&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT Si_bulk8
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    &MGRID
      CUTOFF 300
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-12
    &END QS
    &SCF
      ADDED_MOS 16
      CHOLESKY INVERSE
      EPS_SCF 1.0E-6
      MAX_DIIS 100
      MAX_SCF 50
      SCF_GUESS ATOMIC
      &DIAGONALIZATION
        ALGORITHM FILTER_MATRIX
        &FILTER_MATRIX
          AUTO_CUTOFF_SCALE 0.5
          COLLECTIVE_COMMUNICATION OFF
          FILTER_TEMPERATURE [K] 20000
        &END FILTER_MATRIX
      &END DIAGONALIZATION
      &MIXING
        ALPHA 0.2
        BETA 0.2
        METHOD PULAY_MIXING
        NBUFFER 8
      &END MIXING
      &OUTER_SCF
        EPS_SCF 1.0E-6
        MAX_SCF 0
      &END OUTER_SCF
      &PRINT
        &FILTER_MATRIX ON
        &END FILTER_MATRIX
      &END PRINT
      &SMEAR ON
        METHOD GAUSSIAN
        SIGMA [eV] 0.05
      &END SMEAR
    &END SCF
    &XC
      &XC_FUNCTIONAL PADE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &PRINT
    &FORCES
    &END FORCES
  &END PRINT
  &SUBSYS
    &CELL
      A 5.430697500 0.000000000 0.000000000
      B 0.000000000 5.430697500 0.000000000
      C 0.000000000 0.000000000 5.430697500
      MULTIPLE_UNIT_CELL 1 1 1
    &END CELL
    &COORD
      Si    0.000000000    0.000000000    0.000000000
      Si    0.000000000    2.715348700    2.715348700
      Si    2.715348700    2.715348700    0.000000000
      Si    2.715348700    0.000000000    2.715348700
      Si    4.073023100    1.357674400    4.073023100
      Si    1.357674400    1.357674400    1.357674400
      Si    1.357674400    4.073023100    4.073023100
      Si    4.073023100    4.073023100    1.357674400
    &END COORD
    &KIND Si
      BASIS_SET DZVP-GTH-PADE
      ELEMENT Si
      POTENTIAL GTH-PADE-q4
    &END KIND
    &TOPOLOGY
      MULTIPLE_UNIT_CELL 1 1 1
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL

# &EXT_RESTART
#     RESTART_FILE_NAME  A-1.restart
#     RESTART_DEFAULT T
# &END EXT_RESTART