https://github.com/lxvm/autobz.jl

Automatic and adaptive BZ integration for electronic properties
https://github.com/lxvm/autobz.jl

Last synced: 2 months ago
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Automatic and adaptive BZ integration for electronic properties

• Host: GitHub
• URL: https://github.com/lxvm/autobz.jl
• Owner: lxvm
• License: mit
• Created: 2022-06-24T22:37:39.000Z (over 2 years ago)
• Default Branch: main
• Last Pushed: 2024-11-15T00:43:45.000Z (2 months ago)
• Last Synced: 2024-11-15T01:27:47.705Z (2 months ago)
• Language: Julia
• Homepage: https://lxvm.github.io/AutoBZ.jl/
• Size: 4.34 MB
• Stars: 5
• Watchers: 2
• Forks: 1
• Open Issues: 5
• Metadata Files:
  • Readme: README.md
  • Contributing: CONTRIBUTING.md
  • License: LICENSE
  • Citation: CITATION.cff

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README

        
# AutoBZ

[![DOI](https://joss.theoj.org/papers/10.21105/joss.07080/status.svg)](https://doi.org/10.21105/joss.07080)

[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.13915618.svg)](https://doi.org/10.5281/zenodo.13915618)

| Documentation | Build Status | Coverage |

| :-: | :-: | :-: |

| [![][docs-stable-img]][docs-stable-url] | [![][action-img]][action-url] | [![][codecov-img]][codecov-url] |

| [![][docs-dev-img]][docs-dev-url] |  | [![][aqua-img]][aqua-url] |

`AutoBZ` is an applications library for Brillouin zone integration, including

integrators for density of states, electron density, and optical conductivity.

The methods it uses are high-order accurate, adaptive and well-suited to Wannier

interpolation. Thus, they can reliably resolve sub-meV scale spectral features

with reasonable compute times. For further information and tutorials, please see

[the documentation](https://lxvm.github.io/AutoBZ.jl/stable/).

## Research and citation

If you use AutoBZ.jl in your software or published research works, please

cite our JOSS paper in addition to one or both of the following. Citations help to encourage the development

and maintenance of open-source scientific software.

- Our JOSS paper for this repository: [AutoBZ.jl: Automatic, adaptive Brillouin zone integration of response functions using Wannier interpolation](https://doi.org/10.21105/joss.07080).

- Our preprint on optical conductivity integration: [High-order and adaptive

  optical conductivity calculations using Wannier interpolation. Lorenzo Van

  Muñoz, Jason Kaye, Alex Barnett and Sophie Beck](https://arxiv.org/abs/2406.15466).

- Our paper on BZ integration: [Automatic, high-order, and adaptive algorithms

  for Brillouin zone integration. Jason Kaye, Sophie Beck, Alex Barnett, Lorenzo

  Van Muñoz, Olivier Parcollet. SciPost Phys. 15, 062 (2023)](https://scipost.org/SciPostPhys.15.2.062).

## Author and Copyright

AutoBZ.jl was written by [Lorenzo Van Muñoz](https://web.mit.edu/lxvm/www/),

and is free/open-source software under the MIT license.

## Related packages

- [AutoBZCore.jl](https://github.com/lxvm/AutoBZCore.jl)

- [HChebInterp.jl](https://github.com/lxvm/HChebInterp.jl)

- [SymmetryReduceBZ.jl](https://github.com/jerjorg/SymmetryReduceBZ.jl)

[docs-stable-img]: https://img.shields.io/badge/docs-stable-blue.svg

[docs-stable-url]: https://lxvm.github.io/AutoBZ.jl/stable/

[docs-dev-img]: https://img.shields.io/badge/docs-dev-blue.svg

[docs-dev-url]: https://lxvm.github.io/AutoBZ.jl/dev/

[action-img]: https://github.com/lxvm/AutoBZ.jl/actions/workflows/CI.yml/badge.svg?branch=main

[action-url]: https://github.com/lxvm/AutoBZ.jl/actions/?query=workflow:CI

[codecov-img]: https://codecov.io/github/lxvm/AutoBZ.jl/branch/main/graph/badge.svg

[codecov-url]: https://app.codecov.io/github/lxvm/AutoBZ.jl

[aqua-img]: https://raw.githubusercontent.com/JuliaTesting/Aqua.jl/master/badge.svg

[aqua-url]: https://github.com/JuliaTesting/Aqua.jl