INNER CODE UNIT · Python

kpoints

SMTG-Bham/ThermoParser · tp/cli/cli.py:227

def kpoints(kpoints, mesh, poscar, zero_kpoints, zero_mesh, output):
    """Generates KPOINTS file for VASP with 0-weighted KPOINTS.

    Accepts either meshes, which are not preferred as they may not be
    the same as VASP would choose, or IBZKPT files.
    """

    if kpoints is not None:
        pass
    elif mesh != ():
        kpoints = mesh
    else:
        kpoints = 'KPOINTS'

    if zero_kpoints is None and zero_mesh != ():
        zero_kpoints = zero_mesh

    tp.setup.vasp.get_kpoints(kpoints, zero_kpoints, poscar=poscar,

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