&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT h2o
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_LRIGPW_AUXMOLOPT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    &QS
      EPS_DEFAULT 1.e-10
      METHOD GPW
    &END QS
    &SCF
      EPS_SCF 1.0E-7
      MAX_SCF 10
      SCF_GUESS ATOMIC
      &OT
        MINIMIZER DIIS
        PRECONDITIONER FULL_SINGLE_INVERSE
      &END OT
      &OUTER_SCF
        EPS_SCF 1.0E-7
        MAX_SCF 10
      &END OUTER_SCF
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
    #   &PRINT
    #    &NEIGHBOR_LISTS HIGH
    #     SOO_LIST T
    #    &END NEIGHBOR_LISTS
    #    &BASIS_SET_FILE DEBUG
    #     FILENAME basissets_for_gs_lri
    #    &END BASIS_SET_FILE
    #   &END
  &END DFT
  &PROPERTIES
    &TDDFPT
      CONVERGENCE [eV] 1.0e-7
      DO_LRIGPW T
      KERNEL FULL
      MAX_ITER 100
      NSTATES 5
      RKS_TRIPLETS F
      &LRIGPW
        EXACT_1C_TERMS F
        SHG_LRI_INTEGRALS F
        # RI_STATISTIC T
        # LRI_OVERLAP_MATRIX PSEUDO_INVERSE_SVD
      &END LRIGPW
      &XC
        &XC_FUNCTIONAL PBE
        &END XC_FUNCTIONAL
      &END XC
      # &PRINT
      #  &BASIS_SET_FILE DEBUG
      #   FILENAME basissets_for_tddfpt
      #  &END BASIS_SET_FILE
      # &END PRINT
    &END TDDFPT
  &END PROPERTIES
  &SUBSYS
    &CELL
      ABC [angstrom] 6.0 6.0 6.0
      PERIODIC NONE
    &END CELL
    &COORD
      O   0.000000    0.000000   -0.065587
      H   0.000000   -0.757136    0.520545
      H   0.000000    0.757136    0.520545
    &END COORD
    &KIND H
      BASIS_SET DZVP-MOLOPT-GTH
      BASIS_SET P_LRI_AUX LRI-DZVP-MOLOPT-GTH-MEDIUM
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-MOLOPT-GTH
      BASIS_SET P_LRI_AUX LRI-DZVP-MOLOPT-GTH-MEDIUM
      POTENTIAL GTH-PADE-q6
    &END KIND
    &TOPOLOGY
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
