XCrySDen --
(X-Window) CRYstalline Structures and DENsities

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XCrySDen Documentation

Tip: How to plot many molecular orbitals?
  1. calculate the orbitals and save them into, say, mo-*.xsf files
  2. load a given orbital, e.g, xcrysden --xsf mo-1.xsf and produce a desired display
  3. save display settings via File-->Save Current State, say, into state.xcrysden
  4. execute the following script:
for xsf in mo-*.xsf; do
   xcrysden --xsf $xsf --script state.xcrysden --print ${xsf%.xsf}.png
done
Look's smart
The documentation of XCrySDen is available only in HTML format. For the beginners, it is strongly suggested to start with the Short introduction to XCrySDen (read at least subsection 1.3 Useful hints).

Here you can download XCrySDen documentation as tar-gzipped archive (xcrysden-doc.tgz, size: 7.5 MB).


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Webmaster: Tone Kokalj
This document was last modified on Tue 29 Oct 2019 12:32:53 PM CET