[Pw_forum] (no subject)
Raghani Pushpa
pushpa at jncasr.ac.in
Mon Jan 12 05:40:35 CET 2004
Dear all,
In the phonon calculations if we kill the process in between and if the
files in the scratch directory get corrupted that we cannot restart the
job. In that case, can we get the frequencies and eigenvectors of the
representations which it has already achieved the self consistency for?
Then start the program again and achieve the selfconsistency for the
representations which it didn't do previously. This can be done only if
the irreps are decoupled at a particular q point and I am not sure if it's
so.
In general, is there any solution to this kind of a problem than just
restarting the calculation from scratch?
Pushpa
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