[CP2K-user] [CP2K:22229] 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

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