&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT H2
  RUN_TYPE MD
  ! EXTENDED_FFT_LENGTHS ! enable for large systems and FFTW
&END GLOBAL

&MOTION
  &MD
    STEPS 3
    TEMPERATURE 300
    &PRINT
      &ENERGY
        &EACH
          MD 1
        &END EACH
      &END ENERGY
    &END PRINT
  &END MD
&END MOTION

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    &KG_METHOD
      TNADD_METHOD NONE
    &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
      KG_METHOD
      LS_SCF
    &END QS
    &SCF
      EPS_SCF 1.0E-8
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &XC_FUNCTIONAL
        &PADE
        &END PADE
      &END XC_FUNCTIONAL
      &XC_GRID
        XC_DERIV SPLINE2
      &END XC_GRID
    &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-PADE-q1
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
