&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT H2O_NO_HFX
  RUN_TYPE ENERGY
  &TIMINGS
    THRESHOLD 0.01
  &END TIMINGS
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME HFX_BASIS
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 200
      REL_CUTOFF 30
    &END MGRID
    &POISSON
      PERIODIC NONE
      POISSON_SOLVER WAVELET
    &END POISSON
    &QS
      EPS_DEFAULT 1.0E-15
      EPS_PGF_ORB 1.0E-30
      METHOD GPW
    &END QS
    &SCF
      EPS_SCF 0.0008
      MAX_SCF 6
      SCF_GUESS RESTART
    &END SCF
    &XC
      &WF_CORRELATION
        MEMORY 100.
        NUMBER_PROC 1
        &INTEGRALS
          &WFC_GPW
            CUTOFF 200
            REL_CUTOFF 30
          &END WFC_GPW
        &END INTEGRALS
        &MP2
          METHOD MP2_GPW
        &END MP2
      &END WF_CORRELATION
      ! No HFX.... yet MP2
      &XC_FUNCTIONAL
        &BECKE88
        &END BECKE88
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC [angstrom] 7.0000 7.0000 7.0000
      PERIODIC NONE
    &END CELL
    &COORD
      O       0.000000    0.000000    -0.111000
      H       0.000000   -0.744000     0.495000
      H       0.000000    0.744000     0.495000
    &END COORD
    &KIND H
      BASIS_SET DZVP-GTH
      POTENTIAL GTH-HF-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH
      POTENTIAL GTH-HF-q6
    &END KIND
    &TOPOLOGY
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
