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<p><font face="Times New Roman">From WIEN2k 18.2 UG page 126:</font></p>
<p>WFFIL: standard option, writes wave functions to file case.vector
(needed in lapw2)<br>
SUPWF: suppresses wave function calculation (faster for testing
eigenvalues only)<br>
WFPRI: prints eigenvectors to case.output1 and writes case.vector
(produces long outputs!)<br>
</p>
With SUPWF from above, it looks like case.vector* files are not
written by lapw1 unless WFFIL or WFPRI are used instead. Since
Table 4.3 shows case.vector* files are required for lapwso, it may
be that you cannot workaround not using them.<br>
<br>
As far as I know, there is no built in WIEN2k program to combine the
.output* files. That is why the multiple recent and past posts
about it, such as:<br>
<br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17847.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17847.html</a><br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17829.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17829.html</a><br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg00508.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg00508.html</a><br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg02057.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg02057.html</a><br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg02055.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg02055.html</a>
(awk)<br>
<a class="moz-txt-link-freetext" href="http://www.democritos.it/pipermail/xcrysden/2015-September/001731.html">http://www.democritos.it/pipermail/xcrysden/2015-September/001731.html</a><br>
<a class="moz-txt-link-freetext" href="http://www.democritos.it/pipermail/xcrysden/2015-December/001788.html">http://www.democritos.it/pipermail/xcrysden/2015-December/001788.html</a><br>
<br>
Though, I don't see why you couldn't automate it yourself either
using a job script (e.g., by adding the "cat case.outputso_1* >
case.output1up" to it), by writing your own script (e.g., bash
script containing your run[sp]_lapw and "cat case.outputso_1* >
case.output1up" commands), or by modifying the WIEN2k source code.<br>
<br>
<div class="moz-cite-prefix">On 8/18/2018 5:07 AM, pluto wrote:<br>
</div>
<blockquote type="cite"
cite="mid:2a0004d756a1dec5daa8b75c27e44a3f@physics.ucdavis.edu">Dear
All, dear Prof. Blaha,
<br>
<br>
I used SUPWF in case.in1c to limit the size of output files.
<br>
<br>
Then I used:
<br>
<br>
x lapw1 -band -up -p -c
<br>
x lapw1 -band -dn -p -c
<br>
x lapwso -up -p -c
<br>
<br>
There are no errors, but lapwso does not seem to calculate
eigenvalues.
<br>
<br>
I use 4 parallel cores, so I have 4 output files. Output files
without SOC look OK, they contain eigenvalues (files
case.output1up_1 to 4, same for dn). But SOC output files
(outputso_1 to 4) do not contain any eigenvalues, and I don't see
any other output files.
<br>
<br>
Am I doing something wrong? Manual in Table 4.3 says that lapwso
needs vector files, which are of course missing here. Is there a
way out?
<br>
<br>
Also, is there a way to automatically "glue" output files to have
just one large output file?
<br>
<br>
Best,
<br>
Lukasz</blockquote>
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