Freezing CI coefficients


[ Molcas user's WWWBoard ]

Posted by David Robinson on February 06, 2008 at 16:24:05:

Dear Molcas users,

Is it possible to freeze the CI coefficients for a few iterations of the orbital optimization?


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 ]