Posted by Roland Lindh on March 15, 2005 at 08:26:57:
In Reply to: CASPT2 hessian? posted by Kevin Bartlett on March 14, 2005 at 23:54:28:
Dear Kevin,
this combination is allowed. The Slapaf module doen't care if the gradients are analytic as for Alaska or if they are numerical. The only problem is the time, but if the system is small that is something one can live with.
-roland