糖心TV

I will present an efficient first-principles approach to calculate Fermi surface averages and spectral properties of solids, and use it to compute the anomalous Hall conductivity and magneto-optical absorption of iron. The method works by mapping the low-energy electronic structure onto a set of maximally-localised, partially occupied Wannier functions. In this way we can calculate Brillouin zone averages at ab-initio accuracy with only tight-binding cost.