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optical matrix element

Posted: Fri May 05, 2017 7:16 pm
by jakob_dz
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.

Re: optical matrix element  [SOLVED]

Posted: Tue May 09, 2017 10:39 pm
by mverstra
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).