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 <[email protected]> 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 > [email protected] > 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
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