How to edit B2EPS.freq?

Phonons, DFPT, electron-phonon, electric-field response, mechanical response…

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Hamedgh
Posts: 2
Joined: Fri Apr 10, 2015 1:52 pm

How to edit B2EPS.freq?

Post by Hamedgh » Tue Jan 19, 2016 5:10 pm

Dear Abinit Users/ Developers

I am trying to get phonon dispersion of h-BN, but as I understood B2EPS.freq output file needs to be modified, but I have no idea how this should be done. Without modification I don not get a good dispersion(not just gamma point). Some columns needs to be replaced with each other in some points but does not follow a regular pattern. Could you please tell how this should be done? Thank you in advance.

Regards,
Hamed

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