Subject: Re:1neg-eignvlMinima

From: muguet francis <[email-masked]>
Date: Tue, 14 Jun 1994 11:57:58 +0200

Dear Netters,

  There have been 2 inquiries about local "minimum" geometries with
  1 neg. eigenvalue Hessian, even if the geom. was lowered to C1.

  My suggestion and my experience is that it is not enough to lower
 the point group, if you start with a higher symmetry geometry.
 The gradient will stay, de facto, symmetric, while starting from a
 symmetric saddle point geometry.
 What you need is to DISTORT ** enough ** your starting geometry so that it
 did not feature any hidden geometry.

 Hope this help

  Francis

 Francis F. Muguet Ph.D
 LOA Ecole Polytechnique - ENSTA
 FRANCE