From dgallis@syr.edu Tue Feb 24 03:13:56 1998 Received: from mailbox.syr.edu for dgallis@syr.edu by www.ccl.net (8.8.3/950822.1) id CAA19709; Tue, 24 Feb 1998 02:39:51 -0500 (EST) Received: from syr.edu (sudial0201-071.syr.edu [128.230.1.71]) by mailbox.syr.edu (8.8.8/8.8.8) with ESMTP id CAA07545 for ; Tue, 24 Feb 1998 02:39:50 -0500 (EST) Message-ID: <34F27C86.41C006FC@syr.edu> Date: Tue, 24 Feb 1998 02:53:42 -0500 From: Damian Gregory Allis X-Mailer: Mozilla 4.03 [en] (Win95; U) MIME-Version: 1.0 To: chemistry@www.ccl.net Subject: Rh/Mn basis sets, DeFT Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Greetings all! I've a quick one for somebody. I'm running some metal-containing boron clusters through the DFT gauntlet with the DeFT package, and am having difficulty setting up my basis sets for Rhodium and Manganese. If anyone could help with the numbers AND the formatting of the numbers for the program, it would be much appreciated. Also, if anyone is well versed in DeFT (the package, not a misprint) in general, and is willing to field some questions, please let me know. thanks again, Damian Allis ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Campus Address: | Home Address: | Chemistry Address: 923 Westcott St. | 6391 East Seneca Trpk. | 2-023 Center for Sci&Tech Syracuse, NY 13210 | Jamesville, NY 13078 | Syracuse University (315) 423-9602 | email: dgallis@syr.edu | Syracuse, NY 13244 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#8^(= -)*-+-< everything about me: web.syr.edu/~dgallis/ for "me" at NPAC: www.npac.syr.edu/users/dgallis/homepage/ Cornucopia Music: www.cornucopiamusic.com/