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It's hard to say because any error message that could have been
present in the output was not included in nscf.out.<br>
<br>
My bet is that you just run out of time, the last k-point that you
compute arrives at 28624.6 secs, which is almost exactly 8 hours.<br>
<br>
kind regards<br>
<br>
<br>
<div class="moz-cite-prefix">On 07/25/2014 12:58 PM, fataneh bostan
afroz wrote:<br>
</div>
<blockquote
cite="mid:CA+ObukQq+k_GE7n=1BqMjKx-usyYjYUvcN9YEo091ntqfUN4Rw@mail.gmail.com"
type="cite">
<pre wrap="">Dear
I want to calculate optic properties of ZnO bulk using quantum
espresso .The papers reported to need many k-points (50* 50 *31) for
calculation optic properties of ZnO bulk .I calculate nscf using 27*
27*18 k_point and calculate epsilon.x. But chart is not corresponding
of other papers ( using other cods) .
I use 36*36*27 kpoint , but nscf stops on Computing kpt #: 19459
Pleas guide me
Thank you
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<pre class="moz-signature" cols="72">--
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
+33 (0)1 44 275 084 / skype: paulatz
<a class="moz-txt-link-freetext" href="http://www.impmc.upmc.fr/~paulatto/">http://www.impmc.upmc.fr/~paulatto/</a>
23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05</pre>
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