&GLOBAL
  PRINT_LEVEL LOW
  PROJECT GRAD_H2_gpw
  RUN_TYPE GEO_OPT
&END GLOBAL

&MOTION
  &GEO_OPT
    MAX_ITER 1
  &END GEO_OPT
&END MOTION

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME HFX_BASIS
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 150
      REL_CUTOFF 20
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-15
      EPS_PGF_ORB 1.0E-30
      METHOD GPW
    &END QS
    &SCF
      EPS_SCF 1.0E-6
      MAX_SCF 100
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &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
        MEMORY 1000.0
        NUMBER_PROC 1
        &CANONICAL_GRADIENTS
          EPS_CANONICAL 0.00001
          FREE_HFX_BUFFER .FALSE.
          &CPHF
            EPS_CONV 1.0E-6
            MAX_ITER 50
          &END CPHF
        &END CANONICAL_GRADIENTS
        &INTEGRALS
          &WFC_GPW
            CUTOFF 100
            REL_CUTOFF 20
          &END WFC_GPW
        &END INTEGRALS
        &RI_MP2
        &END RI_MP2
      &END WF_CORRELATION
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &PRINT
    &FORCES
    &END FORCES
  &END PRINT
  &SUBSYS
    &CELL
      ABC [angstrom] 4.000 4.000 8.000
      PERIODIC NONE
    &END CELL
    &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 COORD
    &KIND H
      BASIS_SET DZVP-GTH
      BASIS_SET RI_AUX RI_DZVP-GTH
      POTENTIAL GTH-HF-q1
    &END KIND
    &TOPOLOGY
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
