def test_overlap_integrals_are_consistent():
a = Material(1.0, 0.0, 1.0, 1.0, 1.0)
b = Material(1.0, -0.5, 1.0, 1.0, 1.0) # Lower band edges.
csnc1 = CoreShellParticle(a, b, 1.0, 1.0) # Type 2 CSNC. h/e structure.
assert np.isclose(csnc1.analytical_overlap_integral(),
csnc1.numerical_overlap_integral())
def test_analytical_overlap_integral_is_at_or_below_one():
a = Material(1.0, 0.0, 1.0, 1.0, 1.0)
b = Material(1.0, -0.5, 1.0, 1.0, 1.0) # Lower band edges.
csnc1 = CoreShellParticle(a, b, 1.0, 1.0) # Type 2 CSNC. h/e structure.
assert csnc1.analytical_overlap_integral() <= 1.0