&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    &MGRID
      CUTOFF 200
    &END MGRID
    &QS
      EPS_DEFAULT 1.E-14
      EPS_KG_ORB 1.0E-5
      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
    &KG_METHOD
       &XC
         &XC_FUNCTIONAL
           &TF
           &END
         &END
       &END XC
    &END KG_METHOD
    &ENERGY_CORRECTION
      HARRIS_BASIS PRIMITIVE
      &XC
        &XC_FUNCTIONAL
           &PBE
           &END
        &END
      &END XC
    &END ENERGY_CORRECTION
    &SCF
      EPS_SCF 1.0E-5
      SCF_GUESS ATOMIC
    &END
    &XC
      &XC_FUNCTIONAL
        &PADE
        &END
      &END
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 6.0 6.0 6.0
    &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 ORB DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND O
      BASIS_SET ORB DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT H2
  RUN_TYPE ENERGY
  PRINT_LEVEL LOW
&END GLOBAL
