Re: CCL:Saddle point optimization



 > 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
 You should be able to optimize to a second order saddle point by specifying
 Opt(Saddle=2)
 in the route section
 Hope this helps,
 Craig
 --
 *******************************************************************************
 * Craig Wilson                              e-mail: msrge : at :
 csv.warwick.ac.uk   *
 * Dept. of Chemistry                                                          *
 * University of Warwick                                                       *
 * COVENTRY                           Phone:    01203-523523 ext. 2541   (UK)  *
 * CV4 7AL                                                                     *
 * England, UK.                    "This isn't a soap opera - it's real
 life!" *
 *******************************************************************************