Wannier Berri

A code for highly efficient Wannier interpolation.

Evaluation of k-space integrals of Berry curvature, orbital moment and derived quantities by means of MLWFs or tight-binding models. Compared to postw90.x part of Wannier90 code, it has extended functional and improved performance

Web page

http://wannier-berri.org

Mailing list:

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This code is intended for highly-efficient wannier interpolation. Being initially an analog of postw90.x part of Wannier90 code, it has extended functional and improved performance.

Improved performance and accuracy:

Wannier-Berri calculates Brillouin zone integrals very fast with high precision over an ultradense k-grid. This is achieved due to :

Using Fast Fourier Transform
account of symmetries, to reduce integration to irreducible part of the Brillouin zone
recursive adaptive refinement algorithm
optimized Fermi level scan
optimized minimal distanse replica method (use_ws_distance)

Implemented functionality:

Anomalous Hall conductivity
Orbital magnetization (modern theory)
Ohmic conductivity
Berry curvature dipole
gyrotropic magnetoelectric effect
Hall effect
Low-Field Hall effect

Other features:

Object oriented structure also makes it potentially easier to implement further features.
Calculations may also be performed for any tight-binding model, for which a "_tb.dat" file was generated in watever way.
WannierBerri can run in parallel by means of multiprocessing module

Installation

pip3 install wannierberri

Author

Stepan Tsirkin, University of Zurich

License

The code is distributed under the terms of GNU GENERAL PUBLIC LICENSE Version 2

Acknowledgements

The code was inspired by the Wannier90 Fortran code: http://www.wannier.org/ , https://github.com/wannier-developers/wannier90 . Some parts of the code are an adapted translation of postw90 code.

I acknowledge Ivo Souza for a useful discussion.