&GLOBAL
  PROJECT si8_noort_broy_wc_jacobi_ene1
  PRINT_LEVEL MEDIUM
  RUN_TYPE ENERGY
  FLUSH_SHOULD_FLUSH
&END GLOBAL
&FORCE_EVAL
  METHOD QS
  &PRINT
    &FORCES ON
    &END
  &END
  &DFT
    BASIS_SET_FILE_NAME GTH_BASIS_SETS
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    &MGRID
      NGRIDS 4
      CUTOFF 100
    &END MGRID
    &QS
      METHOD GPW
      EXTRAPOLATION PS
      EXTRAPOLATION_ORDER 2
    &END QS
    &SCF
      SCF_GUESS ATOMIC
      MAX_SCF   5
      EPS_SCF 1.0e-7
      &SMEAR
        METHOD FERMI_DIRAC
        ELECTRONIC_TEMPERATURE   300.
      &END
      &MIXING
          METHOD BROYDEN_MIXING
          ALPHA   0.2
          BETA   1.5
          NBROYDEN 8
      &END
      ADDED_MOS   20 20
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
    &LOCALIZE
      METHOD JACOBI
      EPS_LOCALIZATION 1.0E-4
      MAX_ITER 1000
      OUT_ITER_EACH 10
      ENERGY_RANGE  -8.6 3.02
      &PRINT
        &WANNIER_CENTERS
        &END
      &END
    &END
    &PRINT
      &MO
        EIGENVALUES
        OCCUPATION_NUMBERS
        &EACH
         QS_SCF 0
        &END
        ADD_LAST NUMERIC
      &END
    &END
  &END DFT
  &SUBSYS
    &CELL
       A  5.42858871335   1.0   0.0
       B   0.0    5.42858871335  0.0
       C   0.00     0.00  5.42858871335
    &END CELL
    &KIND  Si
      BASIS_SET  DZVP-GTH
      POTENTIAL  GTH-PBE-q4
    &END
    &TOPOLOGY
      COORD_FILE_NAME ../sample_xyz/SI_8.xyz
      COORDINATE XYZ
      CONNECTIVITY OFF
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
