Question on plotting excitons and wave-functions

Run-time issues concerning Yambo that are not covered in the above forums.

Moderators: myrta gruning, andrea marini, Daniele Varsano, Conor Hogan

Post Reply
javad
Posts: 42
Joined: Fri Feb 28, 2014 10:23 pm

Question on plotting excitons and wave-functions

Post by javad » Sat Aug 22, 2020 10:05 am

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
Javad Exirifard
IPM - Institute for Research in Fundamental Sciences
P. O. Box 19395-5746
Niavaran Square
Tehran, Iran

User avatar
claudio
Posts: 458
Joined: Tue Mar 31, 2009 11:33 pm
Location: Marseille
Contact:

Re: Question on plotting excitons and wave-functions

Post by claudio » Sat Aug 22, 2020 11:35 am

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
Claudio Attaccalite
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com

Post Reply