From chemistry-request#* at *#ccl.net Wed May 4 11:36:38 2005 Received: from up.univ-mrs.fr (mailup.univ-mrs.fr [147.94.113.16]) by server.ccl.net (8.13.1/8.13.1) with ESMTP id j44FaYi6026718 for ccl.net>; Wed, 4 May 2005 11:36:34 -0400 Received: from localhost (localhost [127.0.0.1]) by up.univ-mrs.fr (Postfix) with ESMTP id F38FC370EB9 for ccl.net>; Wed, 4 May 2005 16:32:31 +0200 (CEST) Received: from up.univ-mrs.fr ([127.0.0.1]) by localhost (mailup.univ-mrs.fr [127.0.0.1]) (amavisd-new, port 10024) with ESMTP id 391635-02 for ccl.net>; Wed, 4 May 2005 16:32:31 +0200 (CEST) Received: from [147.94.185.160] (unknown [147.94.185.160]) by up.univ-mrs.fr (Postfix) with ESMTP id 666AC2BC87F for ccl.net>; Wed, 4 May 2005 16:32:31 +0200 (CEST) Message-ID: <4278DD06.2090302 <> up.univ-mrs.fr> Date: Wed, 04 May 2005 16:32:38 +0200 From: =?ISO-8859-1?Q?Nicolas_Ferr=E9?= up.univ-mrs.fr> Organization: LCTMM User-Agent: Mozilla Thunderbird 1.0.2 (X11/20050317) X-Accept-Language: fr, en MIME-Version: 1.0 To: CCL posting ccl.net> Subject: Viewing diffuse orbitals Content-Type: text/plain; charset=ISO-8859-1; format=flowed Content-Transfer-Encoding: 7bit X-Virus-Scanned: by amavisd-new at up.univ-mrs.fr 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 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 ***************************************************************