&GLOBAL                                                                                           
  PROJECT     opt_basis_O_ext_init
  PRINT_LEVEL LOW
  RUN_TYPE    ENERGY
&END GLOBAL
&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME  ../../../data/HFX_BASIS
    POTENTIAL_FILE_NAME  ../../../data/POTENTIAL
    &MGRID
      CUTOFF     200
      REL_CUTOFF  50
    &END MGRID
    &POISSON
      PERIODIC        NONE
      POISSON_SOLVER  WAVELET
    &END POISSON
    &QS
      METHOD GPW
      EPS_DEFAULT 1.0E-15
      EPS_PGF_ORB 1.0E-30
    &END QS
    &SCF
      SCF_GUESS ATOMIC
      EPS_SCF   1.0E-6
      MAX_SCF   20
      &OT
        MINIMIZER       CG
        PRECONDITIONER  FULL_SINGLE_INVERSE
      &END
      &OUTER_SCF
        EPS_SCF  1.0E-6
        MAX_SCF  20
      &END
      &PRINT
        &RESTART OFF
        &END
      &END
    &END SCF
    &XC
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
      &HF
        FRACTION 1.0000000
        &SCREENING
          EPS_SCHWARZ         1.0E-8
          SCREEN_ON_INITIAL_P FALSE 
        &END SCREENING
      &END HF
      &WF_CORRELATION
        METHOD  OPTIMIZE_RI_BASIS
        &OPT_RI_BASIS
          DELTA_I_REL  1.0E-6
          DELTA_RI     5.0E-5
          EPS_DERIV    1.0E-2
          MAX_ITER     100
        &END
        NUMBER_PROC  1
      &END
    &END XC
    UKS
    MULTIPLICITY  3
  &END DFT
  &SUBSYS
    &CELL
      ABC [angstrom]  8.000   8.000  8.000
      PERIODIC NONE
    &END CELL
    &KIND O
      BASIS_SET         DZVP-GTH
      RI_AUX_BASIS_SET  RI_DZ_init
      POTENTIAL         GTH-HF-q6
    &END KIND
    &COORD
      O  0.0000   0.0000   0.0000
    &END COORD
    &TOPOLOGY
      &CENTER_COORDINATES
      &END
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
