From owner-nwchem-users Fri Oct 19 14:38:29 2001 Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.8.8+Sun/8.8.5) id OAA12316 for nwchem-users-outgoing; Fri, 19 Oct 2001 14:29:25 -0700 (PDT) Date: Fri, 19 Oct 2001 14:29:18 -0700 From: "Harrison, Robert J" Subject: RE: How do I get a verbose SCF output? To: "'Robert Gdanitz '" Cc: "'nwchem-users@emsl.pnl.gov'" Message-id: <68105D4966353C4AB9FA8C71C22496A90113C33C@pnlmse16.pnl.gov> MIME-version: 1.0 X-Mailer: Internet Mail Service (5.5.2650.21) Content-type: text/plain; charset="ISO-8859-1" Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Robert you're asking for verbose output but the rest of the question suggests that you don't want things printed. The no print option does work ... please send your input to the nwchem-support queue since I suspect that there is just a simple typographical error in there. Robert -----Original Message----- From: Robert Gdanitz To: nwchem-users@emsl.pnl.gov Sent: 10/18/2001 1:18 PM Subject: How do I get a verbose SCF output? Hi, I want to do some MP2 computations of large molecules and I wonder, how I can get a verbose SCF output. I am only interested in the energies in the various iterations. With "print low scf" I only get the final energy. I especially want to get rid of the MO listing and the Mulliken analysis. According to the manual (as I understand it), "noprint 'final vector analysis' 'final evals'" enclosed in "scf ... end" should work, but it does not. Of course, "print none scf" gives no output at all. So how do I prevent the SCF module from being too talkative? Regards, Robert