[QE-users] wrong celldm(3) with ibrav -13 in phonon
Pietro Delugas
pdelugas at sissa.it
Tue Aug 4 21:29:38 CEST 2020
Yes in principle yes, the error is caused by pw.x writing the wrong structural information.
I would rather have a look to this previous post in the mailing list though
https://www.mail-archive.com/users@lists.quantum-espresso.org/msg37982.html
even more if it is an heavy calculation …
Pietro
Sent from Mail for Windows 10
From: Zeeshan Ahmad
Sent: Tuesday, August 4, 2020 9:15 PM
To: users at lists.quantum-espresso.org
Subject: Re: [QE-users] wrong celldm(3) with ibrav -13 in phonon
Hi Pietro,
I built the q2r.x executable using the tar file you linked and also the develop version. In both cases, I got the same error again. Do I have to run the pw.x and ph.x again to avoid the error?
Thanks,
-Zeeshan
--
Zeeshan Ahmad
PhD candidate, Mechanical Engineering
Carnegie Mellon University
https://www.andrew.cmu.edu/~azeeshan/
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