Title: Embedding for bulk systems using localized atomic orbitals,
Abstract: We present an embedding approach for semiconductors and insulators based on
or- bital rotations in the space of occupied Kohn-Sham orbitals. We have
implemented our approach in the popular VASP software package. We demonstrate
its power for defect structures in silicon and polaron formation in titania,
two challenging cases for conventional Kohn-Sham density functional theory.