[Wien] units in optic

Little Grass xslittlegrass at gmail.com
Wed Mar 8 18:21:07 CET 2017


Dear WIEN2k users,

I'm wondering what are the units for the dipole matrix elements in mommat2
file calculated from optic program.

The manual states specifically about the overall units in WIEN2k:
"Rydberg atomic units are used except internally in the atomic-like
programs (LSTART and LCORE) or in subroutine outwin (LAPW1, LAPW2), where
Hartree units are used. The output is always given in Rydberg units "


But it seems to me that the dipole matrix elements are in Hartree units.
Could you verify the units convention in the mommat2 file?

Thanks.
Best,
Mengxi
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