Number of energy points = 80 Doing FMS for a cluster of 87 atoms around iph = 0 Please, wait (updates every 20 points) ... FMS matrix (LUD) at point 20, number of state kets = 783 FMS matrix (LUD) at point 40, number of state kets = 783 FMS matrix (LUD) at point 60, number of state kets = 783 FMS matrix (LUD) at point 80, number of state kets = 783 Done with module 3: FMS. Preparing plane wave scattering amplitudes... Searching for paths... Rmax 1.0000 keep and heap limits 0.0000000 0.0000000 Preparing neighbor table Internal path finder limit exceeded -- path list may be incomplete. Paths found 0 (maxheap, maxscatt 1 0) Eliminating path degeneracies... Plane wave chi amplitude filter 2.50% Unique paths 0, total paths 0 Done with module 4: pathfinder. 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 0 paths kept, 0 examined. Done with module 5: F_eff. Calculating chi... Use all paths with cw amplitude ratio 4.00% S02 1.000 Global sig2 0.00000 Done with module 6: DW + final sum over paths. Feff done. Have a nice day.