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

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External programs used by XCrySDen:

  • Open Babel: interconverts a number of file formats currently used in molecular modeling.
     
  • ImageMagick: interconverts a number of graphics file formats, creates GIF animations, and makes screenshots
     
  • gifsicle: animated GIF encoder
     
  • MPlayer's mencoder: sofisticated movie encoder
     
  • ppmtompeg: MPEG-1 movie encoder
     

Utilities:

  • xsfConvert: converts the output of different ab initio codes into the XCrySDen's XSF format.
  • c2x: reads and writes a selection of file formats which relate to DFT electronic structure codes.
  • check2xsf: converts the CASTEP's .check and many other file formats into XCrySDen's XSF format.
  • sies2xsf converts SIESTA properties files into XCrySDen's XSF format. (See the README file and a PDF presentation.

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This document was last modified on Wed 30 Oct 2019 08:27:02 AM CET