How to specify the B(5%HF)P86 functional

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11:00:32 AM PDT - Wed, Jul 22nd 2015
That input for that functional would probably look like xc becke88 0.95 hfexch 0.05 perdew86 1.0 Arbitrary combinations of all supported functionals can be input in a similar manner. Check out the DFT documentation page for more examples. Best, Sean