From chemistry-request@server.ccl.net Mon Dec 16 17:50:30 2002 Received: from f04n01.cac.psu.edu ([128.118.141.31]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id gBGMoUi14889 for ; Mon, 16 Dec 2002 17:50:30 -0500 Received: from psu.edu (cornea.chem.psu.edu [128.118.172.87]) by f04n01.cac.psu.edu (8.9.3/8.9.3) with ESMTP id RAA151546 for ; Mon, 16 Dec 2002 17:50:29 -0500 Message-ID: <3DFE58B6.FA775A7C@psu.edu> Date: Mon, 16 Dec 2002 17:50:31 -0500 From: Ed Brothers Reply-To: enb108@psu.edu Organization: PSU Merz Group X-Mailer: Mozilla 4.61 (Macintosh; I; PPC) X-Accept-Language: en,pdf MIME-Version: 1.0 To: chemistry@ccl.net Subject: Density Matrix Derivatives. Content-Type: text/plain; charset=us-ascii; x-mac-type="54455854"; x-mac-creator="4D4F5353" Content-Transfer-Encoding: 7bit Sorry about yet another question. Is there anyway to make Gaussian 98 print out the first derivative of the density matrix and/or the first derivative of the energy weighted density matrix? Thanks for your time. Ed. PS I'd like to thank Serguei Patchkovskii for the extremely useful link to his thesis. http://www.cobalt.chem.ucalgary.ca/ps/thesis/