[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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