&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT H2O
  RUN_TYPE DEBUG
&END GLOBAL

&DEBUG
  CHECK_ATOM_FORCE 1 Z
  DEBUG_DIPOLE .FALSE.
  DEBUG_FORCES .TRUE.
  DEBUG_POLARIZABILITY .FALSE.
  DEBUG_STRESS_TENSOR .FALSE.
&END DEBUG

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME HFX_BASIS
    POTENTIAL_FILE_NAME POTENTIAL
    SORT_BASIS EXP
    &MGRID
      CUTOFF 250
      REL_CUTOFF 60
    &END MGRID
    &POISSON
      PERIODIC NONE
      POISSON_SOLVER MT
    &END POISSON
    &QS
      METHOD GPW
    &END QS
    &SCF
      ADDED_MOS 10
      EPS_SCF 1.0E-7
      MAX_SCF 100
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &WF_CORRELATION
        &INTEGRALS
          ERI_METHOD OS
        &END INTEGRALS
        &LOW_SCALING
          MEMORY_CUT 2
        &END LOW_SCALING
        &RI
          &RI_METRIC
            POTENTIAL_TYPE IDENTITY
          &END RI_METRIC
        &END RI
        &RI_RPA
          QUADRATURE_POINTS 3
          &HF
            FRACTION 1.0000000
            &SCREENING
              EPS_SCHWARZ 1.0E-8
            &END SCREENING
          &END HF
        &END RI_RPA
      &END WF_CORRELATION
      # RPA@PBE
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC [angstrom] 6.000 6.000 6.000
      PERIODIC NONE
    &END CELL
    &KIND H
      BASIS_SET DZVP-GTH
      BASIS_SET RI_AUX RI_DZVP-GTH
      POTENTIAL GTH-HF-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH
      BASIS_SET RI_AUX RI_DZVP-GTH
      POTENTIAL GTH-HF-q6
    &END KIND
    &TOPOLOGY
      COORD_FILE_FORMAT xyz
      COORD_FILE_NAME H2O_gas.xyz
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
