&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME ../../../data/BASIS_MOLOPT
    POTENTIAL_FILE_NAME KG_POTENTIAL
    &MGRID
      CUTOFF 100
      &RS_GRID
         MAX_DISTRIBUTED_LEVEL 5
      &END
      SKIP_LOAD_BALANCE_DISTRIBUTED
    &END MGRID
    &QS
      EPS_DEFAULT 5.8E-9
      LS_SCF
      KG_METHOD
    &END QS
    &KG_METHOD
      TNADD_METHOD  ATOMIC
    &END KG_METHOD
    &LS_SCF
      MAX_SCF     40
      EPS_FILTER  1.0E-6
      EPS_SCF     1.0E-7
      MU         -0.1
      PURIFICATION_METHOD TRS4
    &END
    &SCF
      EPS_SCF 1.0E-8
      SCF_GUESS ATOMIC 
    &END
    &XC
      &XC_FUNCTIONAL
        &PBE
        &END
      &END
    &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
      POTENTIAL GTH-PBE-q1
      KG_POTENTIAL TNADD-PBE
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&MOTION
  &MD
    TEMPERATURE 300
    STEPS 3 
    &PRINT
      &ENERGY
        &EACH
          MD 1
        &END
      &END
    &END
  &END
&END
&GLOBAL
  PROJECT H2
  RUN_TYPE MD 
  PRINT_LEVEL MEDIUM
  EXTENDED_FFT_LENGTHS
&END GLOBAL
