wannier90
=========

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

About
-----

`wannier90`_ is an open-source code (released under GPLv2) for generating maximally-localized Wannier functions and using them to compute advanced electronic properties of materials with high efficiency and accuracy.

Supported versions
------------------

To check which wannier90 versions and build types are currently supported on Discoverer, execute on the login node:

.. code-block:: bash

 module avail wannier90

The recipe followed to build the source code is available at:

https://gitlab.discoverer.bg/vkolev/recipes/-/tree/main/wannier90

Loading/Compiler affinity
-------------------------

Currently, we support only :doc:`oneapi` build.

Intel oneAPI (Open MPI)
.......................

.. code-block:: bash

 module avail wannier90/*/*-intel-openmpi

Intel oneAPI (MPICH)
....................

.. code-block:: bash

 module avail wannier90/*/*-intel-openmpi

Getting help
------------

See :doc:`help`

.. _`wannier90`: https://wannier.org/