[molpro-user] FCI convergence threshold

[Peter Knowles]

This can be done as follows:

geometry={He};rhf;{fci;thr,1e-11}

We have made a note that the documentation needs to be completed, and this will be attended to in due course.

Best regards,
Peter Knowles 

> On 19 Mar 2016, at 15:20, Jacek Koput <koput at amu.edu.pl> wrote:
> 
> Dear developers,
> 
> a simple question: how to change the FCI convergence threshold (default 0.00001)? Any option to the command fci?
> 
> Kind regards,
> Jacek Koput
> 
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--
Prof. Peter J. Knowles             
School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, UK
Telephone: +44 29 208 79182
Email: KnowlesPJ at Cardiff.ac.uk 

Yr Athro Peter J. Knowles
Yr Ysgol Cemeg, Prifysgol Caerdydd,
Prif Adeilad, Plas y Parc
Caerdydd CF10 3AT, DU
Ffôn: +44 2920 879182
Ebost: KnowlesPJ at Caerdydd.ac.uk
Ysgrifennwch ataf yn Gymraeg neu Saesneg