PC GAMESS-related discussion club

Re^2: mp2 full core calculation

Dong Xu
dongxu@sciences.sdsu.edu

Thanks, it's actually NACORE in $MP2 group. NCORE is in $CCINP group for Coupled-cluster calculations.

On Fri Jan 12 '07, Alex Granovsky wrote
---------------------------------------
>


>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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