&GLOBAL
  FLUSH_SHOULD_FLUSH
  PRINT_LEVEL MEDIUM
  PROJECT si8_lsd_broy_wc_list
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD QS
  &DFT
    LSD
    &LOCALIZE
      EPS_LOCALIZATION 1.0E-10
      LIST 3 4 5 6 7 8 9
      MAX_ITER 30
      METHOD L1SD
      &PRINT
        &LOC_RESTART
        &END LOC_RESTART
        &WANNIER_CENTERS
        &END WANNIER_CENTERS
      &END PRINT
    &END LOCALIZE
    &POISSON
      &EWALD
        ALPHA 1.0
        EWALD_TYPE SPME
        GMAX 54
      &END EWALD
    &END POISSON
    &PRINT
    &END PRINT
    &QS
      METHOD xTB
      &XTB
        DO_EWALD T
      &END XTB
    &END QS
    &SCF
      ADDED_MOS 20 20
      EPS_SCF 1.0e-7
      MAX_SCF 50
      SCF_GUESS ATOMIC
      &MIXING
        ALPHA 0.02
        #    METHOD DIRECT_P_MIXING
        METHOD BROYDEN_MIXING
        NBUFFER 100
      &END MIXING
      &SMEAR
        ELECTRONIC_TEMPERATURE 300.
        FIXED_MAGNETIC_MOMENT 0.0
        METHOD FERMI_DIRAC
      &END SMEAR
    &END SCF
  &END DFT
  &PRINT
    &FORCES ON
    &END FORCES
  &END PRINT
  &SUBSYS
    &CELL
      ABC 5.42858871335 5.42858871335 15.42858871335
    &END CELL
    &TOPOLOGY
      CONNECTIVITY OFF
      COORDINATE XYZ
      COORD_FILE_NAME ./SI_8.xyz
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
