.:: . .::: :::. :::. :::.:::. :::. :::.,:::::: :::::::.. :::::::. .,:::::: :::::::.. :::::::.. :::
';;, ;; ;;;' ;;`;; `;;;;, `;;;`;;;;, `;;; ;;;;;;;'''' ;;;;``;;;; ;;;'';;' ;;;;'''' ;;;;``;;;; ;;;;``;;;; ;;;
'[[, [[, [[' ,[[ '[[, [[[[[. '[[ [[[[[. '[[ [[[ [[cccc [[[,/[[[' [[[__[[\. [[cccc [[[,/[[[' [[[,/[[[' [[[
Y$c$$$c$P c$$$cc$$$c $$$ "Y$c$$ $$$ "Y$c$$ $$$ $$"""" $$$$$$c $$""""Y$$ $$"""" $$$$$$c $$$$$$c $$$
"88"888 888 888, 888 Y88 888 Y88 888 888oo,__ 888b "88bo, _88o,,od8P 888oo,__ 888b "88bo, 888b "88bo,888
"M "M" YMM ""` MMM YM MMM YM MMM """"YUMMM MMMM "W" ""YUMMMP" """"YUMMM MMMM "W" MMMM "W" MMM
a.k.a. Wannier19
__ ___
|_ (_ |_ _ _ _ _ | _ . _ | . _
|_) \/ __) |_ (- |_) (_| | ) | _) | | |( | | )
/ | ```
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 :
1) Using Fast Fourier Transform
2) account of symmetries, to reduce integration to irreducible part of the Brillouin zone
3) recursive refinement algorithm
4) 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 "tutorial/example.py". That will produce AHC and tabulate the berry curvature and velocity of bcc iron.
The user manual is under construction, and can be viewed as a work in progress at https://www.overleaf.com/read/kbxxtfbnjvxx
AHC can also be calcualted for any tight-binding model, for which a "_tb.dat" file was generated in watever way.
WannierBerri can be run in parallel by means of multiprocessing module
installation is possible by pip
pip3 install wannierberri
The project started on June, 25th 2019.
Any interest from the community will be motivating for developing.
Stepan Tsirkin,
University of Zurich
stepan.tsirkin@physik.uzh.ch