Band gaps of halide perovskites from a Wannier-localized optimally tuned screened range-separated hybrid functional

The accurate prediction of the band gaps halide perovskites within density functional theory is known to be challenging. recently developed Wannier-localized optimally tuned screened range-separated hybrid was shown highly for fundamental standard semiconductors and insulators. This achieved by selecting parameters satisfy an ansatz that generalizes ionization potential theorem removal charge from a state corresponds Wannier function. Here, we present applications method typical perovskites. We find satisfyingly small formal mean absolute error $\ensuremath{\sim}$0.1 eV with respect experimental very good agreement previous many-body perturbation calculations.