symmetry

Full name: ase2sprkkr.asr.utils.symmetry

Description

Utility module for handling symmetries.

Functions

_atoms2symmetry_gpaw(atoms[, id_a, tolerance])

Create gpaw.symmetry.Symmetry object from atoms object.

atoms2spgcell(atoms[, magmoms])

Convert an ase.Atoms object to spglib cell.

atoms2symmetry(atoms[, tolerance, ...])

Return a SimpleNamespace containing symmetries.

has_inversion(rotations_n)

Determine if atoms has inversion symmetry.

restrict_spin_projection_2d(kpt, op_scc, s_vm)

Restrict spin projections according to symmetry.