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<div class="msgHead"> Hello,<br>
<br>
I am writing in reference to an issue previously raised that I too
have encountered. At the moment, on both Wien2k v14 and v13,
running x lapw2 -almd -band is unsuccessful with the following
error:<br>
<pre>> Error in LAPW2
> 'FERMI' - number of k-points inconsistent when reading kgen
> 'FERMI' - check IN1 and KGEN files!
</pre>
This step is necessary to run dmftproj -band.<br>
<br>
However, if I manually modify the case.in2 file after x lapw1
-band has completed and replace TETRA with ROOT and TOT with QTL,
following the recommendation in the message below (sorry, I could
not reply to the thread message), x lapw2 -almd -band runs
successfully.<br>
<br>
Perhaps you could make the necessary modifications in the lapw2
script such that both options (-almd and -band) can be passed
together for the next release?<br>
<br>
Best wishes,<br>
Priyanka Seth<br>
--- <br>
<br>
<span class="subject"><a
href="http://www.mail-archive.com/search?l=wien@zeus.theochem.tuwien.ac.at&q=subject:%22%5BWien%5D+lapw2+error.%22&o=newest"
rel="nofollow"><span itemprop="name">[Wien] lapw2 error.</span></a></span>
<br>
<br>
<span class="sender pipe"><a
href="http://www.mail-archive.com/search?l=wien@zeus.theochem.tuwien.ac.at&q=from:%22Peter+Blaha%22"
rel="nofollow"><span itemprop="author" itemscope=""
itemtype="http://schema.org/Person"><span itemprop="name">Peter
Blaha</span></span></a></span> <span class="date"><a
href="http://www.mail-archive.com/search?l=wien@zeus.theochem.tuwien.ac.at&q=date:20121112"
rel="nofollow"><span itemprop="datePublished"
content="2012-11-12T00:10:41-0800">Mon, 12 Nov 2012 09:10:41
+0100</span></a></span> <br>
</div>
<pre>I don't know if -almd and -band works properly together. Never tried.
In any case, check your lapw2.def and case.in2(c) file. The "-band" option
should change TETRA to ROOT and ALSO set QTL (instead of TOT or FOR) in
case.in2.</pre>
<pre>If the "Fermi-method is still TETRA, it stops since it finds out that
you bandstructure-kmesh is of course incompatible with TETRA.
</pre>
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