Generalize HYB-PBE0 to arbitrary HFX portions

dftbplus / skprogs

Basic programs for generating Slater-Koster files for the DFTB-method

GNU Lesser General Public License v3.0

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Closed vanderhe closed 1 year ago

vanderhe commented 1 year ago

Generalizes the global hybrid PBE0 (or PBEh) to user-specified HFX portions.