NAME

       vasp2cif - tool to make CIF format files out of VASP POSCAR+POTCAR/OUTCAR files

SYNOPSIS

       vasp2cif [options]

OPTIONS

       -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.

vasp2cif 2.1.0+dfsg                               February 2024                                      VASP2CIF(1)