[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

Hi Molpro-Users,

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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