High performance Wannier interpolation of Berry curvature and related quantities with WannierBerri code

Abstract Wannier interpolation is a powerful tool for performing Brillouin zone integrals over dense grids of k points, which are essential to evaluate such quantities as the intrinsic anomalous Hall conductivity or Boltzmann transport coefficients. However, more complex physical problems and materials create harder numerical challenges, computations with existing codes become very expensive, often prevents reaching desired accuracy. In this article, I present series methods that boost speed by several orders magnitude. They include combination fast slow Fourier transforms, explicit use symmetries, recursive adaptive grid refinement among others. The proposed methodology has been implemented in python code WannierBerri, also aims serve convenient platform future development schemes other phenomena.