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<p>The electric field response calculation did not converge. This
typically indicates a problem with your system (i.e. a metal
treated like an insulator).</p>
<p>kind regards<br>
</p>
<p><br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 10/31/23 13:16, Eesha Sanjay
Andharia wrote:<br>
</div>
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cite="mid:CO6PR04MB78911FE80B04AC8D87007391ABA0A@CO6PR04MB7891.namprd04.prod.outlook.com">
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Hi Lorenzo,</div>
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Sorry about that. PFA the output files.</div>
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<br>
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Best,</div>
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Eesha</div>
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<div id="divRplyFwdMsg" dir="ltr"><font style="font-size:11pt"
face="Calibri, sans-serif" color="#000000"><b>From:</b> users
<a class="moz-txt-link-rfc2396E" href="mailto:users-bounces@lists.quantum-espresso.org"><users-bounces@lists.quantum-espresso.org></a> on behalf of
Lorenzo Paulatto <a class="moz-txt-link-rfc2396E" href="mailto:lorenzo.paulatto@cnrs.fr"><lorenzo.paulatto@cnrs.fr></a><br>
<b>Sent:</b> Tuesday, October 31, 2023 6:10 AM<br>
<b>To:</b> <a class="moz-txt-link-abbreviated" href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a>
<a class="moz-txt-link-rfc2396E" href="mailto:users@lists.quantum-espresso.org"><users@lists.quantum-espresso.org></a><br>
<b>Subject:</b> Re: [QE-users] ph.x Not writing all the
dynamical matrices files</font>
<div> </div>
</div>
<div style="padding-bottom:1px">
<p>Dear Eesha,</p>
<p>you should provide the output as well, because nobody is
going to spend 15 minutes to rerun your calculations just to
find out what is going on.<br>
</p>
<p>kind regards<br>
</p>
<p><br>
</p>
<div class="x_moz-cite-prefix">On 10/31/23 10:58, Eesha Sanjay
Andharia wrote:<br>
</div>
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Hi everyone,</div>
<div class="x_elementToProof"
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I tried using ph.x with ldisp = true for calculating
phonon dispersion relations. See attached along with
pwscf.in file.</div>
<div class="x_elementToProof"
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However, it only writes dyn0 -a list of q-points and does
not calculate the dynamical matrices at those q-points. I
tried running using different versions and different
clusters as well, however, the output is the same. No .dyn
files.</div>
<div class="x_elementToProof"
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<br>
</div>
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Is there something wrong with my scf calculations? I cannot
pinpoint anything specific.</div>
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Or do we need to do gamma point and q not equal to 0
calculations before using ldisp = true?</div>
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Please help.</div>
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<br>
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Thanks!</div>
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Eesha</div>
<br>
<fieldset class="x_moz-mime-attachment-header"></fieldset>
<pre class="x_moz-quote-pre">_______________________________________________
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<div class="x_moz-signature">-- <br>
<small>Dr. Lorenzo Paulatto<br>
IdR @ IMPMC - CNRS UMR 7590 & Sorbonne Université<br>
phone: +33 (0)1 442 79822 / skype: paulatz<br>
<a href="http://www.impmc.upmc.fr/~paulatto/"
originalsrc="http://www.impmc.upmc.fr/~paulatto/"
shash="iWY0GFAqe0uce/5inaj3WC4OX2j0fs/qMMgbf2TdHWiCmO9rVEI8QCJbBOk4KwmnEt7rS8cwNmGcBR3JohqcbnbT/B4VcdSmoH/cXkYiEokXhpehi1SsVaLXx1YkAeH1UDCSubW3jCLMe3uTO6+JNgOVMi83LnJhwdmQR78l/jE="
class="x_moz-txt-link-freetext moz-txt-link-freetext"
moz-do-not-send="true">http://www.impmc.upmc.fr/~paulatto/</a>
- <a href="https://anharmonic.github.io/"
originalsrc="https://anharmonic.github.io/"
shash="Yb3kPBiy/z4PhLEMMBihaG4RNqPI816qA3b7UgUtJyscudBgLyL538pPcT13GeIordn5XRWzmZd1RW/1fnQPnh6/KbMtrMmxvalMv7+VkLbfUwfJwD34kCpMs3U1GwjXioDu1hV6+kmbuwWQ6NSBbnGxi+/poUcdbX0xWhdOjrA="
class="x_moz-txt-link-freetext moz-txt-link-freetext"
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https://anharmonic.github.io/</a><br>
23-24/423 B115, 4 place Jussieu 75252 Paris CX 05</small></div>
</div>
<br>
<fieldset class="moz-mime-attachment-header"></fieldset>
<pre class="moz-quote-pre" wrap="">_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
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>
</blockquote>
<div class="moz-signature">-- <br>
<small>Dr. Lorenzo Paulatto<br>
IdR @ IMPMC - CNRS UMR 7590 & Sorbonne Université<br>
phone: +33 (0)1 442 79822 / skype: paulatz<br>
<a href="http://www.impmc.upmc.fr/~paulatto/"
class="moz-txt-link-freetext">http://www.impmc.upmc.fr/~paulatto/</a>
- <a href="https://anharmonic.github.io/"
class="moz-txt-link-freetext">https://anharmonic.github.io/</a><br>
23-24/423 B115, 4 place Jussieu 75252 Paris CX 05<small></small></small></div>
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