Eigenvalues of hessian
- From: "Daniel R. Rohr"
<rohrd/at/students.uni-marburg.de>
- Subject: Eigenvalues of hessian
- Date: 28 May 2003 16:20:47 +0200
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
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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
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