&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME GTH_BASIS_SETS
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    ROKS
    MULTIP 3
    &MGRID
      CUTOFF 200
    &END MGRID
    &QS
    &END QS
    &SCF
      MAX_SCF 4
      SCF_GUESS ATOMIC
      &OT
        ALGORITHM IRAC
        ORTHO_IRAC POLY
        MINIMIZER CG
        PRECONDITIONER FULL_SINGLE_INVERSE
        LINE_SEARCH 2PNT
        ROTATION
      &END OT
    &END SCF
    &XC
      &XC_FUNCTIONAL Pade
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 8.00 8.00 8.00
    &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
&GLOBAL
  PROJECT o2_ot_refine_roks
  RUN_TYPE ENERGY
  PRINT_LEVEL LOW
&END GLOBAL
