&GLOBAL
  PRINT_LEVEL low
  PROJECT au-2x2x3-bulk
  RUN_TYPE energy
  #EXTENDED_FFT_LENGTHS .true.
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    &KPOINTS
      EPS_GEO 1.e-8
      FULL_GRID ON
      PARALLEL_GROUP_SIZE 0
      SCHEME MONKHORST-PACK 2 2 3
      SYMMETRY OFF
      VERBOSE T
    &END KPOINTS
    &MGRID
      CUTOFF 200
    &END MGRID
    &POISSON
      PERIODIC xyz
    &END POISSON
    &SCF
      ADDED_MOS 100
      EPS_SCF 1e-5
      MAX_SCF 20
      SCF_GUESS atomic
      &MIXING
        ALPHA 0.3
        METHOD broyden_mixing
        NBUFFER 8
      &END MIXING
      &PRINT
        &RESTART off
        &END RESTART
      &END PRINT
      &SMEAR
        ELECTRONIC_TEMPERATURE [K] 293
        METHOD fermi_dirac
      &END SMEAR
    &END SCF
    &SMEAGOL
      BULKLEAD LR
      PROJECT_NAME au_capacitor_bulk
      # In actual calculation please comment the following keyword,
      # increase CUTOFF and the number of k-points,
      # as well as tighten EPS_SCF convergence criteria
      REGRESSION_TEST .true.
      RUN_TYPE BulkTransport
    &END SMEAGOL
    &XC
      &XC_FUNCTIONAL pade
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 8.336 8.336 8.336
      PERIODIC xyz
    &END CELL
    &COORD
      Au 0.000 0.000 0.000
      Au 0.000 4.168 0.000
      Au 2.084 2.084 0.000
      Au 2.084 6.252 0.000
      Au 4.168 0.000 0.000
      Au 4.168 4.168 0.000
      Au 6.252 2.084 0.000
      Au 6.252 6.252 0.000
      Au 0.000 2.084 2.084
      Au 0.000 6.252 2.084
      Au 2.084 0.000 2.084
      Au 2.084 4.168 2.084
      Au 4.168 2.084 2.084
      Au 4.168 6.252 2.084
      Au 6.252 0.000 2.084
      Au 6.252 4.168 2.084
      Au 0.000 0.000 4.168
      Au 0.000 4.168 4.168
      Au 2.084 2.084 4.168
      Au 2.084 6.252 4.168
      Au 4.168 0.000 4.168
      Au 4.168 4.168 4.168
      Au 6.252 2.084 4.168
      Au 6.252 6.252 4.168
      Au 0.000 2.084 6.252
      Au 0.000 6.252 6.252
      Au 2.084 0.000 6.252
      Au 2.084 4.168 6.252
      Au 4.168 2.084 6.252
      Au 4.168 6.252 6.252
      Au 6.252 0.000 6.252
      Au 6.252 4.168 6.252
    &END COORD
    &KIND Au
      BASIS_SET SZV-MOLOPT-SR-GTH
      POTENTIAL GTH-PADE-q11
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
