[molpro-user] b3lyp as implemened in Gaussian

Brian Papas bpapas at chem.uga.edu
Tue Dec 14 21:37:14 GMT 2004

As best as I can tell, Molpro does not contain the VWN functional required
to reproduce b3lyp as implemented by the people at Gaussian.  Instead, it
can only do the 'b3lyp5' functional as found in Q-Chem.  Is this true, or
is it possible to reproduce the Gaussian style b3lyp which has become the
standard version?


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