&GLOBAL
  PREFERRED_FFT_LIBRARY FFTSG
  PRINT_LEVEL MEDIUM
  PROJECT RPA_AXK_H2O
  RUN_TYPE ENERGY
  &TIMINGS
    THRESHOLD 0.01
  &END TIMINGS
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME HFX_BASIS
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    &MGRID
      CUTOFF 100
      REL_CUTOFF 20
    &END MGRID
    &POISSON
      PERIODIC XYZ
      POISSON_SOLVER WAVELET
    &END POISSON
    &QS
      EPS_DEFAULT 1.0E-11
      METHOD GPW
    &END QS
    &SCF
      EPS_SCF 1.0E-6
      MAX_SCF 100
      SCF_GUESS ATOMIC
      &PRINT
        &RESTART OFF
        &END RESTART
      &END PRINT
    &END SCF
    &XC
      &WF_CORRELATION
        MEMORY 200.
        NUMBER_PROC 1
        &INTEGRALS
          ERI_METHOD GPW
          &WFC_GPW
            CUTOFF 50
            EPS_FILTER 1.0E-6
            EPS_GRID 1.0E-6
            REL_CUTOFF 20
          &END WFC_GPW
        &END INTEGRALS
        &RI_RPA
          RPA_NUM_QUAD_POINTS 1
          &EXCHANGE_CORRECTION AXK
            USE_HFX_IMPLEMENTATION T
          &END EXCHANGE_CORRECTION
          &HF
            FRACTION 1.0000000
            &SCREENING
              EPS_SCHWARZ 1.0E-6
              SCREEN_ON_INITIAL_P FALSE
            &END SCREENING
          &END HF
        &END RI_RPA
      &END WF_CORRELATION
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC [angstrom] 4.000 4.000 4.000
      PERIODIC XYZ
    &END CELL
    &KIND H
      BASIS_SET DZVP-GTH
      BASIS_SET RI_AUX RI_DZVP-GTH
      POTENTIAL GTH-PBE-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH
      BASIS_SET RI_AUX RI_DZVP-GTH
      POTENTIAL GTH-PBE-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
