Posted by John Nash on June 21, 2004 at 22:04:39:

I am having trouble with a RASSCF optimization... In the first step, the RASSCF energy converges, but the CI does not. The value of "MAXJT" is increased by 2 (automatically) several times during the RASSCF calculation, but the CI still does not converge. Is there a way to increase the maximum number of iterations for MAXJT? Or, is there another possible solution?

Any help would be much appreciated!

- Re: RASSCF CI convergence
**Wenli Zou***16:05:57 2/24/05*(0) - Re: RASSCF CI convergence
**Björn Roos***15:27:03 6/29/04*(0)