From chemistry-request@ccl.net Sat Oct 16 09:29:33 2004 Received: from smtp2.Stanford.EDU (smtp2.Stanford.EDU [171.67.16.125]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i9GETVbp020560 for ; Sat, 16 Oct 2004 09:29:32 -0500 Received: from cardinal5.Stanford.EDU (cardinal5.Stanford.EDU [171.64.15.253]) by smtp2.Stanford.EDU (8.12.11/8.12.11) with ESMTP id i9GEfSVA019172; Sat, 16 Oct 2004 07:41:28 -0700 Date: Sat, 16 Oct 2004 07:41:28 -0700 (PDT) From: "S.I.Gorelsky" To: "A. Boufarik" cc: "Comp. Chem. List" Subject: Re: CCL:Outputing coefficients in density matrix In-Reply-To: <20041015200452.14073.qmail|at|web53904.mail.yahoo.com> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Spam-Status: No, hits=0.0 required=7.5 tests=none autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Use the POP=FULL keyword. > Hi all, > > Is there a way make G-03 output the coefficients of the AOs and potentially the density matrix. > > Thanks for your time and help, > > A. Boufarik ---------------------------------------------------------------- Dr S.I. Gorelsky, Department of Chemistry, Stanford University Box 155, 333 Campus Drive, Stanford, CA 94305-5080 USA Phone: (650) 723-0041. Fax: (650) 723-0553. ----------------------------------------------------------------