PC GAMESS-related discussion club


Re: Basis set for la-lu

Jamshid Najafpour
j.najafpour@gmail.com


Hi;

If you will put NGAUSS=6 in $BASIS line, your basis set is 6-311G.

Best Whishes
Jamshid
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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