From chemistry-request@ccl.net Wed May 4 16:25:45 2005 Received: from ms2.usu.edu (ms2.usu.edu [129.123.104.12]) by server.ccl.net (8.13.1/8.13.1) with ESMTP id j44KPbhY010375 for ; Wed, 4 May 2005 16:25:38 -0400 Received: from IMPmail.usu.edu (IMPmail.ss.usu.edu [129.123.104.36]) by ms2.usu.edu (8.12.10/8.12.10) with ESMTP id j44JI5CV003072; Wed, 4 May 2005 13:18:06 -0600 Received: from proxy01.ss.usu.edu (proxy01.ss.usu.edu [129.123.104.5]) by IMPmail.usu.edu (IMP) with HTTP for ; Wed, 04 May 2005 13:18:05 -0600 Message-ID: <1115234285.42791fedcbfe9 :: IMPmail.usu.edu> Date: Wed, 04 May 2005 13:18:05 -0600 From: Anastassia Alexandrova To: CHEMISTRY :: ccl.net, nicolas.ferre :: up.univ-mrs.fr Subject: CCL:Viewing diffuse orbitals References: <4278DD06.2090302 :: up.univ-mrs.fr> In-Reply-To: <4278DD06.2090302 :: up.univ-mrs.fr> MIME-Version: 1.0 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: 8bit User-Agent: Internet Messaging Program (IMP) 3.2.8 X-Originating-IP: 129.123.104.5 X-Spam-Status: No, score=0.0 required=5.0 tests=none autolearn=failed version=3.0.3 X-Spam-Checker-Version: SpamAssassin 3.0.3 (2005-04-27) on server.ccl.net In MOLDEN you can play with space and egde values. Those can be adjusted by using 'space' button, and by using 'Plot Plane'=> type edge=LargeValue (like 40 may be) for diffuse orbitals. -- Anastassia N. Alexandrova, PhD Chemistry & Biochemistry, USU 0300 Old Main Hill Logan Utah 84322-0300 Tel: +1-435-797-7507 Fax: +1-435-797-3390 Web: http://boldyrev.usu.edu/alexandrova.php Quoting Nicolas Ferri : > Dear ccl, > > I am looking for an orbital viewer, with special interest on very > diffuse functions, actually Rydberg-type orbitals obtained from a molcas > job. I just tried molden, without luck. Maybe I am missing a trick with > molden, but I don't believe that there exists a zoom in molden's orbital > mode. > > > -- > *********** Dr. Nicolas Ferre' *********** > Laboratoire de Chimie Theorique et de Modelisation Moleculaire > UMR 6517 - CNRS Universites Aix-Marseille Case 521 > Centre de Saint-Jerome 13397 - Marseille Cedex 20, France > Tel : (+33)4.91.28.27.33 Fax : (+33)4.91.28.87.58 > http://www.up.univ-mrs.fr/wsrep/ctheo/lctmm.html > *************************************************************** > > > -= This is automatically added to each message by the mailing script =- > To send e-mail to subscribers of CCL put the string CCL: on your Subject: > line > and send your message to: CHEMISTRY :: ccl.net > > Send your subscription/unsubscription requests to: CHEMISTRY-REQUEST :: ccl.net > HOME Page: http://www.ccl.net | Jobs Page: http://www.ccl.net/jobs > > If your is mail bouncing from ccl.net domain due to spam filters, please > use the Web based form from CCL Home Page > -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ > > > > > >