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_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_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()