Python read_electron_valency Examples

Example #1

File: writer.py Project: essil1/ase-laser

def get_up_down_spin(magmom, element, xc):
    magmom = np.linalg.norm(magmom)
    filename = get_pseudo_potential_suffix(element, xc)
    valence_electron = float(read_electron_valency(filename))
    return [
        valence_electron / 2 + magmom / 2, valence_electron / 2 - magmom / 2
    ]

Example #2

File: writer.py Project: ssrokyz/ase-3.20.1

def get_up_down_spin(magmom, element, xc, data_path, year):
    magmom = np.linalg.norm(magmom)
    suffix = get_pseudo_potential_suffix(element, xc, year)
    filename = os.path.join(data_path, 'VPS/' + suffix + '.vps')
    valence_electron = float(read_electron_valency(filename))
    return [
        valence_electron / 2 + magmom / 2, valence_electron / 2 - magmom / 2
    ]