From plin-: at :-chemvx.tamu.edu Fri Jul 25 19:13:27 1997 Received: from chemvx.chem.tamu.edu for plin %-% at %-% chemvx.tamu.edu by www.ccl.net (8.8.3/950822.1) id TAA06042; Fri, 25 Jul 1997 19:09:04 -0400 (EDT) Received: from warbird.chem.tamu.edu ([165.91.176.59]) by chemvx.chem.tamu.edu (Netscape Mail Server v2.02) with SMTP id AAA203 for ; Fri, 25 Jul 1997 18:08:57 -0500 Sender: plin(-(at)-)chemvx.tamu.edu (Lin Ping) Message-ID: <33D93210.167E[ AT ]chemvx.tamu.edu> Date: Fri, 25 Jul 1997 18:09:04 -0500 From: Lin Ping Organization: Department of Chemistry X-Mailer: Mozilla 3.01Gold (X11; I; IRIX64 6.1 IP26) MIME-Version: 1.0 To: CHEMISTRY -x- at -x- www.ccl.net Subject: CCL:basis set of DFT calculation Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear CCLers, I am trying to run DFT calculation resently. Since the ordinary basis sets are optimized for ab initio calculation, I am wondering if there are basis sets spectially designed for DFT calculation, which will surely improve the result. Any hints or references would be greatly appreciated. Replies can send to me directly, I will summarize to the list. Thank you very much in advance. Ping LIN -- Department of Chemistry Phone No. : 409-862-9225 Texas A&M University E-mail : plin -x- at -x- chemvx.tamu.edu College Station TX 77843-3255 plin -8 at 8- warbird.chem.tamu.edu URL: http://http.tamu.edu/~p0l1112/