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A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code

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aiidateam/aiida-wannier90-workflows

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aiida-wannier90-workflows

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Advanced AiiDA workflows for automated Wannierisation.

The protocol for automating the construction of Wannier functions is discussed in the articles listed in the Support and citations.

Installation

  1. Install latest release by

    pip install aiida-wannier90-workflows
  2. Or install the development version by

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

Examples

See the examples folder on how to use the workflows.

Support and citations

If you find this package useful, please cite the following articles

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A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code

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