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<div class="moz-cite-prefix">On 1/30/23 05:46, SPPU/05097P/2021
OYOMO BILL C wrote:<br>
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<blockquote type="cite"
cite="mid:CACqmwSnkObR+a8=vWscxtt_1h7Gw7wzxxbYWFzrQmLsQreusbA@mail.gmail.com">
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<p style="color:rgb(80,0,80)"><font size="6" face="Times New
Roman, Times, serif"><span
style="color:rgb(34,34,34);font-size:small">Hello ,<br>
</span></font></p>
<p style="color:rgb(80,0,80)"><span
style="color:rgb(17,17,17);font-family:Roboto,Arial,sans-serif;font-size:14px">When
I run ph. x, it generates 4 q-points, and in the output, I
have only dyn0, dyn1, dyn3 and dyn4. My request is to
suggest a way to go out of this problem so that I can obtain
all </span>complete 8 q-points from the reduced number of
q-points. How do I use the <font size="6" face="Times New
Roman, Times, serif"><span
style="color:rgb(34,34,34);font-size:small"> q2qstqr.x
executable to do this? <br>
</span></font></p>
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<p><br>
</p>
<p>In a normal phonon calculation, all the points are generated.
Each dynamical matrix file contains all the q-point that form a
star (i.e. more than one, just scroll down). Using q2qstar is only
necessary if for some reason you only have one q-point, in this
case the syntax is</p>
<p><span style="font-family:monospace"><span
style="color:#000000;background-color:#ffffff;">q2qstar.x
dynfile</span><br>
</span></p>
<p>hth<br>
</p>
<p><br>
</p>
<blockquote type="cite"
cite="mid:CACqmwSnkObR+a8=vWscxtt_1h7Gw7wzxxbYWFzrQmLsQreusbA@mail.gmail.com"><br>
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<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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