&GLOBAL
  PROJECT gapw_h2o
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT_UZH
    &MGRID
      CUTOFF 800
      REL_CUTOFF 80
    &END MGRID
    &POISSON
      PERIODIC NONE
      PSOLVER MT
    &END POISSON
    &QS
      EPSFIT 1.0E-6
      EPSRHO0 1.0E-8
      EPSSVD 1.0E-10
      METHOD GAPW
    &END QS
    &SCF
      EPS_SCF 1.0E-6
      MAX_SCF 50
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 10.0 10.0 10.0
      PERIODIC NONE
    &END CELL
    &COORD
      O  5.0000  5.0000  5.0000
      H  5.7586  5.0000  5.5043
      H  4.2414  5.0000  5.5043
    &END COORD
    &KIND O
      BASIS_SET SVP-MOLOPT-GGA-ae
      LEBEDEV_GRID 110
      POTENTIAL ALL
      RADIAL_GRID 80
    &END KIND
    &KIND H
      BASIS_SET SVP-MOLOPT-GGA-ae
      LEBEDEV_GRID 110
      POTENTIAL ALL
      RADIAL_GRID 80
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
