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We report tests of various density functionals for ferromagnetic, Fe, Co andNi with a focus on characterizing the behavior of the so-called stronglyconstrained and appropriately normed (SCAN) functional. It is found that SCANis closer in behavior to functionals that yield localized behavior, such ashybrid functionals, than other semilocal functionals that are tested. Theresults are understood in terms of a tendency to differentiate orbitals,favoring integer occupation, which is necessary for a correct description ofatomic systems, but inappropriate for the open shell metallic ferromagneticmetals studied here.

Density Functional Methods for the Magnetism of Transition Metals: SCAN in Relation to Other Functionals