Figure 2
Maximal difference between interpolated and theoretical spectra for different values of the parameter deviation. Squares (triangles) correspond to first-order interpolation with the limit of variations being 0.2 (0.1) Å. Circles correspond to second-order interpolation with the limit of variations being 0.2 Å. Calculations were performed for Fe K-edge XANES of FeS4 for variations of one of the bond lengths. |