&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT h2o_dist
  RUN_TYPE ENERGY_FORCE
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 200
      ! first grid, leave it up to cp2k to distribute or not
      ! if distributed the x direction should be sliced in 3,
      ! the others are free
      &RS_GRID
        DISTRIBUTION_LAYOUT 3 -1 -1
        DISTRIBUTION_TYPE AUTOMATIC
      &END RS_GRID
    &END MGRID
    &QS
      EXTRAPOLATION_ORDER 3
      METHOD GAPW
      WF_INTERPOLATION PS
    &END QS
    &SCF
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 3
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &XC_FUNCTIONAL Pade
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 9.865 9.865 9.865
    &END CELL
    &COORD
      O                  -4.583   5.333   1.560   H2O
      H                  -3.777   5.331   0.943   H2O
      H                  -5.081   4.589   1.176   H2O
    &END COORD
    &KIND H
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
