&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT H2-geo-ALL
  RUN_TYPE GEO_OPT
&END GLOBAL

&MOTION
  &GEO_OPT
    MAX_ITER 2
  &END GEO_OPT
&END MOTION

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME EMSL_BASIS_SETS
    POTENTIAL_FILE_NAME POTENTIAL
    &AUXILIARY_DENSITY_MATRIX_METHOD
      ADMM_PURIFICATION_METHOD MO_DIAG
      METHOD BASIS_PROJECTION
    &END AUXILIARY_DENSITY_MATRIX_METHOD
    &MGRID
      CUTOFF 150
      REL_CUTOFF 30
    &END MGRID
    &POISSON
      PERIODIC NONE
      PSOLVER MT
    &END POISSON
    &QS
      METHOD GAPW
    &END QS
    &SCF
      EPS_SCF 1.0E-6
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 10
      SCF_GUESS ATOMIC
      &OT ON
      &END OT
    &END SCF
    &XC
      &HF
        FRACTION 0.25
        &INTERACTION_POTENTIAL
          POTENTIAL_TYPE COULOMB
        &END INTERACTION_POTENTIAL
        &SCREENING
          EPS_SCHWARZ 1.0E-6
          EPS_SCHWARZ_FORCES 1.0E-6
        &END SCREENING
      &END HF
      &XC_FUNCTIONAL
        &PBE
          SCALE_C 1.0
          SCALE_X 0.75
        &END PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 8.0 8.0 8.0
      PERIODIC NONE
    &END CELL
    &COORD
      H  0.00000 0.00000 0.00000
      H  0.00000 0.00000 1.00000
    &END COORD
    &KIND H
      BASIS_SET Ahlrichs-def2-TZVP
      BASIS_SET AUX_FIT Ahlrichs-def2-SVP
      POTENTIAL ALL
    &END KIND
    &KIND C
      BASIS_SET Ahlrichs-def2-TZVP
      BASIS_SET AUX_FIT Ahlrichs-def2-SVP
      POTENTIAL ALL
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
