Re: MS-CASPT2 numerical gradient


[ Molcas user's WWWBoard ]

Posted by Roland Lindh on February 14, 2006 at 13:01:24:

In Reply to: MS-CASPT2 numerical gradient posted by Takao Kobayashi on February 02, 2006 at 08:38:32:

Hi,
with the numerical gradient option this should be possible.

-roland


Follow Ups:



Post a Followup

Name:
E-Mail:

Subject:

if B is 1s22s22p1, what is Li?

Passfield:

Comments:


[ Follow Ups ] [ Post Followup ] [ Molcas user's WWWBoard ]