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The B3LYP functional functional is wrong in XCFun. The functional uses VWN(RPA) not VWN5.
https://doi.org/10.1016/S0009-2614(97)00207-8
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The B3LYP functional functional is wrong in XCFun. The functional uses VWN(RPA) not VWN5.
https://doi.org/10.1016/S0009-2614(97)00207-8