&GLOBAL
  PROJECT si8_lsd_broy_stm
  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 ../../../data/GTH_BASIS_SETS
    POTENTIAL_FILE_NAME ../../../data/GTH_POTENTIALS
    LSD
    &MGRID
      NGRIDS 4
      CUTOFF 100
    &END MGRID
    &QS
      METHOD GPW
      MAP_CONSISTENT
      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
    &PRINT
#      &MO
#        &EACH
#          QS_SCF 100
#        &END
#        EIGENVALUES
#        OCCUPATION_NUMBERS
#      &END
      &STM
         BIAS [eV] -1.0 -0.5 -0.3 -0.2 -0.1 -0.05
         TH_TORB S
      &END
    &END
  &END DFT
  &SUBSYS
    &CELL
       ABC   5.42858871335 5.42858871335 15.42858871335
    &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
