Project description

aiida-wannier90-workflows

Advanced AiiDA workflows for automated Wannierisation.

The protocol for automating the construction of Wannier functions is discussed in the following articles

Junfeng Qiao, Giovanni Pizzi, Nicola Marzari, Projectability disentanglement for accurate and automated electronic-structure Hamiltonians, arXiv:2303.07877; https://arxiv.org/abs/2303.07877, https://archive.materialscloud.org/record/2023.44.
Valerio Vitale, Giovanni Pizzi, Antimo Marrazzo, Jonathan Yates, Nicola Marzari, Arash Mostofi, Automated high-throughput Wannierisation, npj Computational Materials 6, 66 (2020); https://arxiv.org/abs/1909.00433, https://www.nature.com/articles/s41524-020-0312-y, https://doi.org/10.24435/materialscloud:2019.0044/v2.

Or install the development version by

git clone https://github.com/aiidateam/aiida-wannier90-workflows.git
cd aiida-wannier90-workflows/
pip install -e .

These details have not been verified by PyPI

2.3.0

Oct 1, 2024

2.2.0

Nov 23, 2023

This version

2.1.0

Jul 4, 2023

1.0.2

Jul 13, 2022

1.0.1

Mar 19, 2020

1.0.0

Mar 18, 2020

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Uploaded Jul 4, 2023 Source

Uploaded Jul 4, 2023 Python 3

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