From chemistry-request ":at:" ccl.net Wed Apr 14 02:00:10 2004 Received: from pony.its.uwo.ca (pony.its.uwo.ca [129.100.2.63]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i3E709uR025608 for ; Wed, 14 Apr 2004 02:00:09 -0500 Received: from spork.its.uwo.ca (ride.its.uwo.ca [10.10.10.10]) by pony.its.uwo.ca (8.12.10/8.12.10) with ESMTP id i3E70YAg019960 for ; Wed, 14 Apr 2004 03:00:34 -0400 (EDT) Received: from localhost (blimp.its.uwo.ca [129.100.3.140]) by spork.its.uwo.ca (8.12.10/8.12.10) with ESMTP id i3E70Xkk012824 for ; Wed, 14 Apr 2004 03:00:33 -0400 Received: from HSE-Toronto-ppp310013.sympatico.ca (HSE-Toronto-ppp310013.sympatico.ca [64.231.90.183]) by mail.uwo.ca (IMP) with HTTP for ; Wed, 14 Apr 2004 03:00:32 -0400 Message-ID: <1081926032.407ce1904eca6=at=mail.uwo.ca> Date: Wed, 14 Apr 2004 03:00:32 -0400 From: njmosey=at=uwo.ca To: chemistry=at=ccl.net Subject: Tight-binding molecular dynamics MIME-Version: 1.0 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: 8bit User-Agent: Internet Messaging Program (IMP) 3.2.3 X-Originating-IP: 64.231.90.183 X-Spam-Score: 0.339 () NO_REAL_NAME X-Scanned-By: MIMEDefang 2.39 X-Spam-Status: No, hits=5.4 required=7.5 tests=NO_REAL_NAME,RCVD_IN_DYNABLOCK, RCVD_IN_NJABL,RCVD_IN_NJABL_DIALUP,RCVD_IN_SORBS,SARE_ADLTSUB2 autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Hi, We are interested in doing some tight-binding DFT molecular dynamics simulations but we are having difficulty locating programs to do this. If anyone is aware of such programs would you please let me know. Thanks, Nick Mosey PhD Candidate Department of Chemistry The University of Western Ontario London, Ontario, Canada N6A 5B7 voice: (519) 661-2111 ext. 86353 fax: (519) 661-3022 email: njmosey=at=uwo.ca