&GLOBAL
  PRINT_LEVEL LOW
  PROJECT w3-filter
  RUN_TYPE md
&END GLOBAL

&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 2
    TEMPERATURE 300.0
    TIMESTEP 0.5
  &END MD
&END MOTION

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME GTH_BASIS_SETS
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    &MGRID
      CUTOFF 50
    &END MGRID
    &QS
      EPS_FILTER_MATRIX 1E-100
    &END QS
    &SCF
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 5
      &OT
        ALGORITHM IRAC
        MINIMIZER DIIS
        PRECONDITIONER FULL_ALL
      &END OT
    &END SCF
    &XC
      &XC_FUNCTIONAL PADE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 8 6 6
    &END CELL
    &COORD
      O    0.000000    0.000000    0.119173
      H    0.000000    0.759392   -0.476691
      H    0.000000   -0.759392   -0.476691
      O    4.000000    0.000000    0.119173
      H    4.000000    0.759392   -0.476691
      H    4.000000   -0.759392   -0.476691
      O    6.000000    0.000000    0.119173
      H    6.000000    0.759392   -0.476691
      H    6.000000   -0.759392   -0.476691
    &END COORD
    &KIND H
      BASIS_SET dZVp-GTH
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND O
      BASIS_SET dZVp-GTH
      POTENTIAL GTH-PADE-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
