Advanced tool for Wannier interpolation
========= 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
To subscribe please send an email to email@example.com with the subject subscribe wannier-berri Firstname Lastname or visit the list homepage https://physik.lists.uzh.ch/sympa/info/wannier-berri
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 (
- Anomalous Hall conductivity
- Orbital magnetization (modern theory)
- Ohmic conductivity
- Berry curvature dipole
- gyrotropic magnetoelectric effect
- Hall effect
- Low-Field Hall effect
- 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
pip3 install wannierberri
Stepan Tsirkin, University of Zurich
The code is distributed under the terms of GNU GENERAL PUBLIC LICENSE Version 2, the same as Wannier90
I acknowledge Ivo Souza for a useful discussion.
Release history Release notifications | RSS feed
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
|Filename, size||File type||Python version||Upload date||Hashes|
|Filename, size wannierberri-0.9.2.2-py3-none-any.whl (103.8 kB)||File type Wheel||Python version py3||Upload date||Hashes View|
Hashes for wannierberri-0.9.2.2-py3-none-any.whl