AutoBZ
December 17, 2024 · View on GitHub
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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.
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.
- 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.
Our calculations are reproducible using the code in the following repository: https://github.com/lxvm/AutoBZOC.jl
- 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).
Author and Copyright
AutoBZ.jl was written by Lorenzo Van Muñoz, and is free/open-source software under the MIT license.