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.



.. toctree::
   :maxdepth: 1
   :caption: Contents:

   installation
   quickstart



How to cite
===========

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

- `cite AiiDA Wannier90 workflow <https://github.com/aiidateam/aiida-wannier90-workflows>`_
- `cite AiiDA <https://aiida.readthedocs.io/projects/aiida-core/en/latest/#how-to-cite>`_
- `cite AiiDAlab <https://aiidalab.readthedocs.io/en/latest/index.html#how-to-cite>`_
- `cite AiiDAlab Quantum ESPRESSO app <https://aiidalab-qe.readthedocs.io/#how-to-cite>`_
- `cite Quantum ESPRESSO <https://www.quantum-espresso.org/Doc/user_guide/node6.html>`_
- `cite Wannier90 <http://www.wannier.org/>`_

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Acknowledgements
================

We acknowledge support from:

- `MARVEL National Centre for Competency in Research <http://nccr-marvel.ch>`_ funded by the `Swiss National Science Foundation <http://www.snf.ch/en>`_.
- `MaX European Centre of Excellence <http://www.max-centre.eu/>`_ funded by the Horizon 2020 EINFRA-5 program (Grant No. 676598).
- `DOME 4.0 project <https://dome40.eu/>`_ funded by the EU Horizon 2020 Research and Innovation Programme (Grant No. 953163).