From owner-nwchem-users@emsl.pnl.gov Wed Dec 7 11:05:52 2005 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.12.10/8.12.10) with ESMTP id jB7J5qR8008860 for ; Wed, 7 Dec 2005 11:05:52 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.12.10/8.12.10/Submit) id jB7J5qbo008859 for nwchem-users-outgoing-0915; Wed, 7 Dec 2005 11:05:52 -0800 (PST) Date: Wed, 07 Dec 2005 14:05:41 -0500 From: Ed Subject: [NWCHEM] BPW91 functional In-reply-to: Cc: nwchem-users@emsl.pnl.gov Message-id: <43973285.7000503@dartmouth.edu> MIME-version: 1.0 Content-type: text/plain; charset=ISO-8859-1; format=flowed Content-transfer-encoding: 7bit X-Accept-Language: en-us, en User-Agent: Mozilla Thunderbird 1.0.2 (Windows/20050317) X-Disclaimer: This message was received from outside Dartmouth's BlitzMail system. X-MailScanner: Found to be clean by mailhub2.Dartmouth.EDU X-MailScanner-From: edward.j.sanville@dartmouth.edu References: Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Hi NWChem users, I need to see if I can reproduce some data with nwchem that uses the BPW91 functional. Does anybody know how to get this functional with NWChem? Thanks, Ed