&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT H2O_block_rpa_grad
  RUN_TYPE GEO_OPT
  &TIMINGS
    THRESHOLD 0.01
  &END TIMINGS
&END GLOBAL

&MOTION
  &GEO_OPT
    MAX_ITER 1
  &END GEO_OPT
&END MOTION

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME HFX_BASIS
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 100
      REL_CUTOFF 20
    &END MGRID
    &POISSON
      PERIODIC XYZ
      POISSON_SOLVER WAVELET
    &END POISSON
    &QS
      EPS_DEFAULT 1.0E-10
      METHOD GPW
    &END QS
    &SCF
      EPS_SCF 1.0E-6
      MAX_SCF 100
      SCF_GUESS RESTART
      ! ADDED_MOS 15000 15000
    &END SCF
    &XC
      &WF_CORRELATION
        MEMORY 200.
        NUMBER_PROC 2
        &INTEGRALS
          ERI_METHOD GPW
          &WFC_GPW
            CUTOFF 50
            REL_CUTOFF 20
          &END WFC_GPW
        &END INTEGRALS
        &RI_RPA
          MINIMAX
          QUADRATURE_POINTS 4
        &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-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
