&GLOBAL
  PRINT_LEVEL LOW
  PROJECT_NAME OH_NATIVE_GPW_PBE_UKS_REFERENCE
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME GTH_BASIS_SETS
    MULTIPLICITY 2
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    UKS TRUE
    &MGRID
      CUTOFF 150
      REL_CUTOFF 30
    &END MGRID
    &POISSON
      PERIODIC XYZ
    &END POISSON
    &QS
      EPS_DEFAULT 1.0E-8
      EXTRAPOLATION USE_PREV_WF
      METHOD GPW
    &END QS
    &SCF
      EPS_SCF 1.0E-3
      MAX_SCF 80
      SCF_GUESS ATOMIC
      &DIAGONALIZATION
      &END DIAGONALIZATION
      &MIXING
        ALPHA 0.4
      &END MIXING
    &END SCF
    &XC
      &XC_FUNCTIONAL
        &PBE
        &END PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 6.0 6.0 6.0
      PERIODIC XYZ
    &END CELL
    &COORD
      O 3.0 3.0 3.0
      H 3.0 3.0 3.97
    &END COORD
    &KIND O
      BASIS_SET DZVP-GTH
      POTENTIAL GTH-PBE-q6
    &END KIND
    &KIND H
      BASIS_SET DZVP-GTH
      POTENTIAL GTH-PBE-q1
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
