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Question on plotting excitons and wave-functions

Posted: Sat Aug 22, 2020 10:05 am
by javad
Dear all

I have a general question on plotting exciton, wave-functions, etc.. produced by Yambo.
I saw that Yambo can produce 3D XSF files, and I can open them with Xcrysden.

Now I would like to plot different excitons for the same system,
so I open the file, I rotate the structure and zoom until I get an image I like.
My problem is that for each exciton, I do the rotation, zooming and so on, by hand with Xcrysden
and so all the figures are slightly different.
Is there a way to use a script to generate automatically a figure starting from the XSF files?
or another program that can do it?

with best regards
Javad

Re: Question on plotting excitons and wave-functions

Posted: Sat Aug 22, 2020 11:35 am
by claudio
Dear Javad

you can create scripts also with Xcrysden, it is explained here

http://www.xcrysden.org/doc/scripting.html

in such a way you can define a standard way to make your plots

best
Claudio