&GLOBAL                                                                                           
  PROJECT     GRAD_H2O_gpw
  PRINT_LEVEL LOW
  RUN_TYPE    GEO_OPT
&END GLOBAL
&MOTION
  &GEO_OPT
    MAX_ITER  1
  &END
&END MOTION
&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME  ../../../data/HFX_BASIS
    POTENTIAL_FILE_NAME  ../../../data/POTENTIAL
    &MGRID
      CUTOFF     150
      REL_CUTOFF  30
    &END MGRID
    &QS
      METHOD GPW
      EPS_DEFAULT 1.0E-12
    &END QS
    &SCF
      SCF_GUESS   ATOMIC
      EPS_SCF     1.0E-6
      MAX_SCF     100
    &END SCF
    &XC
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
      &HF
        FRACTION 1.0000000
        &SCREENING
          SCREEN_ON_INITIAL_P .FALSE.
          EPS_SCHWARZ         1.0E-9
          EPS_SCHWARZ_FORCES  1.0E-9
        &END SCREENING
        &INTERACTION_POTENTIAL
          POTENTIAL_TYPE TRUNCATED
          CUTOFF_RADIUS 2.4999999999
          T_C_G_DATA ../../../data/t_c_g.dat
        &END
      &END HF
      &WF_CORRELATION
        METHOD  RI_MP2_GPW
        &RI_MP2
          BLOCK_SIZE  1
          EPS_CANONICAL 0.00001
          FREE_HFX_BUFFER .TRUE.
        &END
        &CPHF
          EPS_CONV  1.0E-6
          MAX_ITER  50
        &END
        &WFC_GPW
          CUTOFF      150
          REL_CUTOFF  30
          EPS_FILTER  1.0E-12
          EPS_GRID    1.0E-8
        &END
        MEMORY       1.00
        NUMBER_PROC  1
      &END
    &END XC
  &END DFT
  &PRINT
   &FORCES
   &END
  &END
  &SUBSYS
    &CELL
      ABC [angstrom]  5.0 5.0 5.0
    &END CELL
    &KIND H
      BASIS_SET         DZVP-GTH
      RI_AUX_BASIS_SET  RI_DZVP-GTH
      POTENTIAL         GTH-HF-q1
    &END KIND
    &KIND O
      BASIS_SET         DZVP-GTH
      RI_AUX_BASIS_SET  RI_DZVP-GTH
      POTENTIAL         GTH-HF-q6
    &END KIND
    &COORD
      O       0.000000    0.000000    -0.211000
      H       0.000000   -0.844000     0.495000
      H       0.000000    0.744000     0.495000
    &END
    &TOPOLOGY
      &CENTER_COORDINATES
      &END
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
