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[Peter Knowles]

Unfortunately not documented, nor easy to explain why it is like this,
the following is what you need to do.

geometry={he}
rhf
fci;davidson,,,,,,,,0.01

Peter

At Mon, 3 Jun 2002 13:09:46 -0500,
Daniel Brue wrote:
> 
> Hello!
> 
> 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
WWW http://www.tc.bham.ac.uk/~peterk/