&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
BASIS_SET_FILE_NAME BASIS_ADMM
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    &MGRID
      CUTOFF 100
      REL_CUTOFF 30
    &END MGRID
    &QS
      METHOD GPW
      EPS_PGF_ORB 1.0E-12
   EPS_FILTER_MATRIX 0.0e0
    &END QS
    &AUXILIARY_DENSITY_MATRIX_METHOD
      METHOD BASIS_PROJECTION
      EXCH_CORRECTION_FUNC PBEX_LIBXC
      ADMM_PURIFICATION_METHOD NONE
    &END
    &POISSON
      PERIODIC NONE
      PSOLVER MT
    &END
    &SCF
      EPS_SCF 1.0E-6
      SCF_GUESS ATOMIC
      MAX_SCF 10
      &OUTER_SCF
        EPS_SCF 1.0E-6
        MAX_SCF 10
      &END OUTER_SCF
      &OT ON
        MINIMIZER DIIS
      &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 6.0 6.0 6.0
      PERIODIC NONE
    &END CELL
    &KIND H
      BASIS_SET         DZVP-MOLOPT-GTH
BASIS_SET AUX_FIT cFIT3
      POTENTIAL         GTH-PBE-q1
    &END KIND
    &KIND O
      BASIS_SET         DZVP-MOLOPT-GTH
BASIS_SET AUX_FIT cFIT3
      POTENTIAL         GTH-PBE-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 COORD
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT H2O-BP-PBEX
  PRINT_LEVEL MEDIUM
  RUN_TYPE ENERGY
  &TIMINGS
    THRESHOLD 0.000000001
  &END
&END GLOBAL
