[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
---
Paolo Giannozzi, Democritos and University of Udine, Italy





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