I have a question regarding the type of Hessian in the TAPE21 file
during a geometry optimization.

I need the cartesian Hessian, not inverted, and regardless of the type
of Hessian update that is used. Is there a way to force the uninverted
cartesian Hessian to be printed?

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Sindre Lillehaug | E-mail: Sindre.Lillehaug_at_student.uib.no
Department of Chemistry | Phone: -Office +47 55588228
University of Bergen | -Home " 55310248
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N-5007 Bergen, Norway |
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Received on 2001-10-29 15:06:57