Subject: about conjuate gradient approach

From: wangyanemail <[email-masked]>
Date: Thu, 7 Feb 2002 10:37:15 +0800

CCLers:
  I know there is a method for fast transition state location in Dmol3.This method combines the classic linear and quadratic synchronous transit metnods with a conjuate gradient approach to refine the saddle point geometry.
  My question is how to refine the sassle point geometry with a conjuate gradient approach in Dmol3 .what is conjuate gradient approach. I cant find the option(conjuate gradient approach) in Dmol3.
 Any help is welcome.

best regards

                  wangyanemail
            [email-masked]