Implementation of the projector augmented-wave LDA+U method: Application to the electronic structure of NiO

The so-called local-density approximation (LDA) plus the multiorbital mean-field Hubbard model (LDA+U) has been implemented within the all-electron projector augmented-wave method, and then used to compute the insulating antiferromagnetic ground state of NiO and its optical properties. The electroni... View More