Control{
    condition = initial
}

accuracy{
    cutoff_wf =   25  rydberg
    cutoff_cd =  225.00  rydberg
    num_bands =  20
    ksampling{
        mesh{ nx = 12 , ny = 12, nz = 12 }
    }
    smearing{
        method = meth
        width = 0.0001
        methfessel_paxton{
          order = 4
        }
    }
    initial_charge_density = atomic_charge_density
}

structure{
    unit_cell_type = Bravais
    unit_cell{
        #units angstrom
        a = 2.845, b = 2.845, c = 2.845
        alpha = 90, beta = 90, gamma = 90
    }
    symmetry{
      method = automatic
      tspace{
        lattice_system = bodycentered
      }
    }
    magnetic_state = ferro
    atom_list{
         atoms{
         #tag  rx       ry         rz      element
             0.000     0.000     0.000          Fe
         }
    }
    element_list{ 
      #tag element  atomicnumber  zeta
            Fe            26      0.4  
    }

}
