Secure your code as it's written. Use Snyk Code to scan source code in minutes - no build needed - and fix issues immediately.
symmetry = spglib.get_symmetry(silicon)
print("[get_symmetry]")
print(" Number of symmetry operations of silicon conventional")
print(" unit cell is %d (192)." % len(symmetry['rotations']))
show_symmetry(symmetry)
print('')
symmetry = spglib.get_symmetry_from_database(525)
print("[get_symmetry_from_database]")
print(" Number of symmetry operations of silicon conventional")
print(" unit cell is %d (192)." % len(symmetry['rotations']))
show_symmetry(symmetry)
print('')
reduced_lattice = spglib.niggli_reduce(niggli_lattice)
print("[niggli_reduce]")
print(" Original lattice")
show_lattice(niggli_lattice)
print(" Reduced lattice")
show_lattice(reduced_lattice)
print('')
mapping, grid = spglib.get_ir_reciprocal_mesh([11, 11, 11],
silicon_prim,
is_shift=[0, 0, 0])
num_ir_kpt = len(np.unique(mapping))
print("[get_ir_reciprocal_mesh]")
print(" Number of irreducible k-points of primitive silicon with")
print(" 11x11x11 Monkhorst-Pack mesh is %d (56)." % num_ir_kpt)
print('')