&GLOBAL
  PROJECT  H2O_md_periodic
  PRINT_LEVEL MEDIUM
  RUN_TYPE MD
  &TIMINGS
     THRESHOLD 0.01
  &END
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE NVE
    STEPS  1
  &END
&END MOTION
&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME  HFX_BASIS
    SORT_BASIS EXP
    POTENTIAL_FILE_NAME  POTENTIAL
    &MGRID
      CUTOFF  100
      REL_CUTOFF  20
    &END MGRID
    &QS
      METHOD GPW
    &END QS
    &SCF
      SCF_GUESS RESTART
      EPS_SCF 1.0E-7
      MAX_SCF 100
    &END SCF
    &XC
      # RPA@PBE0
      &XC_FUNCTIONAL PBE
         &PBE
            SCALE_X 0.75
         &END
      &END XC_FUNCTIONAL
      &HF
        FRACTION 0.25
        &SCREENING
          EPS_SCHWARZ 1.0E-8
        &END SCREENING
        &INTERACTION_POTENTIAL
          POTENTIAL_TYPE TRUNCATED
          CUTOFF_RADIUS 2.0
        &END INTERACTION_POTENTIAL
      &END HF
      &WF_CORRELATION
        &RI_RPA
          QUADRATURE_POINTS  3
          &HF
            FRACTION 1.0
            &SCREENING
              EPS_SCHWARZ 1.0E-8
            &END SCREENING
            &INTERACTION_POTENTIAL
              POTENTIAL_TYPE TRUNCATED
              CUTOFF_RADIUS 2.0
            &END INTERACTION_POTENTIAL
            &RI
              EPS_FILTER 1.0E-12
            &END
          &END HF
        &END
        &LOW_SCALING
          MEMORY_CUT 2
        &END
        &INTEGRALS
          ERI_METHOD MME
        &END INTEGRALS
        &RI
          &RI_METRIC
            POTENTIAL_TYPE TRUNCATED
            CUTOFF_RADIUS 1.5
          &END
        &END RI
      &END
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC [angstrom]  7.000   7.000  7.000
      ALPHA_BETA_GAMMA 60.0 60.0 60.0
      PERIODIC XYZ
    &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_NAME  H2O_gas.xyz
      COORD_FILE_FORMAT xyz
      &CENTER_COORDINATES
      &END
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
