def test_locpot():
# print (chg.is_spin_polarized(), chg.is_spin_orbit(), np.array(chg.chg).shape)
assert (
loc.is_spin_polarized(),
loc.is_spin_orbit(),
np.array(chg.chg).shape,
) == (False, False, (4, 56, 56, 56),)
vac = loc.vac_potential()[0]
assert round(vac, 2) == round(7.62302803577618, 2)
td = loc.to_dict()
fd = Locpot.from_dict(td)
vac = loc.vac_potential(direction="Y")[0]
assert round(vac, 2) == round(7.62302803577618, 2)
vac = loc.vac_potential(direction="Z")[0]
assert round(vac, 2) == round(7.62302803577618, 2)
"vasp",
"SiOptb88",
"SiOptb88",
"MAIN-BAND-bulk@mp_149",
"KPOINTS",
)
loc = Locpot(
filename=os.path.join(
os.path.dirname(__file__),
"..",
"..",
"..",
"..",
"examples",
"vasp",
"SiOptb88",
"SiOptb88",
"MAIN-RELAX-bulk@mp_149",
"LOCPOT",
)
)
chg = Chgcar(
filename=os.path.join(
os.path.dirname(__file__),
"..",
"..",
"..",