https://groups.google.com/g/cp2k/c/hKU0yMZXzfU/m/HxaWxHx9BwAJ
There are also the pseudopotential for SCAN
https://groups.google.com/g/cp2k/c/k0M3XuOdIHI/m/TEeDFRMwAAAJ
Regarding DFT for water, you can start from here
https://doi.org/10.1063/1.4944633
Hope it helps
Ivan
&vdW_POTENTIAL
DISPERSION_FUNCTIONAL PAIR_POTENTIAL
&PAIR_POTENTIAL
R_CUTOFF 40.0
TYPE DFTD3
D3_SCALING 1.0 1.324 0.0
PARAMETER_FILE_NAME dftd3.dat
! REFERENCE_FUNCTIONAL SCAN
&END PAIR_POTENTIAL
&END vdW_POTENTIAL
Please comment if it is okay or any better way dir vdW is required for water with SCAN?
Best regards
Niharendu Choudhury
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