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

Eesha Sanjay Andharia esandhar at uark.edu
Tue Oct 31 10:58:06 CET 2023


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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