CRENBL spin-orbit ECP

Clicked A Few Times	2:15:59 PM PDT - Wed, Sep 10th 2014 Hi, all, I'm trying to run a spin-orbit DFT calculation which requires spin-orbit effective core potentials. I plan to use CRENBL ECP and the corresponding SO-ECP. NWCHEM documentation said "On the CRENBL website the spin-orbit potentials already have been corrected with the 2 / l factor". Could anyone point me out how I can get access to the CRENBL website and get the potentials with corrected factors? (rather than the original potentials in the literature) Thank you1 YJ

Forum Vet	2:46:50 PM PDT - Wed, Sep 10th 2014 This should be what you are looking for http://people.clarkson.edu/~pchristi/reps.html

Clicked A Few Times	7:28:32 PM PDT - Wed, Sep 10th 2014 Thank youQ

Forum >> NWChem's corner >> General Topics