I have restarted phonon calculations in the past with no issues. However, I haven't tried this with the latest versions -- I think I was using espresso 5.1.
Sridhar Purdue University On Tue, Jan 12, 2016 at 5:56 AM, Paolo Giannozzi <p.gianno...@gmail.com> wrote: > Hard to say. If you get for the same system different results from a > standard calculation and from one that was interrupted and restarted, yes, > there is a problem. Otherwise ... there may still be a problem that shows > up only under some circumstances. > > Paolo > > On Tue, Jan 12, 2016 at 11:20 AM, Cameron Foss <cjf...@umass.edu> wrote: > >> Hello all, >> >> Recently I have experienced negative frequencies from a phonon >> calculation that had been restarted after an unplanned interruption. The >> calculation is for Transition Metal Dichalcogenide MoSe2 and WSe2. Is it >> possible for negative frequencies to come from numerical errors from >> restarting the calculation? >> >> Regards, >> Cameron >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
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