Difference between revisions of "XCrySDen"

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If you publish research that uses {{#var:app}} you have to cite it as follows:
 
If you publish research that uses {{#var:app}} you have to cite it as follows:
  
Andrea Marini, Conor Hogan, Myrta Grüning, Daniele Varsano, "Yambo: an ab initio tool for excited state calculations," Comp. Phys. Comm. 180, 1392 (2009).  
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A. Kokalj, Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale, Comp. Mater. Sci., 2003, 28, 155--168.
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|}}
 
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Revision as of 01:18, 23 November 2014

Description

XCrySDen website  

XCrySDen is a crystalline and molecular structure visualization program aiming at display of isosurfaces and contours, which can be superimposed on crystalline structures and interactively rotated and manipulated.

Required Modules

Serial

  • xcrysden

System Variables

  • HPC_{{#uppercase:XCrySDen}}_DIR : installation base directory
  • HPC_{{#uppercase:XCrySDen}}_BIN : executable program directory
  • HPC_{{#uppercase:XCrySDen}}_LIB : library directory




Citation

If you publish research that uses XCrySDen you have to cite it as follows:

A. Kokalj, Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale, Comp. Mater. Sci., 2003, 28, 155--168.