PC GAMESS-related discussion club

Re: mp2 full core calculation

Alex Granovsky
gran@classic.chem.msu.su


Hi,

just set:

$mp2 ncore=0 $end

This is described in input.doc PC GAMESS manual

Best regards,
Alex




On Fri Jan 12 '07, Dong Xu wrote
--------------------------------
>Hi,

>I think the default mp2 calculation in gamess/pc gamess is frozen core. How do I turn on full core electron correlation in mp2?

>Thanks,

>-DX

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