<div dir="ltr"><div class="gmail_default" style="color:#0000ff">Hi,</div><div class="gmail_default" style="color:#0000ff">the following link will useful.</div><div class="gmail_default" style="color:#0000ff"><br></div><div class="gmail_default" style="color:#0000ff"><a href="https://www.mail-archive.com/search?q=Error+while+running+band+structure+SP%2BSO+case+in+parallel&l=wien%40zeus.theochem.tuwien.ac.at">https://www.mail-archive.com/search?q=Error+while+running+band+structure+SP%2BSO+case+in+parallel&l=wien%40zeus.theochem.tuwien.ac.at</a><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Apr 16, 2019 at 10:14 AM Gavin Abo <<a href="mailto:gsabo@crimson.ua.edu">gsabo@crimson.ua.edu</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">Sorry, too busy at the moment to search in the mailing list archive <br>
using the search box to find where it likely was previously posted at:<br>
<br>
<a href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/maillist.html" rel="noreferrer" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/maillist.html</a><br>
<br>
Check w2web, the :log or .dayfile from the scf to get an idea of <br>
commands needed:<br>
<br>
<a href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06561.html" rel="noreferrer" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06561.html</a><br>
<br>
The DFT+SO should be similar to the DFT+SO+U, but you need to drop the <br>
-orb.  Refer for example to:<br>
<br>
<a href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17735.html" rel="noreferrer" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17735.html</a><br>
<br>
On 4/15/2019 10:13 PM, Karthika Menon wrote:<br>
> Dear forum,<br>
><br>
> I am new to WIEN2k . Kindly let me know the procedure (sequence of <br>
> commands) for obtaining the band structure with SOC for spin polarised <br>
> case.<br>
><br>
> Thanks<br>
> Karthika Menon<br>
> Research Scholar,<br>
> Department of Physics,<br>
> Indian Institute of Technology Hyderabad -502285<br>
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</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><i>P.V.SREENIVASA REDDY</i></div><div><i>Post Doctoral Research Fellow</i></div><div><i>Department of Physics, </i></div><div><i>Physics Building 2,</i></div><div><i>NCKU, Tainan, Taiwan</i></div></div></div>