&GLOBAL
  PROJECT argon
  RUN_TYPE MD
  PRINT_LEVEL MEDIUM
&END GLOBAL
&FORCE_EVAL
  METHOD QS
  STRESS_TENSOR ANALYTICAL
  &DFT
    BASIS_SET_FILE_NAME ../../../data/BASIS_MOLOPT
    POTENTIAL_FILE_NAME ../../../data/POTENTIAL
    &MGRID
      CUTOFF 200
    &END MGRID
    &QS
      METHOD GPW
    &END QS
    &SCF
      SCF_GUESS ATOMIC
      MAX_SCF 2
      EPS_SCF 1.0e-4
    &END SCF
    &XC
      &XC_FUNCTIONAL
        &PBE
          PARAMETRIZATION revPBE
          SCALE_C 0.0
        &END PBE
        &VWN
        &END VWN
      &END XC_FUNCTIONAL
      &vdW_POTENTIAL
         DISPERSION_FUNCTIONAL NON_LOCAL
         &NON_LOCAL
           TYPE DRSLL
           VERBOSE_OUTPUT
           KERNEL_FILE_NAME ../../../data/vdW_kernel_table.dat
           CUTOFF  80
         &END NON_LOCAL
      &END vdW_POTENTIAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 5.3 5.3 5.3
      ALPHA_BETA_GAMMA 90 90 90
    &END CELL
    &COORD
      SCALED .TRUE.
      Ar 0.0 0.0 0.0
      Ar 0.5 0.5 0.0
      Ar 0.5 0.0 0.5
      Ar 0.0 0.5 0.5
    &END COORD
    &KIND Ar
      BASIS_SET DZVP-MOLOPT-SR-GTH-q8
      POTENTIAL GTH-PADE-q8
    &END
  &END SUBSYS
&END FORCE_EVAL
&MOTION
  &MD
    ENSEMBLE NPT_I
    STEPS 2
    TIMESTEP 0.1
    TEMPERATURE 300.0
    &THERMOSTAT
      &NOSE
      &END
    &END
    &BAROSTAT
    &END
  &END MD
&END MOTION
