control{
  condition = initial
}
accuracy{
  num_bands = 52
  ksampling{
    method=monk
    mesh{
      nx = 6
      ny = 6
      nz = 1
    }
  }
  cutoff_wf = 30 rydberg
  cutoff_cd = 300 rydberg
  initial_wavefunctions = atomic_orbitals
  initial_charge_density = atomic_charge_density
  scf_convergence{
    delta_total_energy = 1e-8
  }
  force_convergence{
    max_force = 0.0005 hartree/bohr
  }
}
structure{
  atom_list{
    atoms{
      #tag    element    rx    ry    rz    mobile    weight
            Fe    0.5    0.5    0    off    1
            Fe    0    0    0.0948333333333    off    2
            Fe    0    0    0.2845    off    2
            Fe    0.5    0.5    0.189666666667    off    2
    }
  }
  ferromagnetic_state{
    sw_fix_total_spin=off
    total_spin=14
    spin_fix_period=5
  }
  unit_cell{
    a_vector = 5.3762704477 0.0 0.0
    b_vector = 0.0 5.3762704477 0.0
    c_vector = 0.0 0.0 28.3458898822
  }
  element_list{
    #tag    element    atomicnumber    mass    zeta
          Fe    26    101802.230406    0.375
  }
  symmetry{
    method = automatic
    sw_inversion = on
  }
  magnetic_state=ferro
}
structure_evolution{
  method = gdiis
  gdiis{
    initial_method = cg
    c_forc2gdiis = 0.005 hartree/bohr
  }
}
wavefunction_solver{
  solvers{
    #tag    sol    till_n
          mddavidson    1
          rmm3       -1
  }
  rmm{
    edelta_change_to_rmm = 5e-3 hartree
  }
}
charge_mixing{
  sw_recomposing=on
  spin_density_mixfactor=1
  mixing_methods{
    #tag    no    method    rmxs
          1    pulay    0.1
  }
}
printoutlevel{
  base = 1
}
