&GLOBAL
  PROJECT H2O_lrigpw_molopt
  RUN_TYPE ENERGY
  PRINT_LEVEL LOW
&END GLOBAL
&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    BASIS_SET_FILE_NAME BASIS_LRIGPW_AUXMOLOPT
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF      300
      REL_CUTOFF   40
    &END MGRID
    &POISSON
       PERIODIC NONE
       POISSON_SOLVER MT
    &END
    &QS
     METHOD LRIGPW
     &LRIGPW
         EPS_O3_INT   1.e-10
         EXACT_1C_TERMS   T
         DISTANT_PAIR_APPROXIMATION  T
         DISTANT_PAIR_METHOD         LW
         DISTANT_PAIR_RADII     6.0 12.0
     &END
    &END QS
    &SCF
      SCF_GUESS ATOMIC
      MAX_SCF 3
      EPS_SCF 1.0E-6
      &DIAGONALIZATION
      &END
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 10.0 10.0 10.0
      PERIODIC NONE
    &END CELL
    &COORD
O   -1.41   1.41   1.34
H   -0.46   1.55   1.53
H   -1.55   0.46   1.53
O   -1.41   6.41   1.34
H   -0.46   6.55   1.53
H   -1.55   5.46   1.53
    &END COORD
    &TOPOLOGY
     &CENTER_COORDINATES
     &END
    &END
    &KIND H
      BASIS_SET ORB DZVP-MOLOPT-GTH
      POTENTIAL GTH-PBE-q1
      BASIS_SET LRI_AUX LRI-DZVP-MOLOPT-GTH-MEDIUM
    &END KIND
    &KIND O
      BASIS_SET ORB DZVP-MOLOPT-GTH
      POTENTIAL GTH-PBE-q6
      BASIS_SET LRI_AUX LRI-DZVP-MOLOPT-GTH-MEDIUM
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
