[molpro-user] Convergence problems for an already GAUSSIAN optimized geometry

Holger VACH vach at leonardo.polytechnique.fr
Mon Aug 13 14:49:09 BST 2007


Dear Colleague,

I've just run into exactly the same problem as you and I was wondering 
if you had found a solution to it meanwhile; i.e., did you find a way to 
increase the maximum number of allowed optimization steps beyond 100?

Many thanks in advance for any hint!
Cheers,

Holger Vach



More information about the Molpro-user mailing list