From chemistry-request -A_T- ccl.net Wed Mar 2 00:57:52 2005 Received: from deliverator6.gatech.edu (deliverator6.gatech.edu [130.207.165.168]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id j225vp4x003596 for ; Wed, 2 Mar 2005 00:57:51 -0500 Received: from hormel1.gatech.edu (hormel1.prism.gatech.edu [130.207.171.11]) (using TLSv1 with cipher EDH-RSA-DES-CBC3-SHA (168/168 bits)) (Client CN "hormel1.prism.gatech.edu", Issuer "Tech Support CA" (verified OK)) by deliverator6.gatech.edu (Postfix) with ESMTP id B84E01F4F for ; Tue, 1 Mar 2005 23:57:11 -0500 (EST) (envelope-from ok16-.at.-mail.gatech.edu) Received: from ([130.207.171.121]) by hormel1.gatech.edu with ESMTP with TLS id KP-BRAPX.4625488; Tue, 01 Mar 2005 23:56:42 -0500 Received: from deliverator1.gatech.edu (localhost [127.0.0.1]) by localhost (Postfix) with ESMTP id 763881FAB87 for ; Tue, 1 Mar 2005 23:56:42 -0500 (EST) (envelope-from ok16-.at.-mail.gatech.edu) Received: from acmex.gatech.edu (acmex.prism.gatech.edu [130.207.171.14]) by deliverator1.gatech.edu (Postfix) with ESMTP id 5ACF41FAB84 for ; Tue, 1 Mar 2005 23:56:42 -0500 (EST) (envelope-from ok16-.at.-mail.gatech.edu) Received: by acmex.gatech.edu (Postfix, from userid 11564) id F28061DFCD; Tue, 1 Mar 2005 23:56:37 -0500 (EST) Received: from localhost (localhost [127.0.0.1]) by acmex.gatech.edu (Postfix) with ESMTP id D1DB81F19E for ; Tue, 1 Mar 2005 23:56:37 -0500 (EST) (envelope-from ok16-.at.-mail.gatech.edu) Date: Tue, 1 Mar 2005 23:56:37 -0500 (EST) From: Ohyun Kwon X-X-Sender: Reply-To: Tommy Ohyun Kwon To: Subject: plotting tddft spectra Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Spam-Status: No, hits=5.5 required=7.5 tests=FROM_ENDS_IN_NUMS, IMPRONONCABLE_1,NO_RDNS2 autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Dear CCLers; I would greatly appreciate it if anyone could let me have some scripts or programs to plot UV-Vis spectra from G98-tddft results. Thank you so much for your kind attention in advance. Best wishes, Tommy Ohyun Kwon, Ph.D School of Chemistry and Biochemistry Georgia Institute of Technology Atlanta Georgia, 30332 Email: ohyun.kwon-.at.-chemistry.gatech.edu