basis set

Matt Hodges matt at stchem.bham.ac.uk
Thu Mar 20 16:52:04 GMT 2003


>>>>> Iryna writes:

 > I would like to use Sadlej pVTZ basis set in my calculations. This
 > basis set is not from Molpro basis set library. Does anyone know
 > how to input this basis set?

You can get this basis set (along with many others) from:

          <URL:http://www.emsl.pnl.gov:2080/forms/basisform.html>

The supported elements are:

Sadlej pVTZ:                                                                                                                    
H  Li Be C  N  O  F  Na Mg Si P  S  Cl K  Ca Br Rb Sr I                                                                         
                                                                                                                                
Matt

-- 
Dr. Matt Hodges
School of Chemical Sciences
University of Birmingham



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