Re: [Phonopy-users] Question about 3-phonon scattering
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From: Atsushi T. <atz...@gm...> - 2024-09-22 23:15:20
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Hi, Yes, you can get that information. What you expect is probably https://phonopy.github.io/phono3py/command-options.html#write-gamma-detail-write-gamma-detail-true Togo On Sun, Sep 22, 2024 at 2:11 PM Rijan Karkee <rij...@gm...> wrote: > Hi Phonopy users, > > I have a question regarding 3 phonon scattering calculations in phono3py. > I have never calculated it before and would like to know if these > calculations address my question beforehand. > > Suppose I want to know how an optical phonon (for example Raman active > phonon) scatters into two different phonons. Do you know if this > calculation will get me this information? > If the answer is yes, once phono3py_disp.yaml, FORCES_FC3 and BORN are > computed, how do I calculate how phonon mode (x cm-1) scatters into > other two phonons? Is there any related tutorial on this? > > Thank you. > > Rijan > _______________________________________________ > Phonopy-users mailing list > Pho...@li... > https://lists.sourceforge.net/lists/listinfo/phonopy-users > -- Atsushi Togo |