[QE-users] Best way to batch process xsf files

Christoph Wolf wolf.christoph at qns.science
Tue Aug 6 10:07:37 CEST 2019


Dear all,

I have been using XCrySDen for years now and I find it very convenient for
most cases but sometimes I would like to just render a bunch of xsf files
(molecular orbitals) by orienting the cell in a way, setting an Isovalue
and then writing out raster images. Ideally this can be done remotely
(because the xsf files are large and opening them remotely is a hassle) and
without display. I do not see how xcrysden can be used to do that, is there
any better tool out there?

Thanks for your help in advance!

Best,
Chris

-- 
Postdoctoral Researcher
Center for Quantum Nanoscience, Institute for Basic Science
Ewha Womans University, Seoul, South Korea
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