AiiDAlab Quantum ESPRESSO plugin: Wannier90

A plugin for running Wannier calculations inside the AiiDAlab Quantum ESPRESSO App.

Features

• Band structure comparison with DFT bands.

• With predefined protocols (moderate, precise, fast).

• Optional real-space Wannier functions (3D visualization) with the atomic structure.

Contents:

• Installation
• Wannier calculation inside AiiDAlab

How to cite

If you use the package for research, please follow these links to:

• cite AiiDA Wannier90 workflow

• cite AiiDA

• cite AiiDAlab

• cite AiiDAlab Quantum ESPRESSO app

• cite Quantum ESPRESSO

• cite Wannier90

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Acknowledgements

We acknowledge support from:

• MARVEL National Centre for Competency in Research funded by the Swiss National Science Foundation.

• MaX European Centre of Excellence funded by the Horizon 2020 EINFRA-5 program (Grant No. 676598).

• DOME 4.0 project funded by the EU Horizon 2020 Research and Innovation Programme (Grant No. 953163).