Dear IFEFFIT helper, I am a novice of IFEFFIT and would like to ask some questions about fitting variables used in the program. I've been trying to fit my FEFF 8 calculation result to an experimental data for a bulk compound CdSe. Essentially, the fitting variables, S02 and DW factor (the correlated Debye model) for the first-shell, are used for the fit. I can manage to fit quite nicely with those variables, but the problem is that I want to use the values of the resulting fitting variables as input for CdSe quantum dot calculations. Normally, S02 and Debye keywords in FEFF are global paramaters, not restricted to a single shell, so there seems to be no way that I can put the fitting values obtained from the fit into new FEFF calculations. I was wondering if someone has experience to use bulk fitting values as input in a new FEFF calculation. Joon Lawrence Berkeley National Lab