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
optics with vasp 4.6
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optics with vasp 4.6
Last edited by windiks on Mon Jul 04, 2005 8:11 pm, edited 1 time in total.
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optics with vasp 4.6
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
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
Last edited by admin on Tue Jul 05, 2005 3:14 pm, edited 1 time in total.