The final recommendation for the application of our procedure is to use the resonant approach for the low-energy region of the MCD spectrum, where the density of states is typically low and the resonant approach is expected to be the most efficient one. The spectrum is then extended to higher energies by producing a grid of cross sections with damped calculations. An overlap with the low-energy spectrum is advised for a complete description of the spectrum. The damping factor can be chosen based on the resolution of an experimental spectrum. If no experiment is available, or if no resolution is reported, a factor of 1000 cm -1 typically gives a reasonable theoretical spectrum. The step size should roughly correspond to the damping factor. In the current work, this was the case in regions with stronger spectral features, while less rich regions were treated with a step twice this size.