[Pw_forum] Restarting ph.x in version 4.0.1

Deepa Kasinathan d.kasinathan at ifw-dresden.de
Wed Aug 20 14:42:31 CEST 2008


Hello,

   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.

Regards,
Deepa

Deepa Kasinathan
Max Planck Institute for Chemical Physics of Solids
Noethnitzer Strasse 40, D-01187 Dresden, Germany.
Phone: +49 351 4646 4424.





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