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

[Mpayami]

--- instead of :
  "Sorry about that. PFA the output files."
one could equally use:
  " SAT. PFA TOF." :-)  :-) :-)

Cheers,
Mahmoud


-------------------------------
Mahmoud Payami
NSTRI, AEOI
Tehran, Iran
Email: mpayami at aeoi.org.ir
Phone: +98(0)2182066504
------------------------------------

----- Original Message -----
From: Eesha Sanjay Andharia (esandhar at uark.edu)
Date: 09/08/1402 05:17
To: Quantum ESPRESSO users Forum (users at lists.quantum-espresso.org)
Subject: Re: [QE-users] ph.x Not writing all the dynamical matrices files

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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_______________________________________________
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 (www.max-centre.eu)
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