From chemistry-request # - at - # ccl.net Fri Jul 18 11:58:45 2003 Received: from compton.acpub.duke.edu (compton.acpub.duke.edu [152.3.233.74]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id h6IFwijq018656 for ; Fri, 18 Jul 2003 11:58:45 -0400 Received: from CONCORDIA (concordia.lib.duke.edu [152.16.191.233]) by compton.acpub.duke.edu (8.12.9/8.12.9/Duke-5.0.0) with SMTP id h6IFwhEC007874; Fri, 18 Jul 2003 11:58:43 -0400 (EDT) X-Originating-IP: 152.3.169.5 X-Mailer: MyDuke.com X-Originator-Info: jz7 "-at-" acpub From: To: Subject: how to change convergence criteria? Date: Fri, 18 Jul 2003 11:50:28 -0400 Message-ID: <007101c34d44$4f6d3da0$eabf1098:~at~:CONCORDIA> MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit Thread-Index: AcNNRE9tJKcw/KcdSeSFxa+Na3sQSw== Content-Class: urn:content-classes:message X-MimeOLE: Produced By Microsoft MimeOLE V6.00.2800.1165 Dear all, I am using Gaussian98 to do geometry optimization for a system including about 150 atoms. But the optimization seems to take a long long time. So I want to change the cutoff value of the convergence. How can I do that? Will you please give some suggestions? Thanks a lot! Best, Jeny