[molpro-user] octopole moment

Ramon Hernandez ramon at uaem.mx
Fri Jan 16 16:26:30 GMT 2009


 Dear Peter,

 let me check with my colleague who was actually trying this but I think
 you found the problem !

 Cheers

 Ramon

2009/1/13, Ramon Hernandez <ramon at uaem.mx>:
>
>
>  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 !
>
>  Any idea on how to solve this problem ?
>
>  We are using molpro 2006 ....
>
>  Cheers
>
>  Ramon
>
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