CCL: Doubt on Optmization Output

From: Ödön Farkas <farkas..:..chem.elte.hu>
Subject: CCL: Doubt on Optmization Output
Date: Sun, 29 May 2011 13:20:59 +0200

 Sent to CCL by: =?ISO-8859-1?Q?=D6d=F6n?= Farkas [farkas : chem.elte.hu]
 Hi Guilherme,
 If you are not sure just continue the optimization with Opt=Tight or
 even Opt=verytight. I usually use Opt=(Tight, GDIIS) which helps on flat
 potentials.
 Good luck,
 ÃdÃn
 --
 ÃdÃn Farkas
 Associate professor
 Deparment of Organic Chemistry and
 Laboratory of Chemical Informatics,
 Institute of Chemistry,
 EÃtvÃs LorÃnd University, Budapest
 Address: 1/A PÃzmÃny PÃter sÃtÃny,
 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