utilities:force2poscar
force2poscar
Convert a potfit configuration into a VASP POSCAR file.
usage: force2poscar [-h] [-n NUMBER] filename Convert a potfit configuration into a VASP POSCAR file. positional arguments: filename name of the potfit config file optional arguments: -h, --help show this help message and exit -n NUMBER, --number NUMBER number of the configuration to convert
The VASP POSCAR data is written to standard output.
utilities/force2poscar.txt ยท Last modified: 2018/01/05 09:49 by daniel