About
=====

``koopmans`` is a package for performing Koopmans spectral functional calculations with ``Quantum ESPRESSO``, developed by researchers in the `THEOS <http://theossrv1.epfl.ch/>`_ research group at `EPFL <https://www.epfl.ch/en/>`_.

The package includes...

* the official version of ``Quantum ESPRESSO``, which contains Koopmans functionals implemented with a :math:`k`-point framework  
* a modified version of ``Quantum ESPRESSO v4.1`` with Koopmans functionals implemented within the ``cp.x`` code (:math:`\Gamma`-only)  
* ``koopmans``, a python package and executable that makes running Koopmans spectral calculations with the above codes easy!