#CPQA INCLUDE DFTB/nonscc/nonscc_parameter
#CPQA INCLUDE DFTB/nonscc/sisi-d
#CPQA INCLUDE uff_table
@SET NREP 1
&FORCE_EVAL
  &DFT
    &QS
      METHOD DFTB
      &DFTB
        SELF_CONSISTENT    F
        DISPERSION         T
        ORTHOGONAL_BASIS   F
        &PARAMETER
          PARAM_FILE_PATH  DFTB/nonscc
          PARAM_FILE_NAME  nonscc_parameter
          SK_FILE  Si  Si   sisi-d
          UFF_FORCE_FIELD  ../uff_table
        &END PARAMETER
      &END DFTB
      EXTRAPOLATION USE_GUESS
    &END QS
    &SCF
      SCF_GUESS NONE
      &MIXING
          METHOD DIRECT_P_MIXING
          ALPHA   1.
      &END
    &END SCF
    &KPOINTS
       SCHEME  MONKHORST-PACK  2 2 2
       SYMMETRY ON
       EPS_GEO 1.e-8
       FULL_GRID ON
       VERBOSE F
    &END KPOINTS
  &END DFT
  &SUBSYS
    &TOPOLOGY
      MULTIPLE_UNIT_CELL ${NREP} ${NREP} ${NREP}
    &END
    &CELL
      ABC 5.431 5.431 5.431
      MULTIPLE_UNIT_CELL ${NREP} ${NREP} ${NREP}
    &END CELL
    &COORD
     SCALED
     Si     0.010000    0.020000    0.030000
     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
  STRESS_TENSOR ANALYTICAL
&END FORCE_EVAL
&GLOBAL
  PROJECT Si
  PRINT_LEVEL low
  RUN_TYPE DEBUG
&END GLOBAL
&DEBUG
   DEBUG_FORCES          T
   DEBUG_STRESS_TENSOR   F
   STOP_ON_MISMATCH      T
   DX                1.0e-3
&END DEBUG

