&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME ../../../data/GTH_BASIS_SETS
    POTENTIAL_FILE_NAME ../../../data/GTH_POTENTIALS
    &MGRID
      CUTOFF 200 
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-10
      METHOD GPW
    &END QS
    &POISSON
      PERIODIC NONE
      PSOLVER MT
    &END
    &SCF
      SCF_GUESS RANDOM 
      EPS_SCF 1.0E-7
      MAX_SCF 3
      &OT
      &END
    &END SCF
    &XC
      &XC_FUNCTIONAL NONE 
      &END XC_FUNCTIONAL
      &HF
        &SCREENING
          EPS_SCHWARZ 1.0E-7
        &END
#       &PERIODIC
#         NUMBER_OF_SHELLS 0
#       &END
        PW_HFX
      &END
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 8 8 8
      PERIODIC NONE
    &END CELL
     &COORD
 O -3.4962883 2.233242 -3.0432692
 H -3.9611244 2.2596521 -3.9482603
 H -3.9524803 1.5951881 -2.4542542
     &END COORD
     &KIND H
       BASIS_SET SZV-GTH
       POTENTIAL GTH-PBE-q1 
     &END KIND
     &KIND O
       BASIS_SET SZV-GTH
       POTENTIAL GTH-PBE-q6
     &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT H2O_pw
  WALLTIME    84500
  RUN_TYPE    ENERGY
  PRINT_LEVEL MEDIUM
&END GLOBAL
