From owner-nwchem-users@emsl.pnl.gov Thu Dec 14 14:58:22 2006 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.13.8/8.13.8) with ESMTP id kBEMwKWS024819 for ; Thu, 14 Dec 2006 14:58:21 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.13.8/8.13.8/Submit) id kBEMwKNw024818 for nwchem-users-outgoing-0915; Thu, 14 Dec 2006 14:58:20 -0800 (PST) X-Authentication-Warning: odyssey.emsl.pnl.gov: majordom set sender to owner-nwchem-users@emsl.pnl.gov using -f X-Ironport-SG: OK_Domains X-Ironport-SBRS: 2.2 X-IronPort-Anti-Spam-Filtered: true X-IronPort-Anti-Spam-Result: AgAAAD5mgUWGVHcGemdsb2JhbACNXAEBCA8q X-IronPort-AV: i="4.12,171,1165219200"; d="scan'208"; a="14447327:sNHT40639942" X-Umn-Remote-Mta: [N] wm0.tc.umn.edu [134.84.119.41] #+LO+NM+TR From: sorki004@umn.edu To: nwchem-users@emsl.pnl.gov Subject: [NWCHEM] how to print forces? Date: 14 Dec 2006 16:58:09 -0600 X-Mailer: Prayer v1.0.16 X-Originating-IP: [160.94.17.169] Message-ID: Mime-Version: 1.0 Content-Type: text/plain; format=flowed; charset=ISO-8859-1 Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Hello, I wonder if you know how to print forces/gradients in a separate file using nwpw/band in nwchem? Thanks in advance -SVA