epfl-theos/koopmans

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koopmans For performing Koopmans spectral functional calculations with Quantum ESPRESSO Directories This repository contains... bin/ executables (N.B. this directory does not need to be added to $PATH) docs/ documentation (see https://koopmans-functionals.org/) src/ source code quantum_espresso/ modified versions of Quantum ESPRESSO that contain implementations of the Koopmans functionals pseudos/ pseudopotentials requirements/ python dependencies tests/ test suite tutorials/ tutorials Installation Quick...