Dear feff user I try to simulate the EXAFS spectrum of a matrix composed of Fe and Cr (2 atoms on 35) at the Cr K edge. Well, I do not why, but feff (both 8.2 and 8.4) generates an endless loop. Here below I report the feff.inp used. I try even with different value of the SCF card (7.0 1 30 0.05 10) (4.0 1 30 0.05 10) (2.0 1 30 0.2 1) (3.0 1 30 0.2 1) but nothing changes. In order to solve the problem I should not use the SCF card, but this solution brings to a worse evaluation of the E0 and generally, from my little experience, I prefer to use it. The atoms coordinates were calculated by MD. Thank you very much for any help or suggestion. Best Sebastiano TITLE Cr in Fe matrix CONTROL 1 1 1 1 1 1 PRINT 0 0 0 0 0 0 RMULTIPLIER 1.003 LDOS -30 20 0.2 EDGE K S02 1.0 SCF 4.0 1 30 0.2 1 DEBYE 60 470 0 EXCHANGE 0 0 0 0 CORRECTIONS 0 2.5 EXAFS RPATH 10.0 POTENTIALS 0 24 Cr -1 -1 1 26 Fe -1 -1 2 24 Cr -1 -1 ATOMS -2.83900 -2.83700 -2.83600 1 Fe -1.41600 -1.41600 -1.41500 1 Fe 0.00000 0.00000 0.00000 0 Cr 2.84600 2.84500 2.84300 1 Fe 0.01340 2.84000 2.83900 1 Fe 2.84000 0.01200 2.83900 1 Fe 0.01200 0.01200 2.83200 1 Fe 2.84000 2.83900 0.01050 1 Fe 0.01200 2.83200 0.01000 1 Fe 2.83200 0.01000 0.01000 1 Fe 1.43000 1.42900 1.42800 2 Cr -2.83300 2.84500 2.84300 1 Fe -2.83900 0.01200 2.83900 1 Fe -2.83900 2.83900 0.01050 1 Fe -2.84700 0.01000 0.01000 1 Fe -1.40200 1.41900 1.41800 1 Fe 2.84300 -2.83400 2.84300 1 Fe 0.01050 -2.83900 2.83900 1 Fe 2.83700 -2.84100 0.01050 1 Fe 0.00900 -2.84700 0.01000 1 Fe 1.41800 -1.40300 1.41800 1 Fe -2.83600 -2.83400 2.84300 1 Fe -2.84200 -2.84100 0.01050 1 Fe -1.41000 -1.40900 1.41800 1 Fe 2.84300 2.84200 -2.83600 1 Fe 0.01050 2.83700 -2.84100 1 Fe 2.83700 0.00910 -2.84100 1 Fe 0.00900 0.00870 -2.84700 1 Fe 1.41800 1.41800 -1.40600 1 Fe -2.83600 2.84200 -2.83600 1 Fe -2.84200 0.00910 -2.84100 1 Fe -1.41000 1.41700 -1.41000 1 Fe 2.84100 -2.83700 -2.83600 1 Fe 0.00770 -2.84200 -2.84100 1 Fe 1.41700 -1.41100 -1.41000 1 Fe END