&FORCE_EVAL
  METHOD Quickstep
  &DFT
    &QS
      METHOD PM6
      &SE
        INTEGRAL_SCREENING KDSO-D
        PERIODIC EWALD
        &COULOMB
          CUTOFF   [angstrom]      6.0
          RC_RANGE [angstrom]      0.1
        &END
        &SCREENING
          RC_TAPER [angstrom]      3.0
          RC_RANGE [angstrom]      0.1
        &END
        &LR_CORRECTION
          CUTOFF   [angstrom]      3.0
          RC_RANGE [angstrom]      0.1
        &END
        &PRINT
          &EWALD_INFO
          &END
        &END
      &END
    &END QS
    &SCF
      MAX_SCF 2
      EPS_SCF 1.0E-6
      SCF_GUESS ATOMIC
      &OT
        MINIMIZER DIIS
        PRECONDITIONER FULL_SINGLE_INVERSE
        N_DIIS 9
      &END
      &PRINT
         &RESTART OFF
         &END
      &END
    &END SCF
    &POISSON
      &EWALD
        &MULTIPOLES
          MAX_MULTIPOLE_EXPANSION QUADRUPOLE
        &END
        EWALD_TYPE ewald
        ALPHA  .5
        GMAX   31
      &END EWALD
    &END
  &END DFT
  &SUBSYS
    &CELL
      ABC [angstrom] 4.75900    4.75900   12.99100
      ALPHA_BETA_GAMMA [deg]  90.00000   90.00000  120.00000
    &END
    &TOPOLOGY
      CONNECTIVITY OFF
      COORDINATE XTL
      COORD_FILE_NAME ../sample_xtl/al2o3-aloxite.xtl
      &DUMP_PDB
      &END
      &DUMP_PSF
      &END
    &END
    &PRINT
      &CELL
        UNIT angstrom
      &END
      &TOPOLOGY_INFO
        XTL_INFO
      &END
      &KINDS
        BASIS_SET
        POTENTIAL
      &END KINDS
    &END PRINT
  &END SUBSYS
  &PRINT
    &FORCES
    &END
  &END
&END FORCE_EVAL
&GLOBAL
  PROJECT Al2O3
  PRINT_LEVEL LOW
  RUN_TYPE ENERGY_FORCE
&END GLOBAL
&MOTION
  &GEO_OPT
    MINIMIZER BFGS
    MAX_ITER 1000
    &BFGS
    &END
  &END
&END
&DEBUG
  DX 0.01
&END
