[molpro-user] Is there advantage to using RS2 gradient program for SA-MCSCF gradients?
Dr. Seth Olsen
s.olsen1 at uq.edu.au
Thu Oct 12 16:38:21 BST 2006
Is there any advantage to using the RS2 gradient program to calculate
state averaged MCSCF gradients? The manual mentions that it can be
done, but is it advisable?
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