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B..4.1 Basis set updates

Correlation consistent basis sets for Li, Be, Na, and Mg have been updated to their official versions as reported in Prascher et al., Theor. Chem. Acc. (2010). These now also include core-valence, diffuse augmented, and Douglas-Kroll relativistically contracted versions. The previous sets are still available but have been renamed vdz-old, vtz-old, etc.



molpro@molpro.net 2018-04-20