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from ase.dft.kpoints import monkhorst_pack
assert [0, 0, 0] in monkhorst_pack((1, 3, 5)).tolist()
assert [0, 0, 0] not in monkhorst_pack((1, 3, 6)).tolist()
assert len(monkhorst_pack((3, 4, 6))) == 3 * 4 * 6
from ase.units import Hartree, Bohr, kJ, mol, kcal, kB, fs
print(Hartree, Bohr, kJ/mol, kcal/mol, kB*300, fs, 1/fs)
from ase.build import bulk
hcp = bulk('X', 'hcp', a=1) * (2, 2, 1)
assert abs(hcp.get_distance(0, 3, mic=True) - 1) < 1e-12
assert abs(hcp.get_distance(0, 4, mic=True) - 1) < 1e-12
assert abs(hcp.get_distance(2, 5, mic=True) - 1) < 1e-12
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