P. Novak et J. Kuriplach, AB-INITIO CALCULATION OF CRYSTAL-FIELD PARAMETERS IN SEVERAL RT5 (R=RARE EARTH T=CO,NI) COMPOUNDS, IEEE transactions on magnetics, 30(2), 1994, pp. 1036-1038
Electronic structure of RNi5 (R=Nd, Sm, Eu, Gd) and SmCo5 compounds is
calculated using the FLAPW method. The parameters of the effective cr
ystal field hamiltonian acting on 4f states of the rare-earth atom are
then determined from the nonspherical part of the crystal potential.