def test_eig3(self, setup):
setup.HS.construct([(0.1, 1.5), ((1., 1.), (0.1, 0.1))])
BS = BandStructure(setup.HS, [[0, 0, 0], [0.5, 0.5, 0]], 10)
eigs = BS.asarray().eigh()
assert len(BS) == eigs.shape[0]
assert len(setup.HS) == eigs.shape[1]
eig2 = np.array([eig for eig in BS.asyield().eigh()])
assert np.allclose(eigs, eig2)
setup.HS.empty()
def finite_bands(dev, pot, SF):
H = Hamiltonian(dev)
R = np.array([1.4, 1.44, 3.33, 3.37]) * SF
t = (0, 3.16, 0, 0.39)
H.construct([R, t])
energies = pot.pot_func(dev.xyz)
for i in dev.iter():
H[i, i] = energies[i]
#band = BandStructure(H, [[-np.pi / 2.46, 0, 0], [np.pi / 2.46, 0, 0]],
# 400, [r'$-\pi$',r'$\pi$'])
band = BandStructure(
H, [[0, 0, 0], [0, 0.5, 0], [1 / 3, 2 / 3, 0], [0, 0, 0]], 400,
[r'$\Gamma$', r'$M$', r'$K$', r'$\Gamma$'])
bnds = band.asarray().eigh()
lk, kt, kl = band.lineark(True)
fig = plt.figure()
ax = fig.add_subplot(111)
for bnd in bnds.T:
ax.plot(lk, bnd)
plt.xticks(kt, kl)
plt.xlim(0, lk[-1])
#plt.ylim([0, 0.055])
plt.ylim([-3, 3])
#ax.set_ylim(-.1,.1)
plt.show()