&GLOBAL
  PRINT_LEVEL LOW
  PROJECT GRAD_H2O_gpw
  RUN_TYPE GEO_OPT
  &TIMINGS
    THRESHOLD 0.001
  &END TIMINGS
&END GLOBAL

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

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME GTH_BASIS_SETS
    BASIS_SET_FILE_NAME HFX_BASIS
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 150
      REL_CUTOFF 30
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-12
      METHOD GPW
    &END QS
    &SCF
      EPS_SCF 1.0E-6
      MAX_SCF 100
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &HF
        FRACTION 1.0000000
        &INTERACTION_POTENTIAL
          CUTOFF_RADIUS 2.0
          POTENTIAL_TYPE TRUNCATED
          T_C_G_DATA t_c_g.dat
        &END INTERACTION_POTENTIAL
        &RI
          EPS_FILTER 1.0E-12
        &END RI
        &SCREENING
          EPS_SCHWARZ 1.0E-9
          EPS_SCHWARZ_FORCES 1.0E-9
          SCREEN_ON_INITIAL_P .FALSE.
        &END SCREENING
      &END HF
      &WF_CORRELATION
        MEMORY 1.00
        NUMBER_PROC 1
        &CANONICAL_GRADIENTS
          EPS_CANONICAL 0.0001
          FREE_HFX_BUFFER .TRUE.
          &CPHF
            EPS_CONV 1.0E-4
            MAX_ITER 10
          &END CPHF
        &END CANONICAL_GRADIENTS
        &INTEGRALS
          ERI_METHOD MME
          &WFC_GPW
            CUTOFF 100
            EPS_FILTER 1.0E-6
            EPS_GRID 1.0E-6
            REL_CUTOFF 30
          &END WFC_GPW
        &END INTEGRALS
        &RI_MP2
          BLOCK_SIZE 1
        &END RI_MP2
      &END WF_CORRELATION
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &PRINT
    &FORCES
    &END FORCES
  &END PRINT
  &SUBSYS
    &CELL
      ABC [angstrom] 5.0 5.0 5.0
    &END CELL
    &COORD
      O       0.000000    0.000000    -0.211000
      H       0.000000   -0.844000     0.495000
      H       0.000000    0.744000     0.495000
    &END COORD
    &KIND H
      BASIS_SET SZV-GTH
      BASIS_SET RI_AUX RI_DZVP-GTH
      POTENTIAL GTH-HF-q1
    &END KIND
    &KIND O
      BASIS_SET SZV-GTH
      BASIS_SET RI_AUX RI_DZVP-GTH
      POTENTIAL GTH-HF-q6
    &END KIND
    &TOPOLOGY
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
