rocksalt

sisl.geom.rocksalt(alat: float, atoms: sisl.typing.AtomsLike, orthogonal: bool = False) → Geometry

Two-element rocksalt lattice with 2 (non-orthogonal) or 8 atoms (orthogonal)

This is equivalent to the NaCl crystal structure (halite).

Parameters:

• alat – lattice parameter

• atoms (Atom) – a list of two atoms that the crystal consists of

• orthogonal – whether the lattice is orthogonal or not