spin-orbital potential


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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!