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Maximally localized Wannier functions in LaMnO<sub>3</sub>within PBE +<i>U</i>, hybrid functionals and partially self-consistent GW: an efficient route to construct<i>ab initio</i>tight-binding parameters for e<sub>g</sub>perovskites
Using the newly developed VASP2WANNIER90 interface we have constructed maximally localized Wannier functions (MLWFs) for the e_g states of the prototypical Jahn-Teller magnetic perovskite LaMnO3 at different levels of approximation for the exchange-correlation kernel. These include conventional density functional theory (DFT) with and without additional on-site Hubbard U term, hybrid-DFT, …