[Pw_forum] Restarting ph.x from a successful run
Paolo Giannozzi
giannozz at nest.sns.it
Tue Feb 27 17:29:57 CET 2007
On Feb 27, 2007, at 16:37 , Paul M. Grant wrote:
> Thanks, Paolo. (Of course, I meant "self-consistent"). Maybe
> this ability could be a new "feature" in the next release of QE.
not likely: in order to restart from a previous phonon
calculation, one needs to save the Delta\psi's for all
modes. It's a lot of files and of disk space. Presently
the code works one irrep (up to 4 modes) at the time
and removes files when done.
Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy
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