&FORCE_EVAL
  METHOD Quickstep
  &PROPERTIES
   &TDDFPT
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
    NSTATES 5
    MAX_ITER 100
    CONVERGENCE [eV] 1.0e-7
    KERNEL FULL
    DO_LRIGPW T
    &LRIGPW
     SHG_LRI_INTEGRALS F
     EXACT_1C_TERMS F
    # RI_STATISTIC T
    # LRI_OVERLAP_MATRIX PSEUDO_INVERSE_SVD
    &END
    RKS_TRIPLETS F
   # &PRINT
   #  &BASIS_SET_FILE DEBUG
   #   FILENAME basissets_for_tddfpt
   #  &END BASIS_SET_FILE
   # &END PRINT
   &END TDDFPT
  &END
  &DFT
    BASIS_SET_FILE_NAME  BASIS_LRIGPW_AUXMOLOPT
    BASIS_SET_FILE_NAME  BASIS_MOLOPT
    &QS
      METHOD GPW
      EPS_DEFAULT 1.e-10
    &END QS
    &SCF
      SCF_GUESS ATOMIC 
      &OT
         PRECONDITIONER FULL_SINGLE_INVERSE
         MINIMIZER DIIS
      &END
      &OUTER_SCF
         MAX_SCF  10
         EPS_SCF 1.0E-7
      &END
      MAX_SCF  10
      EPS_SCF 1.0E-7
    &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
  &SUBSYS
    &CELL
      ABC [angstrom] 6.0 6.0 6.0
      PERIODIC NONE
    &END
    &COORD
    O   0.000000    0.000000   -0.065587
    H   0.000000   -0.757136    0.520545
    H   0.000000    0.757136    0.520545
    &END COORD
    &TOPOLOGY
     &CENTER_COORDINATES
     &END
    &END
    &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
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT h2o
  RUN_TYPE ENERGY
&END GLOBAL
