[molpro-user] bsse Mg2
Andy May
MayAJ1 at cardiff.ac.uk
Thu Jan 24 08:04:43 GMT 2013
The first problem with your input is incorrect syntax and spelling of
geometry, it should be:
geometry={
Best wishes,
Andy
On 24/01/13 06:34, kamel alioua wrote:
> hi
> i intend to run Mg2 bsse with this script unfortunately it doesnt run.
>
> basis= avqz
> geomety{
> Mg1
> Mg2, Mg1, 3.0 }
>
> dummy,Mg2
>
> hf;
>
> and so on ....
>
> anyone help me?
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