&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    &MGRID
      CUTOFF 100
      &RS_GRID
         MAX_DISTRIBUTED_LEVEL 5
      &END
      SKIP_LOAD_BALANCE_DISTRIBUTED
    &END MGRID
    &QS
      EPS_DEFAULT 5.8E-9
      EPS_KG_ORB 1.0E-6
      LS_SCF
      KG_METHOD
    &END QS
    &LS_SCF
      MAX_SCF     40
      EPS_FILTER  1.0E-6
      EPS_SCF     1.0E-7
      MU         -0.1
      PURIFICATION_METHOD TRS4
    &END
    &SCF
      EPS_SCF 1.0E-8
      SCF_GUESS ATOMIC
    &END
    &KG_METHOD
      &XC
        &XC_FUNCTIONAL
          &KE_GGA
            FUNCTIONAL LLP
          &END
        &END
        &XC_GRID
          XC_DERIV SPLINE2
        &END
      &END XC
    &END KG_METHOD
    &XC
      &XC_FUNCTIONAL
        &PADE
        &END
      &END
      &XC_GRID
        XC_DERIV SPLINE2
      &END
      &vdW_POTENTIAL
         DISPERSION_FUNCTIONAL PAIR_POTENTIAL
         &PAIR_POTENTIAL
            TYPE DFTD3
            CALCULATE_C9_TERM .FALSE.
            PARAMETER_FILE_NAME dftd3.dat
            VERBOSE_OUTPUT
            REFERENCE_FUNCTIONAL PBE
            MOLECULE_CORRECTION .TRUE.
            MOLECULE_CORRECTION_C8  1.0
            R_CUTOFF 8.
            &PRINT_DFTD
            &END
         &END PAIR_POTENTIAL
      &END vdW_POTENTIAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 4.0 6.0 3.0
    &END CELL
    &COORD
    O   0.000000    0.000000   -0.065587 H2O
    H   0.000000   -0.757136    0.520545 H2O
    H   0.000000    0.757136    0.520545 H2O
    H   2.000000    2.500000    0.000000 H2
    H   2.000000   -2.500000    0.000000 H2
    &END COORD
    &KIND H
      BASIS_SET SZV-MOLOPT-GTH
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-MOLOPT-GTH
      POTENTIAL GTH-PADE-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT H2
  RUN_TYPE ENERGY
  PRINT_LEVEL MEDIUM
&END GLOBAL
