optics with vasp 4.6

Question on input files/tags, interpreting output, etc.

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windiks
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optics with vasp 4.6

#1 Post by windiks » Mon Jul 04, 2005 8:11 pm

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
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

#2 Post by admin » Tue Jul 05, 2005 3:14 pm

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
Last edited by admin on Tue Jul 05, 2005 3:14 pm, edited 1 time in total.

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