&FORCE_EVAL
  METHOD Quickstep
  &DFT
    &PRINT
      &DOS
         APPEND
         DELTA_E 0.001
         &EACH
            GEO_OPT 2
         &END
      &END
    &END
    BASIS_SET_FILE_NAME GTH_BASIS_SETS
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 200
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-12
      EXTRAPOLATION PS
      EXTRAPOLATION_ORDER 2
    &END QS
    &SCF
      EPS_SCF 1.0E-6
      SCF_GUESS ATOMIC
      MAX_SCF 10
      ADDED_MOS 100
      &OT OFF
      &END
    &END SCF
    &XC
      &XC_FUNCTIONAL PADE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 6.0 6.0 6.0
    &END CELL
    &COORD
    O   0.000000    0.000000   -0.065587
    H   0.000000   -0.757136    0.520545
    H   0.000000    0.757136    0.520545
    &END COORD
    &KIND H
      BASIS_SET DZVP-GTH
      POTENTIAL GTH-BLYP-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH
      POTENTIAL GTH-BLYP-q6
    &END KIND
    &TOPOLOGY
      CONNECTIVITY GENERATE
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
&MOTION
 &GEO_OPT
  OPTIMIZER BFGS
  MAX_ITER 4
 &END
&END
&GLOBAL
  PROJECT H2O-geo-dos
  PRINT_LEVEL LOW
  RUN_TYPE GEO_OPT
&END GLOBAL
