How to use CBS (Complete Basis Set�?in NWCHEM
Clicked A Few Times
1:53:21 AM PDT - Fri, May 4th 2012
How can I use CBS (Complete Basis Set?in NWCHEM?

Forum Vet
8:39:14 AM PDT - Fri, May 4th 2012
You will be able to do the different calculations needed for the CBS, i.e. DZ, TZ, QZ, 5Z with the basis sets in NWChem. However, NWChem will not automatically do the fitting to the CBS function and estimate the basis set limit.

Bert


[QUOTE=Lmyiop May 4th 8:53 am]How can I use CBS (Complete Basis Set?in NWCHEM?[/quote]


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