Posted by Ignacio Fdez. Galván on December 05, 2015 at 17:40:12:
In Reply to: Question on CASPT2 gradients posted by Evgeniy on December 02, 2015 at 17:49:43:
Don't count on it. (This isn't a "no, never", but don't get your hopes high.)
But you may expect other gradient improvements, check the upcoming Molcas 8 paper in JCC.
Post a Followup