def test_bz1(self, setup):
bz = BrillouinZone(1.)
repr(bz)
bz.weight
bz = BrillouinZone(setup.s1)
assert len(bz) == 1
assert np.allclose(bz.tocartesian([0, 0, 0]), [0] * 3)
assert np.allclose(bz.tocartesian([0.5, 0, 0]), [m.pi, 0, 0])
assert np.allclose(bz.toreduced([0, 0, 0]), [0] * 3)
assert np.allclose([0.5, 0, 0], bz.tocartesian(bz.toreduced([0.5, 0, 0])))
for k in bz:
assert np.allclose(k, np.zeros(3))
def test_bz1(self, setup):
bz = BrillouinZone(1.)
str(bz)
bz.weight
bz = BrillouinZone(setup.s1)
assert len(bz) == 1
assert np.allclose(bz.tocartesian([0, 0, 0]), [0] * 3)
assert np.allclose(bz.tocartesian([0.5, 0, 0]), [m.pi, 0, 0])
assert np.allclose(bz.toreduced([0, 0, 0]), [0] * 3)
assert np.allclose([0.5, 0, 0], bz.tocartesian(bz.toreduced([0.5, 0, 0])))
for k in bz:
assert np.allclose(k, np.zeros(3))
w = 0.
for k, wk in bz.iter(True):
assert np.allclose(k, np.zeros(3))
w += wk
assert w == pytest.approx(1.)
bz = BrillouinZone(setup.s1, [[0]*3, [0.5]*3], [.5]*2)
assert len(bz) == 2
assert len(bz.copy()) == 2
def test_to_reduced(self, setup):
bz = BrillouinZone(setup.s2)
for k in [[0.1] * 3, [0.2] * 3]:
cart = bz.tocartesian(k)
rec = bz.toreduced(cart)
assert np.allclose(rec, k)
