CalculationMode = gs

PeriodicDimensions = 3
BoxShape = parallelepiped
ExperimentalFeatures = yes
PseudopotentialSet=pseudodojo_lda

a = 2.867*Angstrom
%LatticeParameters
  a | a | a
%
%LatticeVectors
 -0.5 | 0.5 | 0.5
  0.5 |-0.5 | 0.5
  0.5 | 0.5 |-0.5
%
%ReducedCoordinates
 "Fe" | 0.0 | 0.0 | 0.0
%
Spacing = 0.35

%KPointsGrid
4 | 4 | 4
%

Smearing = 0.1*eV
SmearingFunction = fermi_dirac
LCAOStart = lcao_states
SpinComponents = spinors
GuessMagnetDensity = user_defined

%AtomsMagnetDirection
 0.0 | 0.0 | 4.0
%

EigenSolver = rmmdiis
ConvRelDens = 1e-7
ExtraStates = 10
