[molpro-user] octopole moment
Ramon Hernandez
ramon at uaem.mx
Fri Jan 16 01:01:51 GMT 2009
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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