def test_set_discrete_symm():
n = 20
# All discrete symmetries
sym = 'CII'
t_mat = np.array(kwant.rmt.h_t_matrix[sym])
t_mat = np.kron(np.identity(n // len(t_mat)), t_mat)
p_mat = np.array(kwant.rmt.h_p_matrix[sym])
p_mat = np.kron(np.identity(n // len(p_mat)), p_mat)
c_mat = p_mat.dot(t_mat.conj())
# Set one symmetry at a time.
symms = [(t_mat, None, None), (None, p_mat, None), (None, None, c_mat)]
for symm in symms:
T, P, C = symm
# Try to set the symmetries as numpy arrays. An error should be thrown.
raises(TypeError,
DiscreteSymmetry,
time_reversal=T,
particle_hole=P,
chiral=C)
s_symm = (sparse.coo_matrix(op) if op is not None else None
for op in symm)
T, P, C = s_symm
DiscreteSymmetry(time_reversal=T, particle_hole=P, chiral=C)
# Break the symmetry operator - an error should be thrown.
b_symm = (sparse.csr_matrix(kwant.rmt.circular(
op.shape[0], 'A', rng=2)) if op is not None else None
for op in symm)
T, P, C = b_symm
raises(ValueError,
DiscreteSymmetry,
time_reversal=T,
particle_hole=P,
chiral=C)
# Set all three symmetries
t_mat = sparse.csr_matrix(t_mat)
p_mat = sparse.csr_matrix(p_mat)
c_mat = sparse.csr_matrix(c_mat)
DiscreteSymmetry(time_reversal=t_mat, particle_hole=p_mat, chiral=c_mat)
# Break chiral symmetry - replace it with identity,
# such that the product of symmetries is incorrect,
# and an error should the thrown.
raises(ValueError,
DiscreteSymmetry,
time_reversal=t_mat,
particle_hole=p_mat,
chiral=sparse.eye(n))
raises(ValueError, DiscreteSymmetry, time_reversal=2 * t_mat)
raises(ValueError, DiscreteSymmetry, chiral=2 * t_mat)
# Check that with two symmetries specified, the third one is computed.
symm = DiscreteSymmetry(time_reversal=t_mat, particle_hole=p_mat)
assert np.allclose(symm.chiral.toarray(), c_mat.toarray())
DiscreteSymmetry(time_reversal=t_mat, chiral=c_mat)
assert np.allclose(symm.particle_hole.toarray(), p_mat.toarray())
DiscreteSymmetry(particle_hole=p_mat, chiral=c_mat)
assert np.allclose(symm.time_reversal.toarray(), t_mat.toarray())
def test_validate_commutator():
symm_class = ['AI', 'AII', 'D', 'C', 'AIII']
n = 10
rng = 10
for sym in symm_class:
# Random matrix in symmetry class
h = kwant.rmt.gaussian(n, sym, rng=rng)
if kwant.rmt.p(sym):
p_mat = np.array(kwant.rmt.h_p_matrix[sym])
p_mat = csr(np.kron(np.identity(n // len(p_mat)), p_mat))
else:
p_mat = None
if kwant.rmt.t(sym):
t_mat = np.array(kwant.rmt.h_t_matrix[sym])
t_mat = csr(np.kron(np.identity(n // len(t_mat)), t_mat))
else:
t_mat = None
if kwant.rmt.c(sym):
c_mat = csr(np.kron(np.identity(n // 2), np.diag([1, -1])))
else:
c_mat = None
disc_symm = DiscreteSymmetry(particle_hole=p_mat,
time_reversal=t_mat,
chiral=c_mat)
assert disc_symm.validate(h) == None
a = random_onsite_hop(n, rng=rng)[1]
assert disc_symm.validate(a) in [
'Time reversal', 'Particle-hole', 'Chiral'
]
def test_projectors():
"""Test setting projectors"""
cons_vals = [-1, -1, 1, 1, 1, 2]
U = kwant.rmt.circular(6, 'A', rng=8)
cons = U.T.conj().dot(np.diag(cons_vals)).dot(U)
# Get the projectors.
evals, evecs = np.linalg.eigh(cons)
# Make sure the ordering is correct.
assert np.allclose(evals - np.array(cons_vals), 0)
projectors = [
np.reshape(evecs[:, :2], (6, 2)),
np.reshape(evecs[:, 2:5], (6, 3)),
np.reshape(evecs[:, 5], (6, 1))
]
# Ensure that the projectors sum to a unitary and set them.
assert np.allclose(
sum(projector.dot(projector.conj().T) for projector in projectors),
np.eye(6))
