[molpro-user] print Configuration State Functions

[Peter Knowles]

Please try
geometry={b;h,b,2};rhf;{casscf;iprint,civector;natorb,,ci};{mrci;noexc;print,ref=1}
which may give some of what you are looking for in several different ways.
Peter
On 23 Feb 2014, at 22:03, Kaveh Haghighi Mood <haghighi at pc.rwth-aachen.de> wrote:

> Dear all,
> 
> I want to print Configuration State Functions and to be more precise determinants, CI coefficients and also coupling coefficients for a CASSCF calculation. I already tried  this keywords:
>  
> Gprint,civector;                                
> Gprint,ref;
> print,ref
> 
> together with
> 
> config,CSF;
> 
> Any clarification about output appreciated,
> 
> Thanks in advance,
> 
> Kaveh Haghighi Mood
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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 
WWW http://www.cardiff.ac.uk/chemy/contactsandpeople/academicstaff/knowles.html