&GLOBAL
  PROJECT dftd3_t7
  PRINT_LEVEL LOW
  RUN_TYPE CELL_OPT
&END GLOBAL
&MOTION
  &CELL_OPT
    TYPE GEO_OPT
    OPTIMIZER CG
    MAX_ITER 2
    EXTERNAL_PRESSURE [bar] 1.0
    MAX_DR 0.02
    RMS_DR 0.01
    MAX_FORCE 0.0002
    RMS_FORCE 0.0001
    KEEP_ANGLES
    &CG
      &LINE_SEARCH
        TYPE 2PNT
        &2PNT
        &END
      &END
    &END
  &END
  &GEO_OPT
    MAX_ITER 3
    MINIMIZER BFGS
  &END
  &PRINT
    &RESTART
      &EACH
        CELL_OPT 1
      &END
    &END
  &END
&END
&FORCE_EVAL
  METHOD QS
  STRESS_TENSOR ANALYTICAL
  &DFT
    BASIS_SET_FILE_NAME ../../../data/BASIS_MOLOPT
    POTENTIAL_FILE_NAME ../../../data/POTENTIAL
    &MGRID
      CUTOFF 100
    &END MGRID
    &QS
      METHOD GPW
    &END QS
    &SCF
      SCF_GUESS ATOMIC
      MAX_SCF 100
      EPS_SCF 1.0e-5
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE 
      &END XC_FUNCTIONAL
      &vdW_POTENTIAL
         DISPERSION_FUNCTIONAL PAIR_POTENTIAL
         &PAIR_POTENTIAL
            TYPE DFTD3
            CALCULATE_C9_TERM .TRUE.
            PARAMETER_FILE_NAME ../../../data/dftd3.dat
            REFERENCE_FUNCTIONAL PBE
            R_CUTOFF 8.
            EPS_CN 0.01
         &END PAIR_POTENTIAL
      &END vdW_POTENTIAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 8.30 8.30 8.30
    &END
    &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
  &END SUBSYS
&END
