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GrEv
grevgen13@gmail.com

I am trying to do IRC from a saddle point. The imaginary frequency is however relatively small (290 cm^-1), which seems to cause a problem for IRC. Namely, IRC stops already at the first point with the message:

!!!!! TOO MANY STEPS TAKEN IN CONSTRAINED OPTIMIZATION
MAX GIVEN (MXOPT) =    50

I am stumped for making it work. I guess, a larger IRC step would help here. Is it possible to set it? Currently my $IRC input is the following:

$IRC npoint=50 saddle=.t. tsengy=.t. forwrd=.t. MXOPT=50 $end


Best regards,
Evgeniy