&GLOBAL                                                                                           
  PROJECT     GRAD_H2_gpw
  PRINT_LEVEL LOW
  RUN_TYPE    GEO_OPT
&END GLOBAL
&MOTION
  &GEO_OPT
    MAX_ITER  1
  &END
&END MOTION
&FORCE_EVAL
  &PRINT
    &FORCES
    &END
  &END
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME  ../../../data/HFX_BASIS
    POTENTIAL_FILE_NAME  ../../../data/POTENTIAL
    &MGRID
      CUTOFF     150
      REL_CUTOFF  20
    &END MGRID
    &QS
      METHOD GPW
      EPS_DEFAULT 1.0E-15
      EPS_PGF_ORB 1.0E-30
    &END QS
    &SCF
      SCF_GUESS ATOMIC
      EPS_SCF 1.0E-6
      MAX_SCF 100
    &END SCF
    &XC
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
      &HF
        FRACTION 1.0000000
        &SCREENING
          EPS_SCHWARZ         1.0E-9
          EPS_SCHWARZ_FORCES  1.0E-3
          SCREEN_ON_INITIAL_P FALSE 
        &END SCREENING
      &END HF
      &WF_CORRELATION
        METHOD  RI_MP2_GPW
        &RI_MP2
          EPS_CANONICAL  0.00001
          FREE_HFX_BUFFER .FALSE.
        &END
        &CPHF
          EPS_CONV  1.0E-6
          MAX_ITER  50
        &END
        &WFC_GPW
          CUTOFF    100
          REL_CUTOFF 20
        &END
        MEMORY  1000.0
        NUMBER_PROC  1
      &END
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC [angstrom]  4.000   4.000   8.000
      PERIODIC NONE
    &END CELL
    &KIND H
      BASIS_SET         DZVP-GTH
      RI_AUX_BASIS_SET  RI_DZVP-GTH
      POTENTIAL         GTH-HF-q1
    &END KIND
    &COORD
      H       0.000000    0.000000     1.000000
      H       0.000000    0.000000     1.740000
      H       0.000000    0.000000     6.260000
      H       0.000000    0.000000     7.000000
    &END
    &TOPOLOGY
      &CENTER_COORDINATES
      &END
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
