[CP2K-user] [CP2K:12548] Re: M06-2X DFT functional

[Frederick Stein]

Hi,

It seems, there is no XC_HYB_MGGA_XC_M06_2X keyword in 4.3.4. Instead, you 
need XC_HYB_MGGA_X_M06_2X and XC_MGGA_XC_M06_2X (+HF section). This 
combination runs on my machine with the development version. I will update 
the link with the list of available functionals in our manual.

Best,

Frederick
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