&GLOBAL
  PRINT_LEVEL LOW
  PROJECT at
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    &MGRID
      CUTOFF 200
    &END MGRID
    &PRINT
      &ENERGY_DECOMPOSITION_ANALYSIS
      &END ENERGY_DECOMPOSITION_ANALYSIS
    &END PRINT
    &QS
      EPS_DEFAULT 1.E-10
      METHOD GPW
    &END QS
    &SCF
      EPS_SCF 1.0E-7
      MAX_SCF 10
      SCF_GUESS ATOMIC
      &OT
        MINIMIZER DIIS
        PRECONDITIONER FULL_ALL
        STEPSIZE 0.01
      &END OT
      &OUTER_SCF
        EPS_SCF 1.0E-7
        MAX_SCF 12
      &END OUTER_SCF
    &END SCF
    &XC
      &VDW_POTENTIAL
        DISPERSION_FUNCTIONAL PAIR_POTENTIAL
        &PAIR_POTENTIAL
          CALCULATE_C9_TERM .TRUE.
          EPS_CN 0.01
          LONG_RANGE_CORRECTION .TRUE.
          PARAMETER_FILE_NAME dftd3.dat
          REFERENCE_C9_TERM .TRUE.
          REFERENCE_FUNCTIONAL PBE
          R_CUTOFF 8.
          TYPE DFTD3
        &END PAIR_POTENTIAL
      &END VDW_POTENTIAL
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &PROPERTIES
    &ATOMIC
      ENERGY T
    &END ATOMIC
  &END PROPERTIES
  &SUBSYS
    &CELL
      ABC [angstrom] 5.0 5.0 5.0
    &END CELL
    &COORD
      O   0.000000    0.000000   -0.065587
      H   0.000000   -0.757136    0.520545
      H   0.000000    0.757136    0.520545
    &END COORD
    &KIND H
      BASIS_SET DZV-GTH-PADE
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q6
    &END KIND
    &TOPOLOGY
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
