My Community

Hi all,

I've heart that already vaps 4.6 provides the function to calculate matrix telements for electronic transitions, hich can be used in a post-processing procedure to create optical spectra.
What is the option in vasp 4.6 to obtain these matrix elements?

Thank you for your help!

Sincerely,

René Windiks

the OPTICS package was written and by Dr. Juergen Furthmueller
www.ifto.uni-jena.de/~furth/
and is not directly supported by us.

To calculate the optics matrix elements, please set
LOPTICS = .True.
NPAR = 1
in INCAR