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<p>The number of bands used is also printed on output as "Number of
Kohn-Sham states", setting spin=1 or spin=2 does not change the
number of bands, as the code uses an equivalent trick to double
the number of k-points.</p>
<p><br>
</p>
<br>
<div class="moz-cite-prefix">On 01/09/17 13:26, Omamuyovwi Akemu
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:145155196.1071558.1504265204406@mail.yahoo.com">
<div style="color:#000; background-color:#fff;
font-family:Helvetica Neue, Helvetica, Arial, Lucida Grande,
sans-serif;font-size:13px">
<div id="yui_3_16_0_1_1504264965182_2595">Choose a suitable
value for nbnd.</div>
<div id="yui_3_16_0_1_1504264965182_2594"><br>
</div>
<div id="yui_3_16_0_1_1504264965182_2550">Go to the scf output,
look out for the number of electrons.</div>
<div id="yui_3_16_0_1_1504264965182_2563"><br>
</div>
<div dir="ltr" id="yui_3_16_0_1_1504264965182_2593">nbnd > or
= number of electrons divided by 2.<br>
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</blockquote>
<br>
<pre class="moz-signature" cols="72">--
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 442 79822 / skype: paulatz
www: <a class="moz-txt-link-freetext" href="http://www-int.impmc.upmc.fr/~paulatto/">http://www-int.impmc.upmc.fr/~paulatto/</a>
mail: 23-24/423 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05</pre>
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