&GLOBAL
  PRINT_LEVEL LOW
  PROJECT dftd3_t11
  RUN_TYPE CELL_OPT
&END GLOBAL

&MOTION
  &CELL_OPT
    EXTERNAL_PRESSURE [bar] 1.0
    KEEP_ANGLES
    MAX_DR 0.02
    MAX_FORCE 0.0002
    MAX_ITER 2
    OPTIMIZER CG
    RMS_DR 0.01
    RMS_FORCE 0.0001
    &CG
      &LINE_SEARCH
        TYPE 2PNT
        &2PNT
        &END 2PNT
      &END LINE_SEARCH
    &END CG
  &END CELL_OPT
  &GEO_OPT
    MAX_ITER 3
    MINIMIZER BFGS
  &END GEO_OPT
  &PRINT
    &RESTART
      &EACH
        CELL_OPT 1
      &END EACH
    &END RESTART
  &END PRINT
&END MOTION

&FORCE_EVAL
  METHOD QS
  STRESS_TENSOR ANALYTICAL
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 100
    &END MGRID
    &QS
      METHOD GPW
    &END QS
    &SCF
      EPS_SCF 1.0e-5
      MAX_SCF 100
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &VDW_POTENTIAL
        DISPERSION_FUNCTIONAL PAIR_POTENTIAL
        &PAIR_POTENTIAL
          CALCULATE_C9_TERM .TRUE.
          D3_REFERENCE_CODE
          EPS_CN 0.01
          LONG_RANGE_CORRECTION .TRUE.
          PARAMETER_FILE_NAME dftd3.dat
          REFERENCE_C9_TERM .TRUE.
          REFERENCE_FUNCTIONAL PBE
          R_CUTOFF 8.
          TYPE DFTD3(BJ)
        &END PAIR_POTENTIAL
      &END VDW_POTENTIAL
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 8.30 8.30 8.30
    &END CELL
    &COORD
      SCALED
      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 SZV-MOLOPT-SR-GTH
      POTENTIAL GTH-PBE-q8
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
