Abstract
We show that two all-electron methods, the full-potential linearized augmented wave method and the projector augmented wave method, yield a metallic groundstate for , as opposed to the experimentally observed insulating groundstate. This is in contrast to previous pseudopotential calculations [Phys. Rev. B 71, 041102(R) (2005)], which suffered from an erroneous overestimation of the spin-enhancement factor and a resulting overestimation of the exchange splitting.
- Received 6 June 2005
DOI:https://doi.org/10.1103/PhysRevB.72.237101
©2005 American Physical Society