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
