Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
FIREFLY based comments on speeds and accuracies of SBKJC vs 6-31G?
This is the first time I am using SBKJC ECPs for the same samples for which I used 6-31G basis sets. Could anyone point out their speed and accuracy comparisons (Firefly based)? As per Jensen's book I read that for the second row elements, SBKJC gives almost same error as that of TZP. And I have never used TZPs. I have till now worked with only 6-31G and variants.
Tue Apr 15 '14 1:24pm
This message read 714 times