&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    &MGRID
      CUTOFF 200
    &END MGRID
    &QS
      EPS_DEFAULT 1.E-10
      EPS_KG_ORB 1.0E-5
    &END QS
    &ENERGY_CORRECTION
      ENERGY_FUNCTIONAL HARRIS
      HARRIS_BASIS HARRIS  
      ALGORITHM OT_DIAG
      OT_INITIAL_GUESS GROUND_STATE
      &XC
        &XC_FUNCTIONAL
           &PBE
           &END
        &END
      &END XC
    &END ENERGY_CORRECTION
    &SCF
      EPS_SCF 1.0E-5
      SCF_GUESS ATOMIC
    &END
    &XC
      &XC_FUNCTIONAL
        &PADE
        &END
      &END
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 6.0 6.0 6.0
    &END CELL
    &COORD
    O     0.000000     0.000000     0.000000    H2O1
    H     0.000000     0.000000     1.000000    H2O1
    H     0.942809     0.000000    -0.333333    H2O1
    &END COORD
    &KIND H
      BASIS_SET ORB SZV-MOLOPT-GTH
      BASIS_SET HARRIS SZV-MOLOPT-GTH
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND O
      BASIS_SET ORB SZV-MOLOPT-GTH
      BASIS_SET HARRIS SZV-MOLOPT-GTH
      POTENTIAL GTH-PADE-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT H2O_ec_otdiag_gs
  RUN_TYPE ENERGY
  PRINT_LEVEL LOW
&END GLOBAL
