[DFTB-Plus-User] Long-range Corrected Density Functional Tight Binding
toufik esssakhri
tousak at hotmail.fr
Thu Mar 26 10:42:18 CET 2020
Dear all,
I am wondering if we can do Long-range Corrected Density Functional Tight Binding (LC-DFTB2) with pbc Slater-Koster set?
My aim is to improve TDDFTB results. Calculated DFTB gap is about 7 eV but the first excitation at 10.7 eV.
Regards,
Taoufik
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