About
koopmans
is a package for performing Koopmans spectral functional calculations with Quantum ESPRESSO
, developed by researchers in the THEOS research group at EPFL.
The package includes…
the official version of
Quantum ESPRESSO
, which contains Koopmans functionals implemented with a \(k\)-point frameworka modified version of
Quantum ESPRESSO v4.1
with Koopmans functionals implemented within thecp.x
code (\(\Gamma\)-only)koopmans
, a python package and executable that makes running Koopmans spectral calculations with the above codes easy!