CCL:G: PESscan

[Ödön Farkas <farkas%x%chem.elte.hu>]

 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