[CP2K-user] [CP2K:19667] Questions about vdW D4

[Minwoo Kim]

Thank you for your attentions.

I have question about How can iapply the vdW D4 term in cp2k...?

i hope to use thre "r2scan-d4" xc-functionals with vdW D4,

Q1. Can I just put in the vdW term like below...?
      &VDW_POTENTIAL
        POTENTIAL_TYPE PAIR_POTENTIAL 
        &PAIR_POTENTIAL
          TYPE DFTD3(BJ)
          PARAMETER_FILE_NAME dftd3.dat
          ! REFERENCE_FUNCTIONAL D3(BJ)
          CALCULATE_C9_TERM .TRUE.
          D3BJ_SCALING 1 0.51559235 0.60187490 5.77342911
        &END PAIR_POTENTIAL
      &END VDW_POTENTIAL

Thank you...!

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