&GLOBAL
  PRINT_LEVEL LOW
  PROJECT Si_gfn1_kpsym_debug
  RUN_TYPE DEBUG
&END GLOBAL

&DEBUG
  DEBUG_FORCES F
  DEBUG_STRESS_TENSOR T
  DX 0.0005
  EPS_NO_ERROR_CHECK 0.000001
  MAX_RELATIVE_ERROR 0.3
  STOP_ON_MISMATCH F
&END DEBUG

&FORCE_EVAL
  STRESS_TENSOR DIAGONAL_ANALYTICAL
  &DFT
    &KPOINTS
      EPS_SYMMETRY 1.e-8
      FULL_GRID OFF
      PARALLEL_GROUP_SIZE -1
      SCHEME MONKHORST-PACK 2 2 2
      SYMMETRY ON
      VERBOSE T
    &END KPOINTS
    &POISSON
      PERIODIC XYZ
      POISSON_SOLVER PERIODIC
      &EWALD
        ALPHA 0.35
        EWALD_TYPE SPME
        GMAX 50
      &END EWALD
    &END POISSON
    &QS
      METHOD xTB
      &XTB
        GFN_TYPE 1
      &END XTB
    &END QS
    &SCF
      ADDED_MOS 100
      EPS_SCF 1.e-6
      MAX_SCF 100
      SCF_GUESS MOPAC
      &MIXING
        ALPHA 0.40
        METHOD BROYDEN_MIXING
        NBUFFER 10
      &END MIXING
      &PRINT
        &RESTART OFF
        &END RESTART
      &END PRINT
      &SMEAR
        ELECTRONIC_TEMPERATURE 1000
        METHOD FERMI_DIRAC
      &END SMEAR
    &END SCF
  &END DFT
  &SUBSYS
    &CELL
      ABC 5.431 5.431 5.431
    &END CELL
    &COORD
      SCALED
      Si     0.000000    0.000000    0.000000
      Si     0.500000    0.500000    0.000000
      Si     0.500000    0.000000    0.500000
      Si     0.000000    0.500000    0.500000
      Si     0.250000    0.250000    0.250000
      Si     0.250000    0.750000    0.750000
      Si     0.750000    0.250000    0.750000
      Si     0.750000    0.750000    0.250000
    &END COORD
  &END SUBSYS
&END FORCE_EVAL
