[QE-users] ph.x Not writing all the dynamical matrices files

[Eesha Sanjay Andharia]

Hi Lorenzo,
   Sorry about that. PFA the output files.

Best,
Eesha
________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of Lorenzo Paulatto <lorenzo.paulatto at cnrs.fr>
Sent: Tuesday, October 31, 2023 6:10 AM
To: users at lists.quantum-espresso.org <users at lists.quantum-espresso.org>
Subject: Re: [QE-users] ph.x Not writing all the dynamical matrices files


Dear Eesha,

you should provide the output as well, because nobody is going to spend 15 minutes to rerun your calculations just to find out what is going on.

kind regards


On 10/31/23 10:58, Eesha Sanjay Andharia wrote:
Hi everyone,
   I tried using ph.x with ldisp = true for calculating phonon dispersion relations. See attached along with pwscf.in file.
However, it only writes dyn0 -a list of q-points and does not calculate the dynamical matrices at those q-points. I tried running using different versions and different clusters as well, however, the output is the same. No .dyn files.

Is there something wrong with my scf calculations? I cannot pinpoint anything specific.
Or do we need to do gamma point and q not equal to 0 calculations before using ldisp = true?
Please help.

Thanks!
Eesha



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