@SET NREP 1
&FORCE_EVAL
  STRESS_TENSOR ANALYTICAL
  &DFT
    &KPOINTS
      SCHEME MONKHORST-PACK 2 2 2
    &END KPOINTS
    &POISSON
      &EWALD
        ALPHA 5.0
        EWALD_TYPE SPME
        GMAX 50
        O_SPLINE 5
      &END EWALD
    &END POISSON
    &QS
      METHOD DFTB
      &DFTB
        DIAGONAL_DFTB3 T
        DISPERSION T
        DO_EWALD T
        HB_SR_GAMMA T
        SELF_CONSISTENT T
        &PARAMETER
          HB_SR_PARAM 4.0
          PARAM_FILE_NAME scc_parameter
          PARAM_FILE_PATH DFTB/scc
          UFF_FORCE_FIELD ../uff_table
        &END PARAMETER
      &END DFTB
    &END QS
    &SCF
      EPS_SCF 1.e-6
      MAX_SCF 200
      SCF_GUESS MOPAC
      &MIXING
        ALPHA 0.4
        METHOD DIRECT_P_MIXING
      &END MIXING
      &PRINT
        &RESTART OFF
        &END RESTART
        &RESTART_HISTORY OFF
        &END RESTART_HISTORY
      &END PRINT
    &END SCF
  &END DFT
  &SUBSYS
    &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
    &KIND H
      DFTB3_PARAM -0.05
    &END KIND
    &TOPOLOGY
      MULTIPLE_UNIT_CELL ${NREP} ${NREP} ${NREP}
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL

&GLOBAL
  PRINT_LEVEL LOW
  PROJECT base
  RUN_TYPE DEBUG
&END GLOBAL

&DEBUG
  DEBUG_FORCES F
  DEBUG_STRESS_TENSOR T
  DX 0.001
  EPS_NO_ERROR_CHECK 0.000001
  STOP_ON_MISMATCH T
&END DEBUG
