From chemistry-request&$at$&ccl.net Wed May 28 10:29:46 2003 Received: from Stud-Mailer.Uni-Marburg.DE (Stud-Mailer.Uni-Marburg.DE [137.248.9.7]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id h4SETjgC005948 for ; Wed, 28 May 2003 10:29:46 -0400 Received: from charly.chemie.uni-marburg.de (pc15160.Chemie.Uni-Marburg.DE [137.248.152.201]) by Stud-Mailer.Uni-Marburg.DE (8.12.8p1/8.12.8) with ESMTP id h4SEOpJr056924 for ; Wed, 28 May 2003 16:24:52 +0200 Subject: Eigenvalues of hessian From: "Daniel R. Rohr" To: ccl Content-Type: text/plain; charset=ISO-8859-1 X-Mailer: Evolution/1.0 (Preview Release) Date: 28 May 2003 16:20:47 +0200 Message-Id: <1054131647.16827.13.camel $#at#$ charly> Mime-Version: 1.0 X-MailScanner-Information: see http://www.uni-marburg.de/hrz/services/spamcheck/ X-MailScanner: Found to be clean Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by server.ccl.net id h4SETkgC005949 Hi CCLers Does anybody of you know, why there are more than 3N-6 nonzero eigenvalues of the hessian? I am especially interested in the question, whether this error is due to the errors made by differentiation or whether they are due to an error within the method itself. I usually get only 3 zero eigenvalues. No matter if the hessian is calculated on a stationary point or not. Thanks for your help Daniel Rohr -- ----------------------------------------------------------------------- Daniel Rohr Fachbereich Chemie der Philipps-Universitdt Tel.: +49-6421-28-25686 Hans-Meerwein-Stra_e Fax.: +49-6421-28-25566 D-35043 Marburg eMail: rohrd/at/stud-mailer.uni-marburg.de Germany -----------------------------------------------------------------------