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How to plot optical spectrum

Posted: Wed Feb 08, 2012 10:07 pm
by hfruchtl
I am new to VASP 5.2 and optical calculations. Can somebody give me a quick rundown of how to plot a simulated optical absorption spectrum?

I run an SCF calculation and then a non-iterative one with LOPTICS=.TRUE., NPAR=1, and a few other keywords recommended in the manual (increased NEDOS, etc.). This gives me an OPTIC file, but this is binary. How do I actually get a plottable spectrum out of this? Or is the information somewhere else?

Thanks in advance,

Herbert

How to plot optical spectrum

Posted: Fri Mar 16, 2012 7:00 pm
by Isabel
Hi Herbert,

I've got a quite similar problem to yours. Have you got some insight how to solve this issue?

Best regards,
Isabel.