optical matrix element  [SOLVED]

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

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jakob_dz
Posts: 1
Joined: Fri May 05, 2017 6:52 pm

optical matrix element

Post by jakob_dz » Fri May 05, 2017 7:16 pm

I would like to know how to access optical matrix element for the analysis of calculated optical properties.
the optical matrix element are computed by abinit and saved in 3 unformated files.

mverstra
Posts: 655
Joined: Wed Aug 19, 2009 12:01 pm

Re: optical matrix element  [SOLVED]

Post by mverstra » Tue May 09, 2017 10:39 pm

You can look at the source code for the optic executable. The first thing it does is read in the files and create the pmat matrix elements you want. You could add fortran lines there to dump the matrix elements to file, or use it directly inside optic (depends what you want to do with them).
Matthieu Verstraete
University of Liege, Belgium

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