&GLOBAL
  PRINT_LEVEL LOW
  PROJECT water
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 200
      NGRIDS 5
    &END MGRID
    &POISSON
      PERIODIC NONE
      POISSON_SOLVER ANALYTIC
    &END POISSON
    &QS
      EPS_DEFAULT 1.0E-12
      METHOD GAPW
    &END QS
    &RELATIVISTIC
      DKH_ORDER 2
      METHOD DKH
      TRANSFORMATION ATOM
    &END RELATIVISTIC
    &SCF
      EPS_SCF 1.0E-4
      MAX_SCF 20
      SCF_GUESS ATOMIC
      &OT
        ENERGY_GAP 0.001
        MINIMIZER DIIS
        PRECONDITIONER FULL_ALL
      &END OT
    &END SCF
    &XC
      &XC_FUNCTIONAL PADE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 10.0 10.0 10.0
      PERIODIC NONE
    &END CELL
    &COORD
      O   0.000000    0.000000    0.000000
      H   0.000000    0.500000    0.750000
      H   0.000000   -0.500000    0.750000
    &END COORD
    &KIND O
      BASIS_SET DZ-ANO
      POTENTIAL ALL
    &END KIND
    &KIND H
      BASIS_SET DZ-ANO
      POTENTIAL ALL
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
