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

We present WannierBerri (WB) [1] - a new Python code for Wannier interpolation. WB is close in spirit to the postprocessing module of the well-known Wannier90 code [2] (postw90.x), but improves over it by implementing a number of methodological advances [3]; these include a combination of fast and slow Fourier transforms, explicit use of symmetries and recursive adaptive grid refinement among others. These methods boost the speed of computations by orders of magnitude, enabling to study more complex materials with higher accuracy without demanding enormous computational resources. A plethora of quantities are implemented, such as anomalous Hall conductivity, orbital magnetization, Berry curvature dipole, and spin Hall conductivity, among many others. WB is also capable of evaluating analytical covariant derivatives of the Berry curvature and orbital moment, which allows to study different magnetotransport phenomena, and also to implement Fermi-sea formulations of Berry dipole. More features, such as Wilson loops, magnetoresistance, and electrical magneto-chiral anisotropy, are under active development, and WB aims to serve as a platform for developing new Wannier interpolation functionalities.
[1] http://wannier-berri.org
[2] http://wannier.org
[3] https://arxiv.org/abs/2008.07992