Vasp2cif.sh: Difference between revisions

Revision as of 09:44, 25 July 2014

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)

Revision as of 09:35, 25 July 2014 edit Mrellan (talk \| contribs) 7 edits 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''': '...		Revision as of 09:44, 25 July 2014 edit undo Mrellan (talk \| contribs) 7 edits No edit summary Newer edit →
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	'''Output file''': ''CONTCAR/POSCAT.cif'' (i.e., POSCAR.cif or CONTCAR.cif; ready to be read with Materials Studio, for example)		'''Output file''': ''CONTCAR/POSCAT.cif'' (i.e., POSCAR.cif or CONTCAR.cif; ready to be read with Materials Studio, for example)

			[[Image:Vasp2cif.tgz]]