You will find three feffit input files in this directory. They are: feffit_1.inp first shell fit feffit_2.inp fit to the first and second shells feffit_3.inp fit to the first four shells Feffit expects that its input file is called fefift.inp. The easiest thing to do is to copy each of these files to "feffit.inp" before running feffit. You should try these input files in order. -- Merci a la groupe de la formation permanent au CNRS (Mai 2000) pour la suggestion de faire l'affinement du premiere couche avant essayer l'affinement complete.