vasp2cif - tool to make CIF format files out of VASP
POSCAR+POTCAR/OUTCAR files
- -h, --help
- show this help message and exit
- -v, --verbose
- Print CIF to stdout
- -o FILE,
--output=FILE
- Save CIF to named file
- -e list of elements,
--elements=list of elements
- Supply elements if no POTCAR is present. Example:
--elements="Fe,Co,Ni"
- --occupancies=list
of occupanciess
- Supply concentrations of elements. Must match the elements in POSCAR.
Example: --occupancies="1.0,0.5,0.5"
- --displacement-vector=[x,y,z]
- A vector in relative coordinates with which to displace all atoms before
outputting to .cif file.
- --findsym-tolerance=FINDSYMTOL
- Tolerance used for FINDSYM (default=0, minimal value).
- --no-findsym
- Don't run FINDSYM to find symmetry of the crystal.