&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT H2-KG-1-GAPW
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    POTENTIAL_FILE_NAME KG_POTENTIAL
    &KG_METHOD
      TNADD_METHOD ATOMIC
    &END KG_METHOD
    &LS_SCF
      EPS_FILTER 1.0E-6
      EPS_SCF 1.0E-7
      MAX_SCF 40
      MU -0.1
      PURIFICATION_METHOD TRS4
    &END LS_SCF
    &MGRID
      CUTOFF 100
      SKIP_LOAD_BALANCE_DISTRIBUTED
      &RS_GRID
        MAX_DISTRIBUTED_LEVEL 5
      &END RS_GRID
    &END MGRID
    &QS
      EPS_DEFAULT 5.8E-9
      GAPW_1C_BASIS EXT_SMALL
      GAPW_ACCURATE_XCINT T
      KG_METHOD
      LS_SCF
      METHOD GAPW
    &END QS
    &SCF
      EPS_SCF 1.0E-8
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &XC_FUNCTIONAL
        &PBE
        &END PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 9.0 9.0 9.0
    &END CELL
    &COORD
      H 0.0 0.0 8.0 H2_1
      H 0.8 0.0 8.0 H2_1
      H 0.0 0.0 4.0 H2_2
      H 0.8 0.0 4.0 H2_2
      H 0.0 0.0 0.0 H2_3
      H 0.8 0.0 0.0 H2_3
    &END COORD
    &KIND H
      BASIS_SET SZV-MOLOPT-GTH
      KG_POTENTIAL TNADD-PBE
      POTENTIAL GTH-PBE-q1
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
