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Re: Free-radical optimization in Mp2

Alex Granovsky
gran@classic.chem.msu.su


Hi,

you cannot. Firefly version 7.1.G does not support open-shell MP2 gradients.

Kind regards,
Alex Granovsky

On Tue Feb 28 '12 4:12pm, gensz wrote
-------------------------------------
>i HAVE A PROBLEM RUNNING WITH A RADICAL IN MP2 BECAUSE IT'LL SAY "THE GRADIENT IS FOR RHF MP2 RUNS ONLY"

>HOW CAN I CHANGE THE GRADIENT SO THAT I CAN BE ABLE TO RUN WITH MP2? THANKS


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