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<p style="margin-top:0;margin-bottom:0">Thank you for the quick response.</p>
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<p style="margin-top:0;margin-bottom:0">But wouldn't <span>lshift_q = .false.</span> cause problems with the
<span>optimized tetrahedron method?</span></p>
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</span></p>
<p style="margin-top:0;margin-bottom:0"><span>- Craig Tenney</span><br>
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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 Mitsuaki Kawamura <mkawamura@issp.u-tokyo.ac.jp><br>
<b>Sent:</b> Wednesday, March 14, 2018 1:11:44 AM<br>
<b>To:</b> 'Quantum Espresso users Forum'<br>
<b>Subject:</b> Re: [QE-users] Calculating phonon dispersions with the tetrahedron method</font>
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<div class="BodyFragment"><font size="2"><span style="font-size:11pt;">
<div class="PlainText">Dear Craig<br>
<br>
Hello,<br>
<br>
Please specify<br>
lshift_q = .False.<br>
in the ph.x input.<br>
<br>
Best regards,<br>
Mitsuaki Kwamura<br>
<br>
--<br>
------------------------------------------------------<br>
Dr. Mitsuaki Kawamura<br>
Software Advancement Team<br>
Supercomputer Section<br>
Materials Design and Characterization Laboratory<br>
The Institute for Solid State Physics, Kashiwa, Japan<br>
e-mail : mkawamura@issp.u-tokyo.ac.jp<br>
------------------------------------------------------<br>
<br>
From: users <users-bounces@lists.quantum-espresso.org> On Behalf Of Tenney,<br>
Craig Michael<br>
Sent: Wednesday, March 14, 2018 7:23 AM<br>
To: users@lists.quantum-espresso.org<br>
Subject: [QE-users] Calculating phonon dispersions with the tetrahedron<br>
method<br>
<br>
Dear Users,<br>
<br>
When using the new tetrahedron method for electron-phonon calculations, you<br>
get the message:<br>
<br>
"Because shifted q grid is used, q2r will not work !"<br>
<br>
To calculate phonon dispersions, one usually uses the .fc and .freq files<br>
produced by q2r.x and matdyn.x.<br>
<br>
Is there any other options to get dispersions using the tetrahedron method?<br>
<br>
Other then the two options of rerunning the electron-phonon calculations<br>
with out the tetrahedron method, or attempting ones own dispersion.<br>
<br>
Thank you,<br>
<br>
----<br>
Craig Tenney<br>
Graduate Student<br>
Washington State University<br>
<a href="mailto:craig.tenney@wsu.edu">mailto:craig.tenney@wsu.edu</a><br>
<br>
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