materialscloud:2020.171
Published December 23, 2020 | Version v1
Dataset Open

High performance Wannier interpolation of Berry curvature and related quantities with WannierBerri code

Creators

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

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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.

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md5:7c50cd31291d61ac0e36e0516ba513f2
564 Bytes Preview Download
md5:5c2ddff8701f6d576d70220564061487
99.4 KiB Download
md5:900131388110c29edcf9c35e800e6d89
1.2 KiB Download
md5:3b4254f35b3ef4d34828265b7c20c1b9
215.2 MiB Download
md5:1a0896c1ded93bb57a5d27069d5fb1c0
86.2 MiB Download
md5:629ac69172eaf96b6d20dadfa62f8c02
4.5 KiB Download
md5:aa51d395e6def180567ebc4963c16b04
64.8 KiB Download

References

Journal reference (Article that describes the methodology of the WannierBerri code.)
Stepan S. Tsirkin, npj Comput Mater 7, 33 (2021)., doi: 10.1038/s41524-021-00498-5

Preprint (Article that describes the methodology of the WannierBerri code.)
S.S. Tsirkin, arXiv:2008.07992 (accepted in npj Computational Materials )

Software (Repository of the code)
S.S. Tsirkin, WannierBerri code on Github