Re: [Phonopy-users] FORCES_FC3
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From: Atsushi T. <atz...@gm...> - 2016-01-28 07:34:36
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No, no. I have found this is not explicitly written in the document, so your question was useful. It should be written in http://atztogo.github.io/phono3py/output-files.html . I will update someday. Togo On Thu, Jan 28, 2016 at 4:30 PM, Reto Rhyner <rh...@ii...> wrote: > Hi, > > thank you very much and sorry for asking something that would have been > apparent. > > Best regards > > On 01/27/2016 12:41 AM, Atsushi Togo wrote: >> Hi, >> >> It's fc3.hdf5. >> >> Togo >> >> On Wed, Jan 27, 2016 at 1:23 AM, Reto Rhyner <rh...@ii...> wrote: >>> Hi, >>> >>> is there an option to get the full third derivatives of the potential of >>> the simulated structure out of the FORCES_FC3 file? Similar to the >>> option FORCE_CONSTANTS = WRITE for the harmonic potential. >>> >>> Thank you very much in advance, >>> >>> kind regards, >>> Reto >>> >>> ------------------------------------------------------------------------------ >>> Site24x7 APM Insight: Get Deep Visibility into Application Performance >>> APM + Mobile APM + RUM: Monitor 3 App instances at just $35/Month >>> Monitor end-to-end web transactions and take corrective actions now >>> Troubleshoot faster and improve end-user experience. Signup Now! >>> http://pubads.g.doubleclick.net/gampad/clk?id=267308311&iu=/4140 >>> _______________________________________________ >>> Phonopy-users mailing list >>> Pho...@li... >>> https://lists.sourceforge.net/lists/listinfo/phonopy-users >> >> > > > ------------------------------------------------------------------------------ > Site24x7 APM Insight: Get Deep Visibility into Application Performance > APM + Mobile APM + RUM: Monitor 3 App instances at just $35/Month > Monitor end-to-end web transactions and take corrective actions now > Troubleshoot faster and improve end-user experience. Signup Now! > http://pubads.g.doubleclick.net/gampad/clk?id=267308311&iu=/4140 > _______________________________________________ > Phonopy-users mailing list > Pho...@li... > https://lists.sourceforge.net/lists/listinfo/phonopy-users -- Atsushi Togo Elements Strategy Initiative for Structural Materials, Kyoto university E-mail: atz...@gm... |