&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME ../../../data/BASIS_MOLOPT
    POTENTIAL_FILE_NAME ../../../data/GTH_POTENTIALS
    &MGRID
      CUTOFF 50
      REL_CUTOFF 30
    &END MGRID
    &QS
      METHOD GPW
    &END QS
    &AUXILIARY_DENSITY_MATRIX_METHOD
      ADMM_PURIFICATION_METHOD NONE
      METHOD BLOCKED_PROJECTION
      BLOCK_LIST 1 2 3
      BLOCK_LIST 4 5 6
    &END
    &POISSON
      PERIODIC NONE
      PSOLVER MT
    &END
    &SCF
      EPS_SCF 1.0E-6
      SCF_GUESS ATOMIC
      MAX_SCF 10
      &OT ON
      &END
    &END SCF
    &XC
      &XC_FUNCTIONAL
        &PBE
          SCALE_X 0.75
          SCALE_C 1.0
        &END
      &END XC_FUNCTIONAL
      &HF
        &SCREENING
          EPS_SCHWARZ 1.0E-6
          SCREEN_ON_INITIAL_P FALSE
        &END
        &MEMORY
          MAX_MEMORY 900
          EPS_STORAGE_SCALING 0.1
        &END
        &INTERACTION_POTENTIAL
          POTENTIAL_TYPE COULOMB
        &END
        FRACTION 0.25
      &END
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 12.0 12.0 12.0 
      PERIODIC NONE
    &END CELL
    &COORD
  O        -4.1351226463        5.6217295343        4.1734819049
  H        -3.6794166617        5.9133996620        3.3765746437
  H        -4.8659807993        5.0922120122        3.8367105410
  O        5.7983928770        5.3062005829        2.0727136006
  H        5.6607899469        5.2055648779        3.0234478427
  H        6.9276058519        5.1612802270        1.6955450552
    &END COORD
    &KIND H
      BASIS_SET SZV-MOLOPT-GTH
      AUX_FIT_BASIS_SET SZV-MOLOPT-GTH
      POTENTIAL GTH-PBE-q1
    &END KIND
    &KIND O
      BASIS_SET SZV-MOLOPT-GTH
      AUX_FIT_BASIS_SET SZV-MOLOPT-GTH
      POTENTIAL GTH-PBE-q6
     &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT 2H2O-BLOCKED-PURIFY-BLOCKED
  PRINT_LEVEL MEDIUM
  RUN_TYPE ENERGY
  &TIMINGS
    THRESHOLD 0.000000001
  &END
&END GLOBAL
