How to plot optical spectrum

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hfruchtl · #1 Post by **hfruchtl** » Wed Feb 08, 2012 10:07 pm

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

Isabel · #2 Post by **Isabel** » Fri Mar 16, 2012 7:00 pm

Hi Herbert,

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

Best regards,
Isabel.