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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and economic cooperation amongst peoples
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