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Recently, Engel and Vosko have proposed an alternative form of a generalized gradient approximation (GGA) Phys. Rev. B 47, 13 164 (1993) within density-functional theory. This version of the GGA (EV93) was obtained by optimizing the exchange-correlation potential Vₗ₂ instead of the corresponding energy Eₗ₂. We have applied this functional to various solids and found that equilibrium lattice constants generally are far too large in comparison to experiment, so that the total-energy aspect is unsatisfactory. However, EV93 describes FeO and CoO as antiferromagnetic insulators, while the local-spin-density approximation or the Perdew-Wang version of the GGA yields a metallic ground state. EV93 favors magnetism, e. g. , the spin susceptibility of V is increased, but Pd remains nonmagnetic in agreement with experiment.
Dufek et al. (Thu,) studied this question.