&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT Ar_fcc_gfn1_kp_spglib_backend
  RUN_TYPE DEBUG
&END GLOBAL

&DEBUG
  DEBUG_FORCES T
  DEBUG_STRESS_TENSOR T
  DX 0.0001
  MAX_RELATIVE_ERROR 0.5
  STOP_ON_MISMATCH F
&END DEBUG

&FORCE_EVAL
  STRESS_TENSOR ANALYTICAL
  &DFT
    &KPOINTS
      FULL_GRID OFF
      SCHEME MONKHORST-PACK 2 2 2
      SYMMETRY ON
      SYMMETRY_BACKEND SPGLIB
      VERBOSE T
    &END KPOINTS
    &QS
      EPS_DEFAULT 1.00E-12
      METHOD xTB
      &XTB
        GFN_TYPE TBLITE
        &TBLITE
          METHOD GFN1
        &END TBLITE
      &END XTB
    &END QS
    &SCF
      EPS_SCF 1.e-10
      MAX_SCF 200
      SCF_GUESS MOPAC
      &MIXING
        ALPHA 0.2
        METHOD DIRECT_P_MIXING
      &END MIXING
      &PRINT
        &RESTART OFF
        &END RESTART
      &END PRINT
    &END SCF
  &END DFT
  &SUBSYS
    &CELL
      ABC 5.2600000000 5.2600000000 5.2600000000
      PERIODIC XYZ
    &END CELL
    &COORD
      SCALED
      Ar    0.113000    0.021000    0.037000
      Ar    0.486000    0.523000    0.014000
      Ar    0.517000    0.032000    0.491000
      Ar    0.029000    0.468000    0.546000
    &END COORD
  &END SUBSYS
&END FORCE_EVAL
