&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT N2
  #RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD SIRIUS
  &DFT
    BASIS_SET_FILE_NAME ./BASIS_MOLOPT
    POTENTIAL_FILE_NAME ./GTH_POTENTIALS
    &XC
      &XC_FUNCTIONAL
        &LDA_C_XALPHA
          ALPHA 0.66666666666
          SCALE 1.0
        &END LDA_C_XALPHA
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &PW_DFT
    &CONTROL
      CYCLIC_BLOCK_SIZE 32
      GEN_EVP_SOLVER_NAME lapack
      PROCESSING_UNIT cpu
      STD_EVP_SOLVER_NAME lapack
      VERBOSITY 1
    &END CONTROL
    &ITERATIVE_SOLVER
      CONVERGE_BY_ENERGY 1
      ENERGY_TOLERANCE 1e-5
      NUM_STEPS 200
      #SUBSPACE_SIZE 4
      TYPE davidson
    &END ITERATIVE_SOLVER
    &MIXER
      BETA 0.6
      MAX_HISTORY 8
      TYPE broyden2
    &END MIXER
    &PARAMETERS
      DENSITY_TOL 1e-8
      ELECTRONIC_STRUCTURE_METHOD pseudopotential
      ENERGY_TOL 1e-10
      GK_CUTOFF 5.47722557
      NGRIDK 1 1 1
      NUM_DFT_ITER 100
      PW_CUTOFF 10.95445115
      SMEARING_WIDTH 0.01
    &END PARAMETERS
  &END PW_DFT
  &SUBSYS
    &CELL
      A [bohr] 16.0 0.0 0.0
      B [bohr] 0.0 16.0 0.0
      C [bohr] 0.0 0.0 16.0
    &END CELL
    &COORD
      SCALED
      N      0.0               0.0   0.0
      N      0.14763485355     0.0   0.0
    &END COORD
    &KIND N
      BASIS_SET DZVP-MOLOPT-GTH
      POTENTIAL GTH-PBE-q5
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
