from ATK.TwoProbe import * # Look for the Eigenvalues at the Fermi level energy = 0.00000*Units.eV # Restore the calculation scf = restoreSelfConsistentCalculation('perfect_chain.nc') # k-point list k_point_list = [(0.0,0.0)] # Calculate the Transmission eigenvalues eigenvalues = calculateTransmissionEigenvalues( scf, energy, quantum_numbers=(k_point_list))[0] # Print the transmission eigenvalues for i in range(len(eigenvalues)): print 'Eigenvalue %3i %10.5f' %(i, eigenvalues[i])