Advanced tool for Wannier interpolation
___ __ _____ _____________ __ | / /______ ________ _______ ___(_)_____ ________ __< /__ __ \ __ | /| / / _ __ `/__ __ \__ __ \__ / _ _ \__ ___/ __ / _ /_/ / __ |/ |/ / / /_/ / _ / / /_ / / /_ / / __/_ / _ / _\__, / ____/|__/ \__,_/ /_/ /_/ /_/ /_/ /_/ \___/ /_/ /_/ /____/ __ ___ |_ (_ |_ _ _ _ _ | _ . _ | . _ |_) \/ __) |_ (- |_) (_| | ) | _) | | |( | | ) / |
I started this project by python realization of some of postw90 functional. Some parts of the code are an adapted translation of Wannier90 Fortran code: http://www.wannier.org/ https://github.com/wannier-developers/wannier90
The code is distributed under the terms of GNU GENERAL PUBLIC LICENSE Version 2, the same as Wannier90
At the moment the code calculates Anomalous Hall conductivity very fast (much faster then wannier90) 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 refinement algorithm
- optimizing the implementation of scan of Fermi level and 'use_ws_distance' parameter (see wannier90 documentation for details)
Object oriented structure also makes it potentially easier to implement further features.
The usage of the code is demonstrated by "exampleFe" in the examples folder. AHC can also be calcualted for any tight-binding model, for which a "_tb.dat" file was generated in watever way.
wannier19 can be run in parallel by means of multiprocessing module
instllation is possible by pip
pip install wannier19
A simple exmple is contained in "tutorial/example.py" . That will produce AHC and tabulate the berry curvature and velocity of bcc iron more sofisticated features will be described soon.
The project started on June, 25th 2019. Any interest from the community will be motivating for developing.
Stepan Tsirkin, University of Zurich email@example.com
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 wannier19-0.1.1-py3-none-any.whl (40.3 kB)||File type Wheel||Python version py3||Upload date||Hashes View hashes|
|Filename, size wannier19-0.1.1.tar.gz (24.0 kB)||File type Source||Python version None||Upload date||Hashes View hashes|
Hashes for wannier19-0.1.1-py3-none-any.whl