
 CalculationMode = gs
 PeriodicDimensions = 3
 BoxShape = parallelepiped
 FromScratch = yes

 a = 7.8809
 %LatticeParameters
   a | a | a
 %
 %LatticeVectors
  0.0 | 1/2 | 1/2
  1/2 | 0.0 | 1/2
  1.0 | 1.0 | 0.0
 %

 %Species
 "Ni1" | species_pseudo | set | hscv_pbe | hubbard_l | 2 | hubbard_u | 5.0*eV
 "Ni2" | species_pseudo | set | hscv_pbe | hubbard_l | 2 | hubbard_u | 5.0*eV
 %

 DFTULevel = dft_u_empirical

 %ReducedCoordinates
  "Ni1" | 0.0 | 0.0 | 0.0
  "Ni2" | 0.0 | 0.0 | 0.5
  "O"  | 0.5 | 0.5 | 0.25
  "O"  | 0.5 | 0.5 | 0.75
 %
 Spacing = 0.4
 %KPointsGrid
 2 | 2 | 2
 %
 KPointsUseSymmetries = yes
 KPointsUseTimeReversal = no

 Eigensolver = chebyshev_filter
 ExtraStates = 8

 SpinComponents = polarized
 GuessMagnetDensity = user_defined
 %AtomsMagnetDirection
  8.0
 -8.0
  0.0
  0.0
 %

 %Output
   occ_matrices
 %
