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General Tools

The given output from a calculation with the CPMD code can be used for post-processing. There are several types of output. The most typical types of output are density-like files, trajectories and/or xyz-files. These can be visualized or analyzed with a number of different programs. Some of them are (in alphabethical order):
gOpenMol: (homepage: http://www.csc.fi/gopenmol/http://www.csc.fi/gopenmol/)
Molden: (homepage: http://www.cmbi.kun.nl/ schaft/molden/molden.htmlhttp://www.cmbi.kun.nl/ schaft/molden/molden.html)
Molekel: (homepage: http://www.cscs.ch/molekel/http://www.cscs.ch/molekel/)
VMD: (homepage: http://www.ks.uiuc.edu/Research/vmd/http://www.ks.uiuc.edu/Research/vmd/)



Costas Bekas 2008-07-04