From owner-chemistry-!at!-ccl.net  Fri Jul 21 05:11:28 1995
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From: Jussi Eloranta <eloranta # - at - # voimax.voima.jkl.fi>
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Subject: Saddle point optimization
To: chemistry.,at,.ccl.net
Date: Fri, 21 Jul 1995 11:59:42 +0300 (EET DST)
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Hi,


Is there a way to optimize to the geometry which is a minimum with respect
to all variables except two for which it should be a maximum
(ie. saddle point of order of 2). These two variables are some known Z-matrix
variables.

I've looked at saddle, ts, and ef params for opt but they don't seem to
help with this.

BTW would this be as simple as choosing "-Grad" direction for all variables
but these two for which it would be "+Grad" ?

Regards,

Jussi Eloranta


PS. I'm using Gaussian 92/DFT