PC GAMESS-related discussion club

Re: Basis set for la-lu

Vitaliy Gorbenko
vgorbenko@ukr.net

You have some mistakes. If you are choosing RHF then don't apply MULT=2. Next, you can't use the basis set 6-311G for La.
For your DATA you may use pseudopotential SBKJC.
With best regards,

Dr. Vitaliy Gorbenko


On Mon Oct 13 '08, Siavash Riahi wrote
--------------------------------------
>Dear all
>I perform various calculations using Lanthanum metals with organic molecules attached to them. which basis set in gamess was used? and How can I put keyword in input file?. The sample file was attached. Is correct?
>thanks a lot
>siavash

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