basis libraries in nwchem


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  • Guest -
8:05:21 AM PDT - Wed, Aug 31st 2011
hi

I'm new to NWChem and I'm looking to find out how to express the basis 6-31G(d,p) u+1s
correctly in the input file. I'm running different optimize tasks looking for the combination of function/basis that provides me the best performance.

Thanks