[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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