[CP2K-user] M06-2X DFT functional

[Frederick Stein]

Hi,

Then you have to use the appropriate Libxc functional, look for the 
original paper (or in the Libxc source code) for the Hartree-Fock fraction 
and adjust the Hartree-Fock section accordingly. Unfortunately, CP2K does 
not ask Libxc explicitly for the parameters of the Hartree-Fock section. 
Thus, you have to provide the Hartree-Fock section yourself.

Best,

Frederick
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