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<font face="Times New Roman">I don't know everything about SO. You
can read more about the EFG-MATRIX is a NULLMATRIX error in the
posts at:<br>
<br>
</font><font face="Times New Roman"><a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg03446.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg03446.html</a></font><br>
<font face="Times New Roman"><a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg04411.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg04411.html</a><br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06048.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06048.html</a><br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09677.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09677.html</a><br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05035.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05035.html</a><br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg04409.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg04409.html</a><br>
</font><br>
This error is in WIEN2k 13.1, right? Does it happen in WIEN2k 17.1?
On the updates page [
<a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/updates/">http://susi.theochem.tuwien.ac.at/reg_user/updates/</a> ], you can see
changes such as to init_so_lapw, make_inso_lapw, SRC_lapwso, and
SRC_symmetso since WIEN2k 13.1. It may be that 17.1 already has a
fix that will resolve this error.<br>
<br>
The Error in Parallel LAPW2 might just be a result of the lapw0
error.<br>
<br>
<div class="moz-cite-prefix">On 9/19/2017 8:40 PM, venkatesh
chandragiri wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CACS+pXOfTd1+xN7WBhXhQQfNq_maKZS6dQff=LSEoH-3QoK_AA@mail.gmail.com">
<div dir="ltr">
<div>Dear Prof. Victor and Prof. Gavin,</div>
<div><br>
</div>
<div>thanks for your reply. The script sent by Prof. Gavin works
fine. I just kept , editor ="noeditor" in my .bashrc file.
Now the editor is not opening. However, while running this
script there was error as given below (although it is not
connected with the error in the script write-up).</div>
<div><br>
</div>
<div>==========================</div>
<div><br>
</div>
<div>> lapw2 -up -p -c -so (10:13:36) running LAPW2
in parallel mode<br>
** LAPW2 crashed!<br>
0.232u 0.242s 0:00.54 87.0% 0+0k 0+392io 0pf+0w<br>
error: command /public/home/venkatesh/WIEN2k/lapw2cpara -up
-c -so uplapw2.def failed</div>
<div>> stop error</div>
<div><br>
</div>
<div>============================</div>
<div><br>
</div>
<div>uplapw2.error</div>
<div><br>
</div>
<div>=============================================</div>
<div><br>
</div>
<div>'FERMI5' - emax too low in vector-file<br>
** testerror: Error in Parallel LAPW2</div>
<div><br>
</div>
<div>=============================================</div>
<div><br>
</div>
<div>The case.dayfile at the earlier shows</div>
<div><br>
</div>
<div>==============================</div>
<div><br>
</div>
<div>> lapw0 -p (10:12:50) starting parallel lapw0 at
Wed Sep 20 10:12:50 CST 2017<br>
-------- .machine0 : processors<br>
running lapw0 in single mode<br>
WARNING: The EFG-MATRIX is a NULLMATRIX !<br>
WARNING: The EFG-MATRIX is a NULLMATRIX !</div>
<div><br>
</div>
<div>=============================================</div>
<div><br>
</div>
<div>I am using k-point parallization to run soc calcualtions <br>
</div>
<div><br>
</div>
<div>The SOC calculations for single M-axis works well through
regular procedure (200 axis). However, when I used the script
to run for i3 {200,201,202,103}, the above error appears for
all cases.</div>
<div><br>
</div>
<div>Kindly suggest me the possible reason for this error </div>
<div><br>
</div>
<div>thanking you </div>
<div><br>
</div>
<div>with best regards,</div>
<div><br>
</div>
<div>venkatesh<br>
</div>
</div>
</blockquote>
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