@hsu.ac.ir" target="_blank">
rahnama@hsu.ac.ir</a> wrote:<br>
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<pre style="font-family:courier,'courier new',monospace;font-size:14px;white-space:pre-wrap;word-wrap:break-word;margin:0px;color:#000000;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:19.6000003814697px;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;background-color:#ffffff">Dear Wien2k users,
I tried to run GGA+U calculation with structure of EuFe4Sb12. I am having problem at the lapwdm step when both -so and -orb are turned on(Error in LAPW2DM). Also,There is not any errors if I run with only the -orb option (no spin-orbit coupling)or visa versa.
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<pre style="font-family:courier,'courier new',monospace;font-size:14px;white-space:pre-wrap;word-wrap:break-word;margin:0px;color:#000000;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:19.6000003814697px;text-align:start;text-indent:0px;text-transform:none;word-spacing:0px;background-color:#ffffff">Your guidance to solve this problem will be greatly appreciated.
Yours,
Hossein</pre>
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