PC GAMESS-related discussion club

Alex Granovsky
gran@classic.chem.msu.su

it's NACORE in GAMESS (US) and NCORE in PC GAMESS.
Working with PC GAMESS, you should always look into the
documentation files from the PC GAMESS distribution first,
and from the GAMESS (US) second.

Regards,
Alex


On Thu Jan 18 '07, Dong Xu wrote
--------------------------------
>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
>>

>>>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