@SET NREP 1
&FORCE_EVAL
  STRESS_TENSOR ANALYTICAL
  &DFT
    &QS
      METHOD DFTB
      &DFTB
        HB_SR_GAMMA        T
        SELF_CONSISTENT    T
        DO_EWALD           T
        DISPERSION         T
        DIAGONAL_DFTB3     T
        &PARAMETER
          HB_SR_PARAM      4.0
          PARAM_FILE_PATH  DFTB/scc
          PARAM_FILE_NAME  scc_parameter
          UFF_FORCE_FIELD  ../uff_table
        &END PARAMETER
      &END DFTB
    &END QS
    &KPOINTS
       SCHEME NONE
    &END
    &SCF
      SCF_GUESS MOPAC
      EPS_SCF  1.e-7
      &MIXING
          METHOD DIRECT_P_MIXING
          ALPHA   0.4
      &END
      MAX_SCF  100
      &PRINT
        &RESTART OFF
        &END
        &RESTART_HISTORY OFF
        &END
      &END
    &END SCF
    &POISSON
      &EWALD
       ALPHA 2.0
       EWALD_TYPE SPME
       GMAX 25
       O_SPLINE 5
      &END EWALD
    &END POISSON
  &END DFT
  &SUBSYS
    &TOPOLOGY
      MULTIPLE_UNIT_CELL ${NREP} ${NREP} ${NREP}
    &END
    &CELL
      ABC 4.0 4.0 4.0
      MULTIPLE_UNIT_CELL ${NREP} ${NREP} ${NREP}
    &END CELL
    &COORD
    O                  -4.583   5.333   1.560   H2O
    H                  -3.777   5.331   0.943   H2O
    H                  -5.081   4.589   1.176   H2O
    &END COORD
    &KIND O
       DFTB3_PARAM   -0.14
    &END
    &KIND H
       DFTB3_PARAM   -0.05
    &END
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT base
  RUN_TYPE DEBUG
  PRINT_LEVEL LOW
&END GLOBAL
&DEBUG
   DEBUG_FORCES T
   DEBUG_STRESS_TENSOR F
   DX 0.002
   EPS_NO_ERROR_CHECK  0.000001
   STOP_ON_MISMATCH T
&END DEBUG
