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<p>I mean,</p>
<p>ecutwfc=1.0D-8</p>
<p>JC Conesa<br>
</p>
<div class="moz-cite-prefix">El 14/02/2021 a las 20:38, Paolo
Giannozzi escribió:<br>
</div>
<blockquote type="cite"
cite="mid:CAPMgbCur0cYrA=-kv-YEs4-SgTW3kqF4Z9gd6oywKmvwKG7P1A@mail.gmail.com">
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<div dir="ltr">"decreasing" ? <br>
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<br>
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<div dir="ltr" class="gmail_attr">On Sun, Feb 14, 2021 at 8:16
PM José Carlos Conesa Cegarra <<a
href="mailto:jcconesa@icp.csic.es" moz-do-not-send="true">jcconesa@icp.csic.es</a>>
wrote:<br>
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0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
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<p>Dear all,</p>
<p>Even decreasing ecutwfc by two orders of magnitude the
error remains the same. The PBE pseudopotentials are those
included in</p>
<p><a
href="https://www.materialscloud.org/discover/sssp/table/"
target="_blank" moz-do-not-send="true">https://www.materialscloud.org/discover/sssp/table/</a><br>
</p>
<div>Please help.<br>
<br>
-------- Mensaje reenviado --------
<table cellspacing="0" cellpadding="0" border="0">
<tbody>
<tr>
<th valign="BASELINE" nowrap="nowrap" align="RIGHT">Asunto:
</th>
<td>[QE-users] error with qe 6.5</td>
</tr>
<tr>
<th valign="BASELINE" nowrap="nowrap" align="RIGHT">Fecha:
</th>
<td>Fri, 12 Feb 2021 13:49:24 +0100</td>
</tr>
<tr>
<th valign="BASELINE" nowrap="nowrap" align="RIGHT">De:
</th>
<td>José Carlos Conesa Cegarra <a
href="mailto:jcconesa@icp.csic.es"
target="_blank" moz-do-not-send="true"><jcconesa@icp.csic.es></a></td>
</tr>
<tr>
<th valign="BASELINE" nowrap="nowrap" align="RIGHT">Responder
a: </th>
<td>Quantum ESPRESSO users Forum <a
href="mailto:users@lists.quantum-espresso.org"
target="_blank" moz-do-not-send="true"><users@lists.quantum-espresso.org></a></td>
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<th valign="BASELINE" nowrap="nowrap" align="RIGHT">Para:
</th>
<td>Quantum ESPRESSO users Forum <a
href="mailto:users@lists.quantum-espresso.org"
target="_blank" moz-do-not-send="true"><users@lists.quantum-espresso.org></a></td>
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<br>
<br>
Dear all,<br>
<br>
I have found (several times) this error with qe-6.5:<br>
<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
Error in routine allocate_fft (1):<br>
wrong ngm<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
<br>
stopping ...<br>
<br>
The input file is attached. Please help<br>
<br>
<pre>--
José C. Conesa
Research Professor
Instituto de Catálisis y Petroleoquímica, CSIC
Marie Curie, 2; Campus de Cantoblanco
28028 Madrid (Spain)
Phone +34 915854766
<pre>--
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_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a
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-- <br>
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<div>Paolo Giannozzi, Dip. Scienze Matematiche
Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
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<pre class="moz-quote-pre" wrap="">_______________________________________________
Quantum ESPRESSO is supported by MaX (<a class="moz-txt-link-abbreviated" href="http://www.max-centre.eu">www.max-centre.eu</a>)
users mailing list <a class="moz-txt-link-abbreviated" href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a>
<a class="moz-txt-link-freetext" href="https://lists.quantum-espresso.org/mailman/listinfo/users">https://lists.quantum-espresso.org/mailman/listinfo/users</a></pre>
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<pre class="moz-signature" cols="72">--
José C. Conesa
Research Professor
Instituto de Catálisis y Petroleoquímica, CSIC
Marie Curie, 2; Campus de Cantoblanco
28028 Madrid (Spain)
Phone +34 915854766</pre>
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