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Re: CASPT2 Calculation
sanya
sanya@photonics.ru
CASPT2 is not implemented; instead, there is XMCQDPT2 method in FireFly. Occupation numbers on active MOs are printed in the output.On Mon Aug 1 '11 9:59am, Suranjan Shil wrote
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>Is it possible to calculate occupation number using CASPT2 method in Gamess.
>Thanks
>Suranjan
Mon Aug 1 '11 12:25pm
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