From ksue@comtec.daikin.co.jp Fri Jun 28 00:56:56 1996 Received: from tokyogw1.comtec.daikin.co.jp for ksue@comtec.daikin.co.jp by www.ccl.net (8.7.5/950822.1) id AAA05160; Fri, 28 Jun 1996 00:03:02 -0400 (EDT) Received: (from smap@localhost) by tokyogw1.comtec.daikin.co.jp (8.7.1+2.6Wbeta4/3.3W9-95101819) id NAA08876 for ; Fri, 28 Jun 1996 13:03:01 +0900 (JST) Received: from tgdpcm10.tgdp.daikin.co.jp(150.35.192.110) by tokyogw1.comtec.daikin.co.jp via smap (V1.3) id sma008874; Fri Jun 28 13:02:35 1996 Received: from tgdppc18.tgdp.daikin.co.jp (tgdppc18.tgdp.daikin.co.jp [150.35.192.188]) by tgdpcm10.tgdp.daikin.co.jp (8.7.1+2.6Wbeta4/3.3W9-96062515) with SMTP id NAA08440 for ; Fri, 28 Jun 1996 13:02:34 +0900 (JST) Received: by tgdppc18.tgdp.daikin.co.jp with Microsoft Mail id <01BB64F2.3183B900@tgdppc18.tgdp.daikin.co.jp>; Fri, 28 Jun 1996 13:03:25 +0900 Message-ID: <01BB64F2.3183B900@tgdppc18.tgdp.daikin.co.jp> From: Suetuna To: "'chemistry@www.ccl.net'" Subject: Changing my mail address Date: Fri, 28 Jun 1996 13:03:23 +0900 MIME-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: 7bit Dear administrator. I requested to change CCL mail address from "ccs-info@comtec.daikin.co.jp" to "ksue@comec.daiki.co.jp" before. At that time, "ksue@comtec.daikin.co.jp" . (Thank you.) "ccs-info@comtec.daikin.co.jp" still remains. I will show you the header of one of CCL mails below. ---------------------------------------------------------------------------- ------------------------------------------------ Received: from tgdpcm10.tgdp.daikin.co.jp (tgdpcm10.tgdp.daikin.co.jp [150.35.192.110]) by tgdpks4.tgdp.daikin.co.jp (8.7.1+2.6Wbeta4/3.3W9-96062515) with ESMTP id BAA17578; Fri, 28 Jun 1996 01:19:19 +0900 (JST) Received: from tokyogw1.comtec.daikin.co.jp (tgdpgw1.tokyo.daikin.co.jp [150.35.246.240]) by tgdpcm10.tgdp.daikin.co.jp (8.7.1+2.6Wbeta4/3.3W9-96062515) with ESMTP id BAA06883; Fri, 28 Jun 1996 01:19:16 +0900 (JST) Received: (from smap@localhost) by tokyogw1.comtec.daikin.co.jp (8.7.1+2.6Wbeta4/3.3W9-95101819) id BAA06885; Fri, 28 Jun 1996 01:19:15 +0900 (JST) Received: from ccut.cc.u-tokyo.ac.jp(192.41.197.4) by tokyogw1.comtec.daikin.co.jp via smap (V1.3) id sma006876; Fri Jun 28 01:19:01 1996 Received: by ccut.cc.u-tokyo.ac.jp (5.67+1.6W/6.4J.6-ut3.196) id AA02466; Fri, 28 Jun 96 01:18:54 JST Date: Thu, 27 Jun 1996 23:44:30 +0900 (KST) From: Lee Tae Bum X-Sender: s196232@ccs To: chemistry@www.ccl.net Message-Id: Precedence: bulk Subject: CCL:molecular dynamics Errors-To: chemistry-request@u-tokyo.ac.jp Sender: chemistry-request@u-tokyo.ac.jp I requested changing CCL mail address to "chemistry-request@u-tokyo.ac.jp" 3 times. But not changed. I'm sorry to trouble you, but would you delete the address "ccs-info@comtec.daikin.co.jp" from CCL mail ? (Is it possible ?) ############################################# DAIKIN Industries, LTD. Electronics Div. CCS support Kiyoshi Suetsuna E-mail:ksue@comtec.daikin.co.jp TEL: 81-3-3344-5854 FAX: 81-3-3344-8113 ############################################# From ccluser@chu.chem.nthu.edu.tw Fri Jun 28 09:57:01 1996 Received: from chu.chem.nthu.edu.tw for ccluser@chu.chem.nthu.edu.tw by www.ccl.net (8.7.5/950822.1) id JAA06986; Fri, 28 Jun 1996 09:50:40 -0400 (EDT) From: Received: by chu.chem.nthu.edu.tw (AIX 3.2/UCB 5.64/4.03) id AA17913; Fri, 28 Jun 1996 21:49:19 +0900 Message-Id: <9606281249.AA17913@chu.chem.nthu.edu.tw> Subject: DFT input To: chemistry@www.ccl.net Date: Fri, 28 Jun 96 21:49:19 TAIDT X-Mailer: ELM [version 2.4dev PL17] -- Dear freinds, I got a question when I tried to run DFT using gaussian 94: I ran three kinds of input as follows, (1) #n b3lyp/sto-3g iop(5/45=10000800) iop(5/46=02000720) iop(5/47=01900810) (2) #n blyp/sto-3g iop(5/45=10000800) iop(5/46=02000720) iop(5/47=01900810) (3) #n b3lyp/sto-3g Why both (1) and (2) give the same energy results but differ from that of (3) ? And which input is the right one? Please e-mail me using the following e-mail adress Thanks a lot in advance. ========================================================================== May May Lin | E-mail: ccluser@chu.chem.nthu.edu.tw Department of chemistry | National Tsing Hua University | Phone: 886-35-721634 Hsinchu, Taiwan 30043 | Fax: 886-35-711082 =====================================================================