Feff 7.02 XANES: Expert option, please read documentation carefully and check your results. CORRECTIONS and other cards may be needed. See FEFF7 document for details and a discussion of approximations. Cu crystal, 4 shells Calculating potentials and phases... free atom potential and density for atom type 0 free atom potential and density for atom type 1 initial state energy overlapped potential and density for unique potential 0 overlapped potential and density for unique potential 1 muffin tin radii and interstitial parameters absorption cross section phase shifts for unique potential 0 phase shifts for unique potential 1 Preparing plane wave scattering amplitudes... Searching for paths... Rmax 5.1564 keep and heap limits 0.0000000 0.0000000 Preparing neighbor table Paths found 894 (maxheap, maxscatt 158 4) Eliminating path degeneracies... Plane wave chi amplitude filter 2.50% Unique paths 15, total paths 462 Calculating EXAFS parameters... Curved wave chi amplitude ratio 4.00% Discard feff.dat for paths with cw ratio < 2.67% path cw ratio deg nleg reff 1 100.000 12.000 2 2.5527 2 23.257 6.000 2 3.6100 3 15.680 48.000 3 3.8290 4 11.617 48.000 3 4.3577 5 56.264 24.000 2 4.4213 6 11.478 48.000 3 4.7633 7 33.606 96.000 3 4.7633 8 19.264 12.000 2 5.1053 9 10.227 12.000 3 5.1053 10 45.121 24.000 3 5.1053 11 7.765 12.000 4 5.1053 12 4.078 12.000 4 5.1053 13 2.831 48.000 4 5.1053 14 31.756 12.000 4 5.1053 15 2.711 48.000 4 5.1053 15 paths kept, 15 examined. Calculating chi... WARNING:no chi.dat, chipNNNN.dat, feffNNNN.dat with XANES card Use all paths with cw amplitude ratio 4.00% S02 1.000 Temp 190.00 Debye temp 315.00 Global sig2 0.00000 Feff done. Have a nice day.