&GLOBAL
  PRINT_LEVEL LOW
  PROJECT H2O_lrigpw_molopt
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    BASIS_SET_FILE_NAME BASIS_LRIGPW_AUXMOLOPT
    LSD
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 300
      REL_CUTOFF 40
    &END MGRID
    &QS
      METHOD LRIGPW
      &LRIGPW
        DISTANT_PAIR_APPROXIMATION T
        DISTANT_PAIR_METHOD LW
        DISTANT_PAIR_RADII 6.0 12.0
        EPS_O3_INT 1.e-10
        EXACT_1C_TERMS T
      &END LRIGPW
    &END QS
    &SCF
      EPS_SCF 1.0E-6
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 3
      SCF_GUESS ATOMIC
      &DIAGONALIZATION
      &END DIAGONALIZATION
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 10.0 10.0 10.0
    &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
    &KIND H
      BASIS_SET ORB DZVP-MOLOPT-GTH
      BASIS_SET LRI_AUX LRI-DZVP-MOLOPT-GTH-MEDIUM
      POTENTIAL GTH-PBE-q1
    &END KIND
    &KIND O
      BASIS_SET ORB DZVP-MOLOPT-GTH
      BASIS_SET LRI_AUX LRI-DZVP-MOLOPT-GTH-MEDIUM
      POTENTIAL GTH-PBE-q6
    &END KIND
    &TOPOLOGY
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
