
&FORCE_EVAL
  METHOD Quickstep
  &DFT
    &MGRID
      CUTOFF 300
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-10
    &END QS
    &SCF
      EPS_SCF 1.0E-6
      &MIXING
        METHOD DIRECT_P_MIXING
        ALPHA 0.4
      &END
      SCF_GUESS atomic
    &END SCF
    &XC
      &XC_FUNCTIONAL BLYP
      &END XC_FUNCTIONAL
      &XC_GRID
        XC_DERIV SPLINE3_smooth
        XC_SMOOTH_RHO SPLINE2
      &END XC_GRID
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 6.0 6.0 6.0
    &END CELL
    &COORD
   H          0.4981961107       -0.3770945797        1.3666688006
   O          0.4999225435        0.6139278384        0.4293782021
   H          0.4982568408        1.5974998458        1.3759387319
    &END COORD
    &KIND H
      BASIS_SET DZVP-GTH-BLYP
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH-BLYP
      POTENTIAL GTH-PADE-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL

  RUN_TYPE GEO_OPT
  PRINT_LEVEL LOW
&END GLOBAL
