Beispiel #1
0
def kpoints(poscar_file, attribute):
    '''
    Example:

    pyvasp kpoints POSCAR -a kppa=3000,style=gamma

    For more help you can refer to

    https://pyvaspflow.readthedocs.io/zh_CN/latest/kpoints.html
    '''
    wk(poscar_file, kw=us.get_kw(attribute))
Beispiel #2
0
def kpoints(poscar_file, attribute):
    '''
    Example:

    pyvasp incar -f KPOINTS -a NSW=100,EDIFF=1e-6

    For more help you can refer to

    https://pyvaspflow.readthedocs.io/zh_CN/latest/kpoints.html
    '''
    wk(poscar_file, kw=us.get_kw(attribute))