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<p>I'm not an expert on hf calculations, but the WIEN2k 19.1 (19.2)
UG [1] has on page 53 under Spin-orbit coupling has:<br>
</p>
<p>run(sp)lapw <font color="#0000ff">-hf</font> <font
color="#ff8000">-so</font>...<br>
</p>
<p>I'm not seeing your command with the combined "<font
color="#0000ff">-hf</font> <font color="#ff8000">-so</font>"
options like in the UG and post at [2].<br>
</p>
[1] <a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/textbooks/usersguide.pdf">http://www.wien2k.at/reg_user/textbooks/usersguide.pdf</a><br>
[2]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18305.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18305.html</a><br>
<div class="moz-cite-prefix"><br>
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<div class="moz-cite-prefix">On 3/16/2021 5:48 PM, Tarek Hammad
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:AM5PR10MB1809978254097EF69B139608F56B9@AM5PR10MB1809.EURPRD10.PROD.OUTLOOK.COM">Dear
Wien2k team and developers
<br>
<br>
I would like to run SO + hf calculations for semiconducting
material , so, I ask about the steps of computations
<br>
<br>
For instance:
<br>
<br>
it could be
<br>
<br>
1- Normal PBE initialization and scf run.
<br>
<br>
2- Initi_so
<br>
<br>
3- run_lapw -so
<br>
<br>
4- init_lapw -hf
<br>
<br>
5- run_lapw <font color="#0000ff">-hf
</font><br>
<br>
Thanks a lot for your help.
<br>
<br>
Kind regards
<br>
<br>
Dr. Tarek Hammad.
<br>
</blockquote>
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