&GLOBAL
  PRINT_LEVEL LOW
  PROJECT SiO2_lr_quad
  #RUN_TYPE DEBUG
  RUN_TYPE ENERGY_FORCE
&END GLOBAL

&DEBUG
  DX 0.01
&END DEBUG

&MOTION
  &GEO_OPT
    MAX_ITER 1000
    MINIMIZER BFGS
    &BFGS
    &END BFGS
  &END GEO_OPT
&END MOTION

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    &POISSON
      &EWALD
        ALPHA .5
        EWALD_TYPE ewald
        GMAX 21
        &MULTIPOLES
          MAX_MULTIPOLE_EXPANSION QUADRUPOLE
        &END MULTIPOLES
      &END EWALD
    &END POISSON
    &QS
      METHOD MNDO
      &SE
        INTEGRAL_SCREENING KDSO-D
        PERIODIC EWALD
        &COULOMB
          CUTOFF [angstrom] 8.0
          RC_RANGE [angstrom] 0.1
        &END COULOMB
        &LR_CORRECTION
          CUTOFF [angstrom] 5.0
          RC_RANGE [angstrom] 0.1
        &END LR_CORRECTION
        &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 30
      SCF_GUESS ATOMIC
      &OT
        MINIMIZER CG
        PRECONDITIONER FULL_ALL
      &END OT
      &OUTER_SCF
        EPS_SCF 1.0E-6
        MAX_SCF 6
      &END OUTER_SCF
      &PRINT
        &RESTART OFF
        &END RESTART
      &END PRINT
    &END SCF
  &END DFT
  &PRINT
    &FORCES
    &END FORCES
  &END PRINT
  &SUBSYS
    &CELL
      ABC [angstrom] 4.91300 4.91300 5.40520
      ALPHA_BETA_GAMMA [deg] 90.00000 90.00000 120.00000
    &END CELL
    &COORD
      SCALED
      SI1    0.47010   -0.00000    0.33333
      OX1    0.41360    0.26760    0.21410
      SI1    0.00000    0.47010    0.66667
      OX1    0.73240    0.14600    0.54743
      SI1    0.52990    0.52990    0.00000
      OX1    0.85400    0.58640    0.88077
      OX1    0.26760    0.41360    0.78590
      OX1    0.14600    0.73240    0.45257
      OX1    0.58640    0.85400    0.11923
    &END COORD
    &KIND OX1
      ELEMENT O
    &END KIND
    &KIND SI1
      ELEMENT Si
    &END KIND
    &TOPOLOGY
      CONNECTIVITY OFF
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
