B3P86 Functional

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Just Got Here

4:20:24 PM PDT - Tue, May 1st 2012
The problem I have now is that: xc vwn_3 0.19 perdew86 0.81 HFexch 0.20 slater 0.80 becke88 nonlocal 0.72 gives me the same result as: xc vwn_3 0.19 perdew86 nonlocal 0.81 HFexch 0.20 slater 0.80 becke88 nonlocal 0.72 This should not be the case since I did not ask NWChem to scale the local correlation in perdew86 with the first XC line.