Subject: Re: CCL:ef ts optimization

From: Yohann Moreau <yohann.moreau.-at-.cbt.uhp-nancy.fr>
Date: Mon, 18 Oct 2004 15:15:23 +0200

Hello,

This meesage is strange because it seems that Gaussian doesn't find any  variable
(NUMBER OF VARIABLES (  0)).
If your input is in cartesian coordinates, you should maybe try to give your
structure with a Z-Matrix.
In Gaussian, some other optimisation options (with Fletcher-Powell algorithm, for
example)  are available only
with this kind of format.

Hope this helps,

Yohann

Monica wrote:

> Dear Colleagues,
>
> I'm trying to optimize a transition structure of 6 silicon atoms and 10
> hydrogens with an "ef" option in G98, however I get an error message as
> following:
>
> ************************************************
>   ** ERROR IN INITEF. NUMBER OF VARIABLES (  0) **
>   **   INCORRECT (SHOULD BE BETWEEN 1 AND 50)   **
>   ************************************************
> Does anyone know how to handle this?
>
> Thank you in advance,
>
> Monica Kosa
>
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--

               Yohann MOREAU, Doctorant
       Equipe de Chimie et Biochimie Thioriques
               UMR CNRS-UHP 7565 "SRMSC"
          BP 239, F-54506 Vandoeuvre-lhs-Nancy
http://www.lctn.uhp-nancy.fr/Etudiants/Yohann.Moreau.html