From chemistry-request@server.ccl.net Thu Oct 3 13:45:54 2002 Received: from cardinal5.Stanford.EDU ([171.64.15.253]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g93Hjrc15516 for ; Thu, 3 Oct 2002 13:45:53 -0400 Received: (from liviu@localhost) by cardinal5.Stanford.EDU (8.11.6/8.11.6) id g93HjVV06835; Thu, 3 Oct 2002 10:45:31 -0700 Date: Thu, 3 Oct 2002 10:45:31 -0700 (PDT) From: Liviu Mihail Mirica To: chemistry@ccl.net Subject: Gaussian/DFT question Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi, I have a question regarding a message i get sometimes when i try a geometry optimization calculation in Gaussian. The message is: "Restarting incremental Fock formation." It can appear several times, in the first optimization cycle. Sometimes it finishes the cycle and continues the optimization, sometimes i get this message a couple dozen times, and it never finishes the cycle. Does anyone know what could be the problem? Is the molecule to big? Should i mention scf=NoIncFock in the input, even though this is default? thanks for you help. sincerely, Liviu Mirica ************************** Liviu Mihail Mirica tel: 650-497-3188 Escondido Village, 35 B email: liviu@leland.stanford.edu Stanford, CA 94305, USA