[DFTB-Plus-User] SK parameters for Phosphorus for LC-TD-DFTB

[Mgcf Departmental]

Hi,

I'm interested in doing LC-TD-DFTB calculations on a molecule that contains
(C, H, N, O, P) atoms.  I've used the ob2 slater-koster set for a related
molecule with just C,H,N,O atoms, and the results were promising, so I'd
like to apply the method to the P-containing molecule as well.  Does anyone
know if there exist compatible SK parameters for this?  I've tried
searching the web but didn't find anything.

thanks,
David Small


Dr Kathleen A Durkin,  Dr Dave Small and Dr. Azhagiya Singam
Molecular Graphics and Computation Facility, College of Chemistry
University of California, Berkeley, CA 94720-1460
https://mgcf.cchem.berkeley.edu/
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