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.
optical matrix element [SOLVED]
Moderators: mverstra, joaocarloscabreu
Re: optical matrix element [SOLVED]
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
University of Liege, Belgium