&FORCE_EVAL
  METHOD Quickstep
  &DFT
    &PRINT
      &PDOS
         &EACH
            GEO_OPT 2
         &END
         &LDOS
           LIST 1 2 3 
         &END
         &LDOS
           LIST 3 2 1
         &END
      &END
    &END
    BASIS_SET_FILE_NAME ../../../data/GTH_BASIS_SETS
    POTENTIAL_FILE_NAME ../../../data/POTENTIAL
    &MGRID
      CUTOFF 200
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-12
      EXTRAPOLATION PS 
      EXTRAPOLATION_ORDER 2
      MAP_CONSISTENT
    &END QS
    &SCF
      EPS_SCF 1.0E-6
      SCF_GUESS ATOMIC
      MAX_SCF 10
      &OT
      &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-ot-pdos
  PRINT_LEVEL MEDIUM
  RUN_TYPE GEO_OPT
&END GLOBAL
