[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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