&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT NiO
&END GLOBAL

&FORCE_EVAL
  METHOD SIRIUS
  &DFT
    &XC
      &XC_FUNCTIONAL
        &LDA_C_PZ
        &END LDA_C_PZ
        &LDA_X
        &END LDA_X
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &PW_DFT
    &CONTROL
      GEN_EVP_SOLVER_NAME lapack
      PROCESSING_UNIT cpu
      STD_EVP_SOLVER_NAME lapack
      VERBOSITY 2
    &END CONTROL
    &ITERATIVE_SOLVER
      CONVERGE_BY_ENERGY 1
      ENERGY_TOLERANCE 1e-2
      NUM_STEPS 20
      RESIDUAL_TOLERANCE 1e-6
      SUBSPACE_SIZE 4
      TYPE davidson
    &END ITERATIVE_SOLVER
    &MIXER
      BETA 0.75
      MAX_HISTORY 8
      TYPE broyden2
    &END MIXER
    &PARAMETERS
      ELECTRONIC_STRUCTURE_METHOD pseudopotential
      GK_CUTOFF 6.0
      NGRIDK 2 2 2
      NUM_DFT_ITER 100
      NUM_MAG_DIMS 1
      PW_CUTOFF 20.00
      SMEARING_WIDTH 0.025
      USE_SYMMETRY true
    &END PARAMETERS
  &END PW_DFT
  &SUBSYS
    &CELL
      A [bohr] 7.89357814 3.94678907 3.94678907
      B [bohr] 3.94678907 7.89357814 3.94678907
      C [bohr] 3.94678907 3.94678907 7.89357814
    &END CELL
    &COORD
      SCALED
      Ni 0.0 0.0 0.0 0.0 0.0 4.0
      Ni 0.5 0.5 0.5 0.0 0.0 -4.0
      O 0.25 0.25 0.25
      O 0.75 0.75 0.75
    &END COORD
    &KIND Ni
      POTENTIAL UPF "ni_lda_v1.4.uspp.F.UPF.json"
    &END KIND
    &KIND O
      POTENTIAL UPF o_lda_v1.2.uspp.F.UPF.json
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
