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One can not use B3LYP as XC-potential. Starting from the adf2004.01 the B3LYP energy can be calculated post SCF (keyword HFEXCHANGE and METAGGA) using orbitals from a different XC-potential. One should include the keyword HFEXCHANGE also in the create of the atoms. Starting from the adf2006.01 the B3LYP potential can be also be calculated.
