From chemistry-request#* at *#ccl.net Mon Nov 17 09:38:13 2003 Received: from f1n1.spenet.wfu.edu (f1n1.sp2net.wfu.edu [152.17.8.11]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id hAHEbgRW003245 for ; Mon, 17 Nov 2003 09:37:42 -0500 Received: from wfu.edu (salsbufr-PC.computer.wfu.edu [152.17.84.170]) by f1n1.spenet.wfu.edu (8.11.6p2/8.11.6) with ESMTP id hAHEbfT17646; Mon, 17 Nov 2003 09:37:41 -0500 Message-ID: <3FB8DD35.6010204(at)wfu.edu> Disposition-Notification-To: freddie salsbury Date: Mon, 17 Nov 2003 09:37:41 -0500 From: freddie salsbury Organization: Wake Forest University User-Agent: Mozilla/5.0 (Windows; U; Windows NT 5.1; en-US; rv:1.4) Gecko/20030624 Netscape/7.1 (ax) X-Accept-Language: en-us, en MIME-Version: 1.0 To: freddie salsbury CC: chemistry(at)ccl.net Subject: Parital density of states? References: <17210524676.20031115184415(at)joyie.com> <3FB8DC40.2050003(at)wfu.edu> In-Reply-To: <3FB8DC40.2050003(at)wfu.edu> Content-Type: text/plain; charset=us-ascii; format=flowed Content-Transfer-Encoding: 7bit X-Spam-Status: No, hits=-1.1 required=7.0 tests=IN_REP_TO,REFERENCES,USER_AGENT_MOZILLA_UA,X_ACCEPT_LANG version=2.55 X-Spam-Checker-Version: SpamAssassin 2.55 (1.174.2.19-2003-05-19-exp) I sent this message with an incorrect subject, so I'm resending it. sorry Fred Hello -- We are using Gaussian 03 with periodic boundary conditions to model an organic material. We would like to do a partial density of states analysis, does anyone know how to obtain the necessary info from gaussian? thanks Fred Salsbury