Magnetism¶

class py4vasp.raw.Magnetism(structure: ~py4vasp._raw.data.Structure, spin_moments: ~py4vasp._raw.data_wrapper.VaspData, orbital_moments: ~py4vasp._raw.data_wrapper.VaspData = <factory>)¶

Bases: object

The local charges and magnetic moments on the ions.

The projection on orbitals and atoms (LORBIT) distributes all bands over all ions according to the overlap with local projectors. This information reveals which ions and orbitals contribute to the magnetism in the system. VASP stores the projection for every step of a simulation so that one can monitor changes along a relaxation or MD run.