wannierberri 26.4

Constructuion of Wannier functions and Wannier interpolation

Wannier Berri

A code for construction of Wannier functions and Wannier interpolation.

• Symmetry-adapted Wannier functions
• Symmetrization of the Hamiltonian and matrix elements
• Fast evaluation of k-space integrals
• Berry-type quantities:
  • Berry curvature
  • Orbital moment
  • Berry curvature dipole
  • Gyrotropic magnetoelectric effect
  • Anomalous Hall conductivity
  • Optical conductivity
  • Low-field Hall effect
  • eMChA
  • and many more

Web page

http://wannier-berri.org

Full documentation

https://docs.wannier-berri.org/

Tutorials

https://tutorial.wannier-berri.org

Feedback

Preferably, Discussions and Issues on GitHub should be used for consultations.

To subscribe, send an email to [e-mail] with the subject:

subscribe wannier-berri Firstname Lastname

or visit: https://physik.lists.uzh.ch/sympa/info/wannier-berri

Improved performance and accuracy

Wannier-Berri calculates Brillouin-zone integrals very fast with high precision over an ultra-dense k-grid. This is achieved by:

• Fast Fourier Transform
• Symmetry reduction to the irreducible Brillouin zone
• Recursive adaptive refinement
• Optimized Fermi-level scan
• Optimized minimal-distance replica method (use_ws_distance)

Other features

• Object-oriented structure that makes extending features easier
• Support for tight-binding models and k·p models, not only Wannier functions
• Parallel execution via the ray module

Installation

pip install wannierberri[default]

Optionally:

• minimal install: pip install wannierberri
• full install: pip install wannierberri[all]

Author

Stepan Tsirkin

University of Zurich
At present: EPFL, Lausanne, Switzerland

License

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