Figure 3
(Top) Comparison of S K-edge XANES spectra calculated with different MT radii (see text for more details on the procedure to determine the different MT radius). (Bottom) Spectral difference between each spectrum and a reference spectrum calculated with the MT radius with a 10% overlap. The red dotted line refers to the Norman procedure; the blue dotted line is the Raydem procedure; the blue dashed line correspond to a 12% overlap, the black solid line to a 15% overlap. |