cp2k/data/xc_section/CAM-B3LYP.sec

# CAM-B3LYP functional:
# T Yanai, DP Tew, NC Handy,
# A new hybrid exchange–correlation functional using the 
# Coulomb-attenuating method, Chemical Physics Letters 393 (2004)
#
# CUTOFF_RADIUS should be smaller ~box length/2.
#
    &XC
      &XC_FUNCTIONAL
         &HYB_GGA_XC_CAM_B3LYP
           _AC 0.81      
           _ALPHA 0.65   
           _BETA -0.46   
           _OMEGA 0.33   
         &END HYB_GGA_XC_CAM_B3LYP
      &END XC_FUNCTIONAL
      &HF
         FRACTION 1.0
         &HF_INFO ON
         &END
         &INTERACTION_POTENTIAL
            POTENTIAL_TYPE MIX_CL_TRUNC
            CUTOFF_RADIUS 4.5
            OMEGA 0.33
            SCALE_COULOMB 0.19
            SCALE_LONGRANGE 0.46
            T_C_G_DATA t_c_g.dat
         &END
         &SCREENING
           EPS_SCHWARZ 1.0E-10
           SCREEN_ON_INITIAL_P FALSE
         &END
      &END HF
      &vdW_POTENTIAL
          DISPERSION_FUNCTIONAL PAIR_POTENTIAL
          &PAIR_POTENTIAL
            TYPE DFTD3
            CALCULATE_C9_TERM .FALSE.
            PARAMETER_FILE_NAME dftd3.dat
            REFERENCE_FUNCTIONAL CAMB3LYP
          &END PAIR_POTENTIAL
      &END vdW_POTENTIAL
    &END XC