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<p>Does your structure for this SO+U case allow a shifted k-mesh
[1]? If so, make sure during "x kgen" that you selected the
non-shifted k-mesh as the XCrySDen website [2] says:<br>
</p>
"File-->Open WIEN2k ...-->Fermi Surface Pops-up a task window
for Fermi surface creation. After several steps the Fermi surface is
hopefully drawn as 3D isosurface. <font color="#ff0000">This
feature is EXPERIMENTAL, please be careful !!! So far it was
tested on a few spin non-polarized and spin-polarized systems.
(Currently the <b>shift of the k-mesh is not allowed</b>.)<font
color="#000000">"</font></font><br>
<br>
As I recall, serial case.outputso file used with the XCrySDen fermi
surface program ran fine [3]. So likely it will run fine too when
the parallel outputso files are combined:<br>
<br>
cat case.outputso_1 case.outputso_2 ... > case.output1up<br>
<br>
Previously, you mentioned that SO (without U) ran fine. I would
anticipate differences in values in the files, but likely formatting
of the files would be the same. Have you compared the formatting of
case.output1up file between the SO (without U) and SO+U
calculations. Any differences?<br>
<br>
XCrySDen 1.5.60 might have to patched if you are using too many
k-points or bands [5, 6].<br>
<br>
Any error messages in the file case.outputbaup?<br>
<br>
If you need further help, can you send a link to the SO+U files for
the case below to the mailing list (or to my personal email)? I
believe at least the files case.struct, case.klist, case.clmdn,
case.outputkgen, and case.output1up are needed to open and execute
"Render Fermi Surface" in XCrySDen.<br>
<br>
[1] <a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/faq/kgen.html">http://susi.theochem.tuwien.ac.at/reg_user/faq/kgen.html</a><br>
[2] <a class="moz-txt-link-freetext" href="http://www.xcrysden.org/doc/wien.html#fermi">http://www.xcrysden.org/doc/wien.html#fermi</a><br>
[3]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg02058.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg02058.html</a><br>
[4]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17831.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17831.html</a><br>
[5]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15219.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15219.html</a><br>
[6]
<a class="moz-txt-link-freetext" href="http://www.democritos.it/pipermail/xcrysden/2015-October/001753.html">http://www.democritos.it/pipermail/xcrysden/2015-October/001753.html</a><br>
<br>
<div class="moz-cite-prefix">On 8/13/2018 11:14 AM, Anup Shakya
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAMp+1sOi1Xg3xjZbbxYyj3aeDS7x8HaR=5uCUb2N3fiFuB70nA@mail.gmail.com">
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<div>Dear Prof. Blaha, <br>
</div>
<div><br>
</div>
<div>Sorry to disturb you again. I have followed all the steps
as suggested by you. <br>
</div>
<div><br>
</div>
<div>
<div>x lapw1 -up -p</div>
<div>x lapw1 -dn -p</div>
<span class="gmail-im">
<div>x lapwso -orb -up -p</div>
<div><br>
</div>
</span>I have concatenated all the case.output files into a
single file case.output1up <br>
</div>
<div>then performed x lapw2 -so -fermi -up -p, opened xcrysden
and clicked Render Fermi surface. I still get an error</div>
<div><br>
</div>
<div>ERROR: while executing exec/usr/lib/xcrysden/wn_readbakgen
bakgen.def<br>
</div>
<div><br>
</div>
<div>I created a new directory and performed the calculations
from scratch again but still the error persists. I have done
non magnetic GGA+SOC+U calculations. Does the command change
for this type of calculations. <br>
</div>
<div><br>
</div>
<div><br>
</div>
I would be grateful to you if you could suggest me where I went
wrong. I did search the previous posts but its not helpful for
this problem.<br>
<div>
<div><br>
</div>
<div>
<div class="gmail_signature"
data-smartmail="gmail_signature">
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<div>
<div dir="ltr">
<div dir="ltr" style="font-size:12.8px"><font
color="#333333"><font face="tahoma, sans-serif">Anup
Pradhan Sakhya</font></font></div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</blockquote>
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