Subject: CCL-G-Gaussian94

From: "csg admin" <[email-masked]>
Date: 3 Apr 1997 16:07:09 -0800

Mail*Link® SMTP               CCL:G:Gaussian94

I had the same problem and found that it can be solved by using
a)opt=z-matrix and b)puting "S steps step-size" after the the initial
value of the variables being scanned. 

****************************************
Xiaofeng Duan, Ph.D
WL/MLBP, Bldg. 654
2941 P St. Ste. 1
Wright-Patterson AFB, OH 45433
(513)255-9164
[email-masked]
****************************************

On Thu, 3 Apr 1997, David De Corte wrote:

> Hello, 
> 
> I've got a small g94 problem. When doing a Scan=Opt calculation, the
> calculation stops after the first optimisation and does not perform a
> scan....No error messages are listed... Does anybody know how to prevent
> this problem?
> Kind regards,
> 				David
> -- 
> David De Corte				
> Institute of Inorganic Chemistry	Tel: 0041-26-300.87.52(49)
> University Fribourg			Fax: 0041-26-300.97.38
> CH-1700 Switzerland			mailto:[email-masked]
> http://www.unifr.ch/
> 
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------------------ RFC822 Header Follows ------------------
Date: Thu, 3 Apr 1997 15:02:37 -0500 (EST)
From: Xiaofeng Duan <[email-masked]>
To: David De Corte <[email-masked]>
Cc: [email-masked]
Subject: CCL:G:Gaussian94
Sender: Computational Chemistry List <[email-masked]>