spglib

Full name: ase2sprkkr.bindings.spglib

Module class hierarchy

Inheritance diagram of ase2sprkkr.bindings.spglib.SpacegroupInfo

Description

Wrapper for spglib for computing symmetry of a primitive cell

Functions

possibly_equivalent_sites(atoms[, ...])

Return the object that describe equivalence classes of the atoms from the given Atoms object (i.e. in one equivalence class will be the atoms with the same atomic number, occupation, etc.).

Classes

SpacegroupInfo(atoms, spacegroup[, dataset, ...])

Class, that carry information about spacegroup and symmetry of a structure