calculation of optical constants

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

Moderators: mverstra, joaocarloscabreu

Locked
bahaar
Posts: 30
Joined: Mon Apr 18, 2011 9:18 am

calculation of optical constants

Post by bahaar » Tue Jul 05, 2011 12:13 pm

Hi dear users.
Is it possible to calculate other optical constants, such as refractive
index n(ω), absorption coefficient α(ω), reflectivity
R(ω) and electron energy-loss spectrum L(ω) by abinit?
I find calculation of ε1(ω) and ε2(ω) in lesson_optic but no information about other constants.
Thankful.

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

Re: calculation of optical constants

Post by mverstra » Mon Apr 02, 2012 6:31 pm

All of these coefficients are related to one another, and to the dielectric matrix (e1 = real part and e2 = imaginary part).

http://en.wikipedia.org/wiki/Refractive_index

It would be nice to have explicit output files with all the quantities you mention - any volunteers?
Matthieu Verstraete
University of Liege, Belgium

Locked