central_edp=electronDensityParameters(mesh_cutoff = 200*Rydberg,

initial_scaled_spin= [0.0]*10+[1.0]+[0.0]*10+[1.0]+[0.0]*10+[1.0]+[0.0]*10+[1.0]+[0.0]*60+[1.0]+[0.0]*10+[1.0]+[0.0]*10+[1.0]+[0.0]*10+[1.0]+[0.0]*10+[1.0])

central_tcip=twoCenterIntegralParameters(cutoff= 2500.0*Rydberg,

points= 1024)

central_imp=iterationMixingParameters(algorithm = IterationMixing.Pulay,

diagonal_mixing_parameter= 0.001,

quantity = IterationMixing.Hamiltonian,

history_steps = 12)

#Tolerance for convergence

central_icp=iterationControlParameters(tolerance= 1.0e-4,

criterion= IterationControl.DensityMatrix,

max_steps= 500)

central_ecip=energyContourIntegralParameters(circle_points = 100,

integral_lower_bound = 15*Rydberg,

fermi_line_points = 10,

fermi_function_poles = 10,

real_axis_infinitesimal= 0.01*eV,

real_axis_point_density= 0.02*eV)

# Define methods for constrained algorithm

central_ap=twoProbeAlgorithmParameters(electrode_constraint = ElectrodeConstraints.Off,

initial_density_type = InitialDensityType.NeutralAtom)

#Collect parameters into a two-probe calculation method

constrained_method=TwoProbeMethod((lelectrode_parameters,relectrode_parameters),

basis_set_parameters = [bsp_c,bsp_h,bsp_fe],

exchange_correlation_type = LDA.PZ,

electron_density_parameters = central_edp,

two_center_integral_parameters = central_tcip,

iteration_mixing_parameters = central_imp,

iteration_control_parameters = central_icp,

energy_contour_integral_parameters= central_ecip,

electrode_voltages = (0.0,0.0)*Volt,

algorithm_parameters = central_ap)

All the basis sets are DZP.