def test_replace_gamma_trs(self): g = geom.graphene() bz = MonkhorstPack(g, [2, 2, 2], trs=False) bz_gamma = MonkhorstPack(g, [3, 3, 3], size=[0.5] * 3, trs=True) assert len(bz) == 2 ** 3 bz.replace([0] * 3, bz_gamma) assert len(bz) == 2 ** 3 + 3 ** 3 - 3 ** 2 - 1 assert bz.weight.sum() == pytest.approx(1.)
def test_replace_gamma(self): g = geom.graphene() bz = MonkhorstPack(g, 2, trs=False) bz_gamma = MonkhorstPack(g, [2, 2, 2], size=[0.5] * 3, trs=False) assert len(bz) == 2**3 bz.replace([0] * 3, bz_gamma) assert len(bz) == 2**3 + 2**3 - 1 assert bz.weight.sum() == pytest.approx(1.) assert np.allclose(bz.copy().k, bz.k) assert np.allclose(bz.copy().weight, bz.weight)