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<p>Use the following information to check whether the Gamma point is
included in the k-mesh or not.<br>
</p>
<p>For how k is defined in case.klist_band, refer to the following
link and referenced links therein:<br>
</p>
<p><a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2015-June/022994.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2015-June/022994.html</a><br>
</p>
<p>For how k is defined in case.spaghetti_ene:<br>
</p>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05273.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05273.html</a><br>
<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg00803.html">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg00803.html</a><br>
<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2007-August/009659.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2007-August/009659.html</a><br>
<p>Or for how k is defined in case.bands.agr:<br>
</p>
<p><a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15258.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15258.html</a><br>
</p>
<p>Gamma is a special point and is usually the k-vector (0,0,0) at
the center of the cell [1,2]. <br>
</p>
<p>In Bilbao Crystallographic Server, Gamma has the label GM and
KVEC [3] can be helpful in that it should give what the special k
points are for each space group.<br>
</p>
[1] <a class="moz-txt-link-freetext" href="http://www.iue.tuwien.ac.at/phd/dhar/node18.html">http://www.iue.tuwien.ac.at/phd/dhar/node18.html</a><br>
[2]
<a class="moz-txt-link-freetext" href="https://www.tf.uni-kiel.de/matwis/amat/semi_en/kap_2/backbone/r2_1_5.html">https://www.tf.uni-kiel.de/matwis/amat/semi_en/kap_2/backbone/r2_1_5.html</a><br>
<div class="moz-cite-prefix">[3]
<a class="moz-txt-link-freetext" href="https://www.cryst.ehu.es/cryst/get_kvec.html">https://www.cryst.ehu.es/cryst/get_kvec.html</a></div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">On 12/23/2019 5:57 PM, Peeyush kumar
kamlesh wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CA+o1xQdNdyBFrQSToVDsHNKFjA4pX25RU+tOSVudCAyTMJRu2A@mail.gmail.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
<div dir="ltr">Hello Gavin Sir and Blaha Sir,
<div>Thank you so much for the valuable information.<br>
<div><font face="arial, sans-serif">Yes, I used full <span
style="color:rgb(0,0,0)">convergence tests package for
kpt convergence. And i did not use run_kgenhf_lapw for
scf calculations in this package. Also there is no
feature to run hf calculations. For bandstructure I a
using k-mash of (8x8x8) points.</span></font></div>
</div>
<div><font face="arial, sans-serif"><span
style="color:rgb(0,0,0)">Also I did not used shifted
k-mash. i used the same to calculate bandstructure.</span></font></div>
<div><font face="arial, sans-serif"><span
style="color:rgb(0,0,0)">But I am unable to understand
that how can we check whether gamma point is included in
k-mesh or not?</span></font></div>
</div>
</blockquote>
<br>
<blockquote type="cite"
cite="mid:CA+o1xQdNdyBFrQSToVDsHNKFjA4pX25RU+tOSVudCAyTMJRu2A@mail.gmail.com"></blockquote>
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