TZV(2d,2p) basis set
Clicked A Few Times
3:13:48 AM PDT - Thu, May 3rd 2012
How can I define the basis set parameter in the input file if I want to use TZV(2d,2p) basis set in NWCHEM?

Is "* library TZV(2d,2p) " right ?

Forum Vet
9:49:42 AM PDT - Thu, May 3rd 2012
The format would be:

basis
 * library "TZV(2d,2p)"
end

But, this basis set is not in the NWChem basis set library. All basis sets listed on bse.pnl.gov are available.

Bert




Quote:Lmyiop May 3rd 10:13 am
How can I define the basis set parameter in the input file if I want to use TZV(2d,2p) basis set in NWCHEM?

Is "* library TZV(2d,2p) " right ?


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