Self-interaction correction with Wannier functions

We describe the behavior of the Perdew-Zunger self-interaction-corrected local density approximation (LDA) functional when implemented in a plane-wave pseudopotential formalism with Wannier functions. Prototypical semiconductors and wide-band-gap oxides show a large overcorrection of the LDA band gap. Application to transition-metal oxides and elements with d electrons is hindered by a serious breaking of the spherical symmetry, which appears even in a closed-shell free atom. Our results indicate that, when all spherical approximations are lifted, the general applicability of orbital-dependent potentials is very limited and should be reconsidered in favor of rotationally invariant functionals.