def test_sancho_non_orthogonal(setup):
SE = RecursiveSI(setup.HS, '-A')
s64 = SE.self_energy(0.1, dtype=np.complex64)
s128 = SE.self_energy(0.1)
assert s64.dtype == np.complex64
assert s128.dtype == np.complex128
assert np.allclose(s64, s128)
def test_real_space_H_k_trs(setup):
semi = RecursiveSI(setup.H, '-B')
surf = setup.H.tile(4, 1)
surf.set_nsc(b=1)
RSI = RealSpaceSI(semi, surf, 0, (3, 1, 3))
RSI.set_options(dk=100, trs=True, bz=None)
RSI.initialize()
RSI.green(0.1, [0, 0, 0.1], dtype=np.complex128)
def test_real_space_HS(setup, k_axes, trs, bz, unfold, bulk, coupling):
semi = RecursiveSI(setup.HS, '-B')
surf = setup.HS.tile(4, 1)
surf.set_nsc(b=1)
RSI = RealSpaceSI(semi, surf, k_axes, (unfold, 1, unfold))
RSI.set_options(dk=100, trs=trs, bz=bz)
RSI.initialize()
RSI.self_energy(0.1, bulk=bulk, coupling=coupling)
def test_sancho_green(setup):
SL = RecursiveSI(setup.HS, '-A')
SR = RecursiveSI(setup.HS, '+A')
E = 0.1
k = [0, 0.13, 0]
# Check that left/right are different
L_SE = SL.self_energy(E, k, bulk=True)
R_SE = SR.self_energy(E, k)
g = np.linalg.inv(L_SE - R_SE)
G = SL.green(E, k)
assert np.allclose(g, G)
assert np.allclose(SL.green(E, k), SR.green(E, k))
def test_real_space_SI_H_test(setup):
semi = RecursiveSI(setup.H, '-B')
surf = setup.H.tile(4, 1)
surf.set_nsc(b=1)
RSI = RealSpaceSI(semi, surf, 0, (3, 1, 3))
RSI.set_options(dk=100, trs=False, bz=None)
RSI.initialize()
RSI.green(0.1, [0, 0, 0.1], dtype=np.complex128)
RSI.self_energy(0.1, [0, 0, 0.1])
RSI.clear()
def test_sancho_bloch_zero_off_diag(setup):
# check whether the bloch-expansion with 0 transverse
# connections returns a block-diagonal matrix
H = setup.H.copy()
# disconnect transverse directions
H.set_nsc(b=1)
no = len(H)
SE = RecursiveSI(H, '+A')
for nb in [2, 4, 5]:
bloch = Bloch(1, nb, 1)
for E in [-0.1, 0.2, 0.4, -0.5]:
se = bloch(SE.self_energy, [0.2, 0.2, 0.2], E=E)
for b in range(1, nb):
off = b*no
assert np.allclose(se[:no, :no], se[off:off+no, off:off+no])
se[off:off+no, off:off+no] = 0.
se[:no, :no] = 0.
assert np.allclose(se, 0.)
def test_sancho_lr(setup):
SL = RecursiveSI(setup.HS, '-A')
SR = RecursiveSI(setup.HS, '+A')
E = 0.1
k = [0, 0.13, 0]
# Check that left/right are different
L_SE = SL.self_energy(E, k)
R_SE = SR.self_energy(E, k)
assert not np.allclose(L_SE, R_SE)
LB_SEL, LB_SER = SL.self_energy_lr(E, k)
RB_SEL, RB_SER = SR.self_energy_lr(E, k)
assert np.allclose(LB_SEL, L_SE)
assert np.allclose(LB_SER, R_SE)
assert np.allclose(RB_SEL, L_SE)
assert np.allclose(RB_SER, R_SE)
LB_SEL, LB_SER = SL.self_energy_lr(E, k, bulk=True)
L_SE = SL.self_energy(E, k, bulk=True)
R_SE = SR.self_energy(E, k, bulk=True)
assert not np.allclose(L_SE, R_SE)
RB_SEL, RB_SER = SR.self_energy_lr(E, k, bulk=True)
assert np.allclose(LB_SEL, L_SE)
assert np.allclose(LB_SER, R_SE)
assert np.allclose(RB_SEL, L_SE)
assert np.allclose(RB_SER, R_SE)
def test_sancho_scattering_matrix(setup):
SE = RecursiveSI(setup.HS, '-A')
assert np.allclose(SE.scattering_matrix(0.1),
SE.se2scat(SE.self_energy(0.1)))
def test_sancho_non_orthogonal(setup):
SE = RecursiveSI(setup.HS, '-A')
assert not np.allclose(SE.self_energy(0.1), SE.self_energy(0.1, bulk=True))
def test_real_space_SI_fail_unfold_in_semi(setup):
semi = RecursiveSI(setup.H, '-B')
surf = setup.H.tile(4, 1)
surf.set_nsc(b=1)
RSI = RealSpaceSI(semi, surf, 0, (2, 2, 1))
def test_real_space_SI_fail_k_no_nsc(setup):
semi = RecursiveSI(setup.H, '-B')
surf = setup.H.tile(4, 1)
surf.set_nsc([1] * 3)
RSI = RealSpaceSI(semi, surf, 0, (2, 1, 1))
def test_real_space_SI_fail_semi_in_k(setup):
semi = RecursiveSI(setup.H, '-B')
surf = setup.H.tile(4, 1)
surf.set_nsc(b=1)
RSI = RealSpaceSI(semi, surf, [0, 1], (2, 1, 1))
def test_real_space_SI_fail_unfold_in_semi(setup):
semi = RecursiveSI(setup.H, '-B')
surf = setup.H.tile(4, 1)
surf.set_nsc(b=1)
with pytest.raises(ValueError):
RSI = RealSpaceSI(semi, surf, 0, (2, 2, 1))
def test_real_space_SI_fail_k_no_nsc(setup):
semi = RecursiveSI(setup.H, '-B')
surf = setup.H.tile(4, 1)
surf.set_nsc([1] * 3)
with pytest.raises(ValueError):
RSI = RealSpaceSI(semi, surf, 0, (2, 1, 1))
def test_sancho2(self, setup):
SE = RecursiveSI(setup.HS, '+A')
SE.self_energy(0.1)
