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<p>Dear Bill,</p>
<p>each file can contain one or more dynamical matrices, if they are
linked by a symmetry operation. Just scroll down. </p>
<p>Using q2qstar is only necessary if you did the ph calculation at
a given q-point without symmetry, and want to recover the star </p>
<p>hth</p>
<p><br>
</p>
<p>afterwards.<br>
</p>
<div class="moz-cite-prefix">On 28/08/2025 12:20, SPPU/05097P/2021
OYOMO BILL C wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CACqmwSnr=b4_egUZ8ZoukJ1LfOGoncrT=MaoNviqkUk-u54S_w@mail.gmail.com">
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
<div dir="ltr">Dear all,
<div>I have performed phonon calculation using the ph.x
executable using a 3x3x2 q-point grid. I would like to get all
the 18 dynamical matrix files required by an external code
(phq) to obtain the high-temperature phonon dispersion. </div>
<div>QE outputs fewer dynamical matrix files (8) than this
number because it is greatly reduced by symmetry. I have
turned off symmetry in my SCF input file, but I have only
obtained 10 dynamical matrix files, an improvement by 2. How
can I use the q2qstar.x executable provided in the QE package
to obtain all the complete q-points from the reduced number of
q-points? Or is there another way to get the complete files
for all the q-points?</div>
<div>Any help with this would be much appreciated.</div>
<div>Best regards,</div>
<div>Bill.</div>
</div>
<br>
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<div class="moz-signature">-- <br>
<small>Dr. Lorenzo Paulatto<br>
IR IMPMC - CNRS UMR 7590 / Sorbonne Université / MNHN <br>
phone: +33 (0)1 442 79822 / telegram: lpaulatto<br>
<a href="http://www.impmc.upmc.fr/~paulatto/"
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