Posted by Leon Freitag on December 09, 2013 at 14:19:21:
In Reply to: RASSCF calculation not converging posted by Reece on December 05, 2013 at 12:00:32:
I ran some RASSCF calculations on transition metal systems and the Quasi-Newton procedure usually had poor convergence (not only for the BLB values). You can try the 'NOQuNe' keyword in the RASSCF input to disable QN.
Hope that helps
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