From chemistry-request@ccl.net Mon Nov 24 13:45:37 2003 Received: from gip2.u-picardie.fr (gip2.u-picardie.fr [193.49.184.4]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id hAOIivNL032359 for ; Mon, 24 Nov 2003 13:45:05 -0500 Received: by gip2.u-picardie.fr (Postfix, from userid 33) id 1216B9AC8; Mon, 24 Nov 2003 19:44:56 +0100 (CET) To: chemistry*at*ccl.net Subject: B3LYP in g98 Message-ID: <1069699496.3fc251a8063a7*at*webmail.u-picardie.fr> Date: Mon, 24 Nov 2003 19:44:56 +0100 (CET) From: FyD MIME-Version: 1.0 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: 8bit User-Agent: IMP/PHP IMAP webmail program 2.2.6 X-Spam-Status: No, hits=0.0 required=7.0 tests=USER_AGENT version=2.55 X-Spam-Checker-Version: SpamAssassin 2.55 (1.174.2.19-2003-05-19-exp) Hi, I'd like to use b3lyp DFT in g98 with the correlation functional V instead of the functional III. What would be the corresponding keyword to use ? Thanks, Francois