[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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