Re: [Phonopy-users] frequency
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Re: [Phonopy-users] frequency
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From: Ujjal D. <uj...@MI...> - 2010-07-22 12:53:05
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Thank you for the reply. Yes, it is related to phonopy operation. I have all the required files (INPHON, FORCES, POSCAR, DISP). I can compute the thermal properties using "phonopy -t" command. But I don't know how to extract phonon frequencies. What command should I use or how the INPHON file should look like. If you mean that it is already in the manual, I should look at it more carefully. Ujjal Quoting Atz Togo <atz...@gm...>: > Hi, > > I don't understand your question. Physics question, computational > question, or just a question of operation of phonopy? If it is the > last one, it means that the manual is written so badly, and I need > your advise to improve it! > > Cheers! > > Togo > > On Thu, Jul 22, 2010 at 1:05 PM, Ujjal Das <uj...@mi...> wrote: >> >> Dear phonopy-users, >> >> How to extract frequencies once the forces (of the supercells) are >> calculated >> using VASP? What should be the command options? >> >> Thank you, >> >> Ujjal >> >> >> -- >> Ujjal Das, Ph.D. >> Chemical Engineering, MIT >> 66-264, Phone: 812-322-7402 >> >> >> >> ------------------------------------------------------------------------------ >> This SF.net email is sponsored by Sprint >> What will you do first with EVO, the first 4G phone? >> Visit sprint.com/first -- http://p.sf.net/sfu/sprint-com-first >> _______________________________________________ >> Phonopy-users mailing list >> Pho...@li... >> https://lists.sourceforge.net/lists/listinfo/phonopy-users >> > > > > -- > Atsushi Togo > http://atztogo.users.sourceforge.net/ > atz...@gm... > > ------------------------------------------------------------------------------ > This SF.net email is sponsored by Sprint > What will you do first with EVO, the first 4G phone? > Visit sprint.com/first -- http://p.sf.net/sfu/sprint-com-first > _______________________________________________ > Phonopy-users mailing list > Pho...@li... > https://lists.sourceforge.net/lists/listinfo/phonopy-users > -- Ujjal Das, Ph.D. Chemical Engineering, MIT 66-264, Phone: 812-322-7402 |
