Figure 1
Sample feffnnnn.dat: feff0001.dat for first-neighbor Co–Co scattering in . After a series of comment lines ending with the line -----, the number of legs, number of equivalent paths, half path-length Rj (2.7089 Å here), Norman radius and Fermi energy relative to E0 are given, followed by coordinates of the atoms in the path, and then a list of k-dependent arrays (truncated here) used to reconstruct . |