# set_symmetry only accepts sparse matrices, so setting np.array
# projectors should throw an error.
raises(TypeError, DiscreteSymmetry, projectors=projectors)
# Make the projectors sparse. Can now set them without trouble.
projectors = [sparse.coo_matrix(p) for p in projectors]
DiscreteSymmetry(projectors=projectors)
# Break one projector - setting them should now throw an error.
projectors = [p.toarray() for p in projectors]
projectors[1][2, :] = 0
assert not np.allclose(
sum(projector.dot(projector.conj().T)
for projector in projectors), np.eye(6))
projectors = [sparse.csr_matrix(p) for p in projectors]
raises(ValueError, DiscreteSymmetry, projectors=projectors)
# Test setting square projectors.
p0 = np.eye(20)
p0[:, ::2] = 0
p1 = np.eye(20)
p1[:, 1::2] = 0
projectors = [sparse.coo_matrix(p0), sparse.coo_matrix(p1)]
symmetry = DiscreteSymmetry(projectors=projectors)
# Check that set_symmetry removes zero columns properly.
p0 = p0[:, 1::2]
p1 = p1[:, ::2]
assert np.allclose(symmetry.projectors[0].toarray(), p0)
assert np.allclose(symmetry.projectors[1].toarray(), p1)
def test_projectors_and_symmetry():
# Consider a Hamiltonian with three blocks: the first one has a discrete
# symmetry and the other two are related by the same discrete symmetry (but
# do not possess it themselves). Further, the first block is twice the
# size of the latter two. For this situation and if the symmetry is chiral
# or time reversal symmetry, the full symmetry operators are:
n = 20
c_mat1 = np.kron(np.identity(n), np.diag([1, -1]))
c_mat2 = np.kron(np.identity(n // 2), np.diag([1, -1]))
sx = np.array([[0, 1], [1, 0]])
C_mat = la.block_diag(c_mat1, np.kron(sx, c_mat2))
assert np.allclose(C_mat.dot(C_mat), np.eye(C_mat.shape[0]))
t_mat = np.array(kwant.rmt.h_t_matrix['CII'])
t_mat1 = np.kron(np.identity(2 * n // len(t_mat)), t_mat)
t_mat2 = np.kron(np.identity(n // len(t_mat)), t_mat)
T_mat = la.block_diag(t_mat1, np.kron(sx, t_mat2))
assert np.allclose(T_mat.dot(T_mat.conj()), -np.eye(T_mat.shape[0]))
# The projectors that block diagonalize the Hamiltonian are
I = np.eye(4 * n)
projectors = [I[:, :2 * n], I[:, 2 * n:3 * n], I[:, 3 * n:]]
projectors = [sparse.csr_matrix(p) for p in projectors]
# The symmetry and projectors are in canonical form and they commute,
# so declaring should not throw an error or raise a warning.
U = sparse.csr_matrix(kwant.rmt.circular(4 * n, 'A', rng=234))
for (C, T) in [(sparse.csr_matrix(C_mat), None),
(None, sparse.csr_matrix(T_mat))]:
DiscreteSymmetry(projectors=projectors, chiral=C, time_reversal=T)
# Transform symmetries with a random unitary, such that they are
# no longer in canonical form, but leave projectors as is. An error
# should be thrown.
if C is not None: C = U.T.conj().dot(C).dot(U)
if T is not None: T = U.T.conj().dot(T).dot(U.conj())
raises(ValueError,
DiscreteSymmetry,
projectors=projectors,
chiral=C,
time_reversal=T)
def test_validate():
csr = sparse.csr_matrix
sym = DiscreteSymmetry(
projectors=[csr(np.array([[1], [0]])),
csr(np.array([[0], [1]]))])
assert sym.validate(csr(np.array([[0], [1]]))) == 'Conservation law'
assert sym.validate(np.array([[1], [0]])) is None
assert sym.validate(np.eye(2)) is None
assert sym.validate(1 - np.eye(2)) == 'Conservation law'
sym = DiscreteSymmetry(particle_hole=sparse.identity(2))
assert sym.validate(1j * sparse.identity(2)) is None
assert sym.validate(sparse.identity(2)) == 'Particle-hole'
sym = DiscreteSymmetry(time_reversal=sparse.identity(2))
assert sym.validate(sparse.identity(2)) is None
assert sym.validate(1j * sparse.identity(2)) == 'Time reversal'
sym = DiscreteSymmetry(chiral=csr(np.diag((1, -1))))
assert sym.validate(np.eye(2)) == 'Chiral'
assert sym.validate(1 - np.eye(2)) is None