[molpro-user] symmetry in molpro

Grant Hill grant.hill at sheffield.ac.uk
Thu Oct 30 14:07:11 GMT 2014

Dear Pierre,

For your second input

> If now I give the alternative data:
> {rhf;
> wf,85,1,1;
> closed,22,14,4,2;
> open  , 1,0,0,0 }

I think you have an error on the open card. It should probably be something like:


See: http://www.molpro.net/info/2012.1/doc/manual/node153.html

Best wishes,


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