&GLOBAL
  FLUSH_SHOULD_FLUSH
  PRINT_LEVEL MEDIUM
  PROJECT si8_broy_stm
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD QS
  &DFT
    BASIS_SET_FILE_NAME GTH_BASIS_SETS
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    &MGRID
      CUTOFF 100
      NGRIDS 4
    &END MGRID
    &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 STM
    &END PRINT
    &QS
      EXTRAPOLATION PS
      EXTRAPOLATION_ORDER 2
      METHOD GPW
    &END QS
    &SCF
      ADDED_MOS 20 20
      EPS_SCF 1.0e-7
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 5
      SCF_GUESS ATOMIC
      &MIXING
        ALPHA 0.2
        BETA 1.5
        METHOD BROYDEN_MIXING
        NBROYDEN 8
      &END MIXING
      &SMEAR
        ELECTRONIC_TEMPERATURE 300.
        METHOD FERMI_DIRAC
      &END SMEAR
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &PRINT
    &FORCES ON
    &END FORCES
  &END PRINT
  &SUBSYS
    &CELL
      ABC 5.42858871335 5.42858871335 15.42858871335
    &END CELL
    &KIND Si
      BASIS_SET DZVP-GTH
      POTENTIAL GTH-PBE-q4
    &END KIND
    &TOPOLOGY
      CONNECTIVITY OFF
      COORDINATE XYZ
      COORD_FILE_NAME ../sample_xyz/SI_8.xyz
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
