&GLOBAL
  ELPA_KERNEL GENERIC
  ELPA_PRINT
  ELPA_QR TRUE
  PREFERRED_DIAG_LIBRARY ELPA
  PRINT_LEVEL MEDIUM
  PROJECT si128-elpa-qr-unsafe
  RUN_TYPE ENERGY
  ! To test if it is safe to use ELPA_QR on your system, turn on ELPA_PRINT
  ! to verify the computed eigenvalues (should be disabled for production)
  &FM
    NCOL_BLOCKS 32
    NROW_BLOCKS 32
  &END FM
&END GLOBAL

&FORCE_EVAL
  METHOD QS
  &DFT
    BASIS_SET_FILE_NAME GTH_BASIS_SETS
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    &MGRID
      CUTOFF 40
      NGRIDS 4
    &END MGRID
    &QS
      EXTRAPOLATION PS
      EXTRAPOLATION_ORDER 2
      METHOD GPW
    &END QS
    &SCF
      ADDED_MOS 20 20
      EPS_DIIS 1.0e-7
      EPS_SCF 1.0e-7
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 60
      SCF_GUESS MOPAC
      &MIXING
        ALPHA 0.6
        BETA 1.0
        METHOD BROYDEN_MIXING
        NBROYDEN 15
      &END MIXING
      &SMEAR
        METHOD GAUSSIAN
        SIGMA [eV] 0.05
      &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 5.42858871335
      MULTIPLE_UNIT_CELL 1 2 2
    &END CELL
    &KIND Si
      BASIS_SET SZV-GTH
      POTENTIAL GTH-PBE-q4
    &END KIND
    &TOPOLOGY
      CONNECTIVITY OFF
      COORDINATE XYZ
      COORD_FILE_NAME ../sample_xyz/SI_8.xyz
      MULTIPLE_UNIT_CELL 1 2 2
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
