&GLOBAL
  PROJECT H2O-MNDO-KDSOd
  RUN_TYPE DEBUG
&END GLOBAL

&DEBUG
&END DEBUG

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    &QS
      METHOD MNDO
      &SE
        INTEGRAL_SCREENING KDSO-D
        &COULOMB
          CUTOFF [angstrom] 6.0
          RC_RANGE [angstrom] 0.1
        &END COULOMB
        &EXCHANGE
          CUTOFF [angstrom] 6.0
          RC_RANGE [angstrom] 0.1
          RC_TAPER [angstrom] 6.0
        &END EXCHANGE
        &PRINT
          &EWALD_INFO
          &END EWALD_INFO
        &END PRINT
        &SCREENING
          RC_RANGE [angstrom] 0.1
          RC_TAPER [angstrom] 6.0
        &END SCREENING
      &END SE
    &END QS
    &SCF
      EPS_SCF 1.0E-6
      MAX_SCF 40
      SCF_GUESS MOPAC
      &OT
        MINIMIZER DIIS
        PRECONDITIONER FULL_SINGLE_INVERSE
      &END OT
      &OUTER_SCF
        EPS_SCF 1.0E-6
        MAX_SCF 5
      &END OUTER_SCF
      &PRINT
        &RESTART OFF
        &END RESTART
      &END PRINT
    &END SCF
  &END DFT
  &SUBSYS
    &CELL
      ABC [angstrom] 10.0 10.0 10.0
      PERIODIC NONE
    &END CELL
    &COORD
      O   0.000000    0.000000    0.0
      H   0.000000   -0.757136    0.520545
      H   0.000000    0.757136    0.520545
    &END COORD
  &END SUBSYS
&END FORCE_EVAL
