[Pw_forum] Restarting ph.x in version 4.0.1
prasenjit.jnc at gmail.com
Wed Aug 20 15:21:16 CEST 2008
You should use set the "recover" flag to .true. to restart the phonon cal.
2008/8/20 Deepa Kasinathan <d.kasinathan at ifw-dresden.de>
> I run ph.x using Version 2.1.5, and the CPU time limit is exceeded
> before all the phonon frequencies are calculated. When I restart this
> calculation, the program recognizes that and continues with the phonon
> modes that were not yet calculated.
> I do the same thing with Version 4.0.1, but every time the program
> starts to calculate from the first phonon mode. Is there a new flag that
> needs to be added to the input file in the new version so as to not
> redo the phonon modes that are already converged ?
> I appreciate any help regarding this problem.
> Deepa Kasinathan
> Max Planck Institute for Chemical Physics of Solids
> Noethnitzer Strasse 40, D-01187 Dresden, Germany.
> Phone: +49 351 4646 4424.
> Pw_forum mailing list
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