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Hi Lorenzo,</div>
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Sorry about that. PFA the output files.</div>
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Best,</div>
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Eesha</div>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of Lorenzo Paulatto <lorenzo.paulatto@cnrs.fr><br>
<b>Sent:</b> Tuesday, October 31, 2023 6:10 AM<br>
<b>To:</b> users@lists.quantum-espresso.org <users@lists.quantum-espresso.org><br>
<b>Subject:</b> Re: [QE-users] ph.x Not writing all the dynamical matrices files</font>
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<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>
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<p>kind regards<br>
</p>
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</p>
<div class="x_moz-cite-prefix">On 10/31/23 10:58, Eesha Sanjay Andharia wrote:<br>
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Hi everyone,</div>
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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>
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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>
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<br>
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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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Thanks!</div>
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Eesha</div>
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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">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">
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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