Vasp2cif.sh

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Revision as of 09:35, 25 July 2014 by Mrellan (talk | contribs) (New page: go back to Main Page, Computational Resources, Scripts, Scripts for VASP The script ''vasp2cif.sh'' translates POSCAR/CONTCAR files to a .xyz format. '''Launching''': '...)

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go back to Main Page, Computational Resources, Scripts, Scripts for VASP

The script vasp2cif.sh translates POSCAR/CONTCAR files to a .xyz format.

Launching: vasp2cif.sh file (where file is either POSCAR or CONTCAR)

Output file: CONTCAR/POSCAT.cif (i.e., POSCAR.cif or CONTCAR.cif; ready to be read with Materials Studio, for example)

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