&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT O2
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME GTH_BASIS_SETS
    MULTIP 3
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    ROKS
    &LOW_SPIN_ROKS
      ! Singlet: E(s) = E(t) - 2*E(t) + 2*E(m) = 2*E(m) - E(t)
      ENERGY_SCALING -2.0 2.0
      SPIN_CONFIGURATION 1 1  ! (t)
      SPIN_CONFIGURATION 1 2  ! (m)
    &END LOW_SPIN_ROKS
    &MGRID
      CUTOFF 280
    &END MGRID
    &QS
    &END QS
    &SCF
      EPS_SCF 1.0E-6
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 10
      SCF_GUESS ATOMIC
      &OT
        ROTATION
      &END OT
      &OUTER_SCF
        EPS_SCF 1.0E-6
        MAX_SCF 1
      &END OUTER_SCF
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE0
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 4.0 4.0 6.0
    &END CELL
    &COORD
      O  0.000000  0.000000  0.608000
      O  0.000000  0.000000 -0.608000
    &END COORD
    &KIND O
      BASIS_SET DZVP-GTH
      POTENTIAL GTH-PADE-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
