Alex Granovsky
gran@classic.chem.msu.su
It is impossible at moment to compute the weight directly but there
are several useful hints described in the manual that help to judge
on the wf quality.
Kind regards,
Alex Granovsky
On Mon Nov 30 '15 6:00pm, GrEv wrote
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>Dear All,
>I wonder if it is possible to calculate (and output) the weight of the reference CAS space in the XMCQDPT2 wavefunction? Thanks!
>Best regards,
>Evgeniy
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