&GLOBAL                                                                                           
  PROJECT  H2O_NO_HFX
  PRINT_LEVEL MEDIUM
  RUN_TYPE ENERGY
  &TIMINGS
     THRESHOLD 0.01
  &END
&END GLOBAL
&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME  ../../../data/HFX_BASIS
    POTENTIAL_FILE_NAME  ../../../data/POTENTIAL
    &MGRID
      CUTOFF  200
      REL_CUTOFF  30
    &END MGRID
    &POISSON
      PERIODIC NONE
      POISSON_SOLVER WAVELET
    &END POISSON
    &QS
      METHOD GPW
      EPS_DEFAULT 1.0E-15
      EPS_PGF_ORB 1.0E-30
    &END QS
    &SCF
      SCF_GUESS RESTART
      EPS_SCF 1.0E-6
      MAX_SCF 6
    &END SCF
    &XC
      ! No HFX.... yet MP2
      &XC_FUNCTIONAL 
        &BECKE88
        &END
      &END XC_FUNCTIONAL
      &WF_CORRELATION
        METHOD  MP2_GPW
        &WFC_GPW
          CUTOFF  200
          REL_CUTOFF 30
        &END
        MEMORY  100.
        NUMBER_PROC  1
      &END
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC [angstrom]  7.0000   7.0000   7.0000
      PERIODIC NONE
    &END CELL
    &KIND H
      BASIS_SET  DZVP-GTH
      POTENTIAL  GTH-HF-q1
    &END KIND
    &KIND O
      BASIS_SET  DZVP-GTH
      POTENTIAL  GTH-HF-q6
    &END KIND
    &COORD
      O       0.000000    0.000000    -0.111000
      H       0.000000   -0.744000     0.495000
      H       0.000000    0.744000     0.495000
    &END
    &TOPOLOGY
      &CENTER_COORDINATES
      &END
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL

