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<div class="moz-cite-prefix">On 05/04/2013 07:37 AM, koushik pal
wrote:<br>
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<div>I am not sure about <b>"kpoint=1"</b> because in
the scf output file "kpoint=1" means the \Gamma
point. <br>
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If you use an automatically-generated NON-SHIFTED grid, than the
Gamma point is normally the first one in the list. <br>
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But I cannot be sure either: I have not seen your input nor your
output file. <br>
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best regards<br>
<pre class="moz-signature" cols="72">--
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone:+33 (0)1 44275 084 / 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: 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 5</pre>
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