<div dir="ltr">Hi Professor,<div><br></div><div>Thank you for your reply. I followed your suggested path and it works now. </div><div><br></div><div>Best</div><div>Hasan</div><div><br></div><div><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Oct 31, 2024 at 5:40 AM Lorenzo Paulatto <<a href="mailto:lorenzo.paulatto@cnrs.fr">lorenzo.paulatto@cnrs.fr</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><u></u>
<div style="padding-bottom:1px">
<div><span style="font-family:monospace">Errata,
I put K in the wrong place:<br>
</span></div>
<div><span style="font-family:monospace"> <br>
</span></div>
<div><span style="font-family:monospace">0.0000000000
0.0000000000 0.0000000000 Γ <br>
1.0000000000 0.0000000000 0.0000000000 X </span></div>
<span style="font-family:monospace">1.0000000000 1.0000000000
0.0000000000 X </span><br>
<div>
<div><span style="font-family:monospace">
-- k is somewhere here --<br>
</span></div>
<span style="font-family:monospace">0.0000000000 0.0000000000
0.0000000000 Γ <br>
0.5000000000 0.5000000000 0.5000000000 L<br>
</span></div>
<p></p>
<p><br>
</p>
<p><br>
</p>
<blockquote type="cite">
<p><span style="font-family:monospace"></span></p>
<div>(again in units of 2pi/alat<span style="font-family:monospace">) The path is simply:<br>
</span></div>
<span style="font-family:monospace"><span style="color:rgb(0,0,0);background-color:rgb(255,255,255)"></span></span><br>
<div><span style="font-family:monospace">
<br>
</span></div>
<div>hth</div>
<div><br>
</div>
<div>p.s. I.e. as Stefano said.<br>
</div>
<div><br>
</div>
<div>On 30/10/2024 19:34, Md. Jahid Hasan
Sagor wrote:<br>
</div>
<blockquote type="cite">
<div dir="ltr">
<div dir="ltr">Hi,</div>
<div dir="ltr"><br>
</div>
<div dir="ltr">I calculated phonon dispersion and compared it
with other studies. However, dispersion is matched with
every k direction except X-K. Would you please tell me how
to solve the issue? Should I use a different
pseudopotential? I am sharing here the d<span style="white-space:pre-wrap">org/mailman/listinfo/users</span></div>
</div>
</blockquote>
<div>-- <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/" target="_blank">http://www.impmc.upmc.fr/~paulatto/</a>
- <a href="https://anharmonic.github.io/" target="_blank">https://anharmonic.github.io/</a><br>
23-24/423 B115, 4 place Jussieu 75252 Paris CX 05</small></div>
<u></u><u></u>
<br>
<fieldset></fieldset>
<pre>_______________________________________________
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 href="http://www.max-centre.eu" target="_blank">www.max-centre.eu</a>)
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></pre>
</blockquote>
<div>-- <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/" target="_blank">http://www.impmc.upmc.fr/~paulatto/</a>
- <a href="https://anharmonic.github.io/" target="_blank">https://anharmonic.github.io/</a><br>
23-24/423 B115, 4 place Jussieu 75252 Paris CX 05<small></small></small></div>
</div>
_______________________________________________<br>
The Quantum ESPRESSO community stands by the Ukrainian<br>
people and expresses its concerns about the devastating<br>
effects that the Russian military offensive has on their<br>
country and on the free and peaceful scientific, cultural,<br>
and economic cooperation amongst peoples<br>
_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu" rel="noreferrer" target="_blank">www.max-centre.eu</a>)<br>
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div>