Vasp2cif.sh: Difference between revisions
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'''Launching''': ''vasp2cif.sh CONTCAR or vasp2cif.sh POSCAR'' | '''Launching''': ''vasp2cif.sh CONTCAR or vasp2cif.sh POSCAR'' in command line | ||
'''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]] | [[Image:Vasp2cif.tgz]] | ||
Latest revision as of 09:51, 25 July 2014
go back to Main Page, Computational Resources, Scripts, Scripts for VASP
The script vasp2cif.sh translates POSCAR/CONTCAR files to a .cif format. This file can be read directly for Materials Studio.
Launching: vasp2cif.sh CONTCAR or vasp2cif.sh POSCAR in command line
Output file: CONTCAR/POSCAT.cif (i.e., POSCAR.cif or CONTCAR.cif; ready to be read with Materials Studio, for example)