P.J.Knowles at bham.ac.uk
Sat Jun 8 05:10:02 BST 2002
Unfortunately not documented, nor easy to explain why it is like this,
the following is what you need to do.
At Mon, 3 Jun 2002 13:09:46 -0500,
Daniel Brue wrote:
> I am trying to get molpro to print the CI vectors when it does an FCI
> calculation. The threshold in the output file for CI vector coefficients is
> set to 0.05, and if possible I would like to lower this to see more of the
> relevant CI vectors. Does anyone know how to do this? Any info would be
> appreciated. Thanks!
> Daniel Brue
Prof. Peter J. Knowles
Email P.J.Knowles at bham.ac.uk Phone +44-121-414-7472 Fax +44-121-414-7471
School of Chemical Sciences, University of Birmingham, Birmingham, B15 2TT, UK
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