From chemistry-request@server.ccl.net Sat May 4 15:31:27 2002 Received: from hotmail.com ([64.4.37.171]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g44JVQI14296 for ; Sat, 4 May 2002 15:31:26 -0400 Received: from mail pickup service by hotmail.com with Microsoft SMTPSVC; Sat, 4 May 2002 12:31:22 -0700 Received: from 171.64.127.133 by pv2fd.pav2.hotmail.msn.com with HTTP; Sat, 04 May 2002 19:31:21 GMT X-Originating-IP: [171.64.127.133] From: "Bin Shan" To: chemistry@ccl.net Subject: Where can I get a guide to the use of IOP of Gaussian98? Date: Sat, 04 May 2002 19:31:21 +0000 Mime-Version: 1.0 Content-Type: text/plain; format=flowed Message-ID: X-OriginalArrivalTime: 04 May 2002 19:31:22.0124 (UTC) FILETIME=[459CCCC0:01C1F3A2] As I just learned, adding IOP(5/13=1) which allows the SCF to print out the MO's even in the event that convergence was not reached. there are also some other IOP functionality I know,like Fock Matrix : iop(5/33=3) Overlap Matrix : iop(3/33=1) But how are these lines interpreted and where how do I know what kind of combination generates what kind of functionality.Is there any guide or tutorial on this?I would be very interested. _________________________________________________________________ Chat with friends online, try MSN Messenger: http://messenger.msn.com