[molpro-user] octopole moment

[Peter Knowles]

Works for me with Molpro 2008.1:
gexpec,mltp3;geometry={f;h,f,1.7};rhf;multi
Are you sure your diatomic is heteronuclear?
Peter
On 16 Jan 2009, at 01:01, Ramon Hernandez wrote:

>
>
>  Dear users,
>
>  we want to calculate the octopole moment of a diatomic but when  
> using the
>  command gexpec,mltp3 the different modules(HF, MULTI) ignore it and  
> just
>  do the usual default calculation. Curiously if we use mltp2 or  
> mltp4 then it works !
>
>   Is this a known bug ? Any idea on how to solve this problem ?
>
>  We are using molpro 2006 ....
>
>  Cheers
>
>  Ramon
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--
Prof. Peter J. Knowles
School of Chemistry, Cardiff University, Main Building, Park Place,  
Cardiff CF10 3AT, UK
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