[DFTB-Plus-User] optimize_molecular_junction_geometry

[keshtan]

Dear All,


I am going to optimize a molecular junction with gold electrodes 
geometry, therefore I need to use auorg SK parameters. So, I am 
wondering whether I need to use the `OrbitalResolvedSCC = Yes` condition 
in my calculation and include the parameters in my hsd input file, since 
they mentioned in their read me file it designed to describe the optical 
excitations and I do not need to calculate it.

I really appreciate your considerations.


Sincerely,

M.A.M.Keshatn