Computational chemistry revPBE0 functional in QE or LIBXC
Topic starter 02/12/2022 3:27 pm
Does anyone know if the rev-PBE0 functional is implemented in the Quantum Espresso code or if it available at libxc? I know that it is available in other codes like CP2K or VASP, but I can't find the reference for this approach.
Thank you in advance!
02/12/2022 4:19 pm
Good day! Unfortunately, you're right, there is no such functional in Quantum Espresso. However libxc has one.