Ferromagnetic nickel: Self‐consistent calculation of energy bands

Generalized Wannier functions defined for a complex of bands are used to fit reliably an MAPW band structure of paramagnetic nickel up to about 1.5 Ryd above the Fermi energy. By adding intra‐atomic Coulomb interaction according to Hubbard the Hamiltonian of the ferromagnetic state is constructed and is solved self‐consistently. The exchange splitting is found considerably k‐dependent. In addition, spin–orbit coupling is taken into account.