Stepan S. Tsirkin^1*

1 Department of Physics, University of Zurich, Winterthurerstrasse 190, CH-8057 Zurich, Switzerland

* Corresponding authors emails: stepan.tsirkin@uzh.ch

DOI10.24435/materialscloud:1r-8w [version v1]

Publication date: Dec 23, 2020

How to cite this record

Stepan S. Tsirkin, High performance Wannier interpolation of Berry curvature and related quantities with WannierBerri code, Materials Cloud Archive 2020.171 (2020), doi: 10.24435/materialscloud:1r-8w.

Description

The article presents a series of methods that boost the speed of Wannier interpolation by several orders of magnitude, as well as their implementation in the WannierBerri code. The present dataset contains input files, scripts, and the resulting data, which allow to reproduce the examples and figures published in the article. The current version of the code is also included.

Materials Cloud sections using this data

Files

File name	Size	Description
wannierberri.tar.gz MD5md5:aa51d395e6def180567ebc4963c16b04	64.8 KiB	the current version of the code v0.7.6 ( 16.12.2020 )
run_calc.py MD5md5:629ac69172eaf96b6d20dadfa62f8c02	4.5 KiB	a Python script to run the calculations
input.tar.gz MD5md5:5c2ddff8701f6d576d70220564061487	99.4 KiB	the input files' templates for the calculations
results.tar.gz MD5md5:1a0896c1ded93bb57a5d27069d5fb1c0	86.2 MiB	the results of calculations
reference.tar.gz MD5md5:3b4254f35b3ef4d34828265b7c20c1b9	215.2 MiB	the intermediate files for a reference, or to start a calculation skipping the PWSCF calculations
kmesh.pl MD5md5:900131388110c29edcf9c35e800e6d89	1.2 KiB	generator of kpoint lists - copied from Wannier90

License

Files and data are licensed under the terms of the following license: Creative Commons Attribution 4.0 International.
Metadata, except for email addresses, are licensed under the Creative Commons Attribution Share-Alike 4.0 International license.

External references

Keywords

Wannier functions Berry curvature Anomalous Hall effect MARVEL/DD6 SNSF ERC