spin-orbital potential

Clicked A Few Times

7:33:49 AM PDT - Sat, Oct 27th 2012
As mentioned in the documentation that the spin-orbital potential is not included in the basis set library, can anyone show me where to get the SO potential? Thanks in advance!

Forum Vet

10:44:57 AM PDT - Mon, Oct 29th 2012
Three places are: 1. Published papers associated with the ECP 2. http://www.tc.uni-koeln.de/PP/clickpse.en.html for Stuttgart potentials 3. http://people.clarkson.edu/~pchristi/reps.html for CRENBL/S potentials Make sure to get the right spin-orbit potential that goes with the ECP. Bert Quote:Zzdbl520 Oct 27th 2:33 pm As mentioned in the documentation that the spin-orbital potential is not included in the basis set library, can anyone show me where to get the SO potential? Thanks in advance!