Re: CCL:Eigenvalues of hessian
- From: "Amity Andersen"
<andersen.-at-.chem.ucla.edu>
- Subject: Re: CCL:Eigenvalues of hessian
- Date: Wed, 28 May 2003 17:42:39 -0000
Is your system linear?
"Daniel R. Rohr" <rohrd.-at-.students.uni-marburg.de> said:
> 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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--
Amity Andersen
UCLA
Dept. of Chemistry & Biochemistry
Room: 3051 Young Hall
(310) 206-5931
andersen.-at-.chem.ucla.edu