From owner-chemistry:~at~:ccl.net Tue Jun 17 09:26:01 2008
From: "=?ISO-8859-1?Q?=D6d=F6n?= Farkas farkas+*+chem.elte.hu" <owner-chemistry]*[server.ccl.net>
To: CCL
Subject: CCL:G: PESscan
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Date: Tue, 17 Jun 2008 14:13:08 +0200
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Sent to CCL by: =?ISO-8859-1?Q?=D6d=F6n?= Farkas [farkas(0)chem.elte.hu]
Hi Alexandra,

There is no limitation in Gaussian for the number of dimensions to scan,
only that you might not have enough CPU time to complete it :-)

Best wishes,

Ödön

On Tue, 2008-06-17 at 05:49 -0400, Alexandra Marques
alexandra.marques-x-fc.up.pt wrote:
> Sent to CCL by: "Alexandra  Marques" [alexandra.marques(_)fc.up.pt]
> Hi,
> 
> I have a question about scans in gaussian. Is it possible to do a bidimensional relaxed potential energy surface scan in Gaussian? Something likes this:
> B 9741 9821 S 3 -0.50
> D 9816 9817 9818 9819 S 3 20
> 
> Are there any cautions that should be taken when doing a bidimensional scan?
> 
> Thanks a lot,
> Alexandra> 
> 
-- 
Ödön Farkas
Associate professor
Deparment of Organic Chemistry and
Laboratory of Chemical Informatics,
Institute of Chemistry,
Eötvös Loránd University, Budapest
Address: 1/A Pázmány Péter sétány,
H-1117 Budapest, Hungary
Phone: +36-1-372-2570
Cell phone: +36-30-255-3111
Fax: +36-1-372-2620
URL: http://organ.elte.hu/farkas