&GLOBAL
  PROJECT LM-KSDO
  RUN_TYPE GEO_OPT
&END GLOBAL

&MOTION
  &GEO_OPT
    MINIMIZER BFGS
    &BFGS
    &END BFGS
  &END GEO_OPT
&END MOTION

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    &QS
      METHOD MNDO
      &SE
        INTEGRAL_SCREENING KDSO
        &COULOMB
          CUTOFF [angstrom] 50.0
          RC_RANGE [angstrom] 0.1
        &END COULOMB
        &EXCHANGE
          CUTOFF [angstrom] 50.0
          RC_RANGE [angstrom] 0.1
        &END EXCHANGE
        &PRINT
          &EWALD_INFO
          &END EWALD_INFO
        &END PRINT
      &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] 50.0 50.0 50.0
      PERIODIC NONE
    &END CELL
    &TOPOLOGY
      CONNECTIVITY OFF
      COORDINATE XYZ
      COORD_FILE_NAME ../sample_xyz/long_mol.xyz
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
