[QE-users] problem in phonon restart

[Hari Paudyal]

Hi all,

I am having a problem while restarting a phonon job with "recover =
.true.".

I have a supercell with 26 atoms.

I am calculating phonons by splitting a job on each q-points. Out of 6
q-points, all are done within the time limit of my cluster except one
(q-point_5).

For the interrupted q-point (q-point_5) , out of 77 representations, I
restarted from 62 representations. The restart run was fine, and started
from the place of interruption (iterations).

At the end when the job is done, I see one frequency is negative (-18.4
cm-1).

On the other hand, I re-submitted the same calculation from scratch
requesting more cores to get it done within the time frame of the cluster.
In this case the frequency is not negative (17.6 cm-1).

Any suggestions will be appreciated.

Note: I am using qe-v6.6.

Sincerely,
Hari Paudyal
SUNY, Binghamton
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