Error in the input: MPWB95

How do I optimize a molecule at the theoretical level MPWB95? Has anyone ever run a calculation on this level? It is giving error when I enter energy (‘mpwb95’) in the input.

Best regards, Leila.

mpwb95 is not pre-defined in neither LibXC nor psi4 itself.

If you really want it you can define your own functional.
see the instructions at

I think you will just need XC_GGA_X_MPW91 and XC_MGGA_C_BC95, but I am not very familiar with this functional.

And you need to use a recent psi4 version.

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