Kondov diabatization + G0W0

[Lorenzo Lagasco]

Good evening everyone,

I am using the Kondov diabatization scheme implemented in CP2K for ENERGY calculations for the first time. So far, I have performed these calculations mainly at the PBE level of theory (with Hubbard correction) or, at most, using hybrid functionals. I would like to ask whether it is possible to extend this strategy within the GW formalism, in particular by applying a G₀W₀ correction prior to the diabatization step.  

Thank you for your help.

Lorenzo