[DFTB-Plus-User] Charge transfer integrals

[Silvio a Beccara]

Dear users,

I would like to calculate charge transfer integrals for a few organic
molecules using DFTB+, as in J. Phys. Chem. B 2008, 112, 7937–7947. To this
goal I need to have Slater-Koster files produced with a relaxed confinement
radius,
in order for the atomic orbitals to be more diffused in space. I would need
the following elements: C, H, N, O, S. Could anyone help me with this issue?

Thanks and regards

Silvio a Beccara
FBK Foundation
Trento - ITALY
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