Hi all, I know how to handle doping in feff/ifeffit/artemis, but I'm not so confident with crystal structures that have a large fraction of vacancies. Suppose a site has a SOF of 0.50...and no other atom that substitutes. I could run atoms with the site filled, and then run feff, and then use Artemis to cut the amplitude of paths involving that scatterer in half...but will the feff calculation be anywhere near correct? It seems to me like this is a little like running a 6 angstrom cluster and then taking paths out to 6 angstroms--in that case, those last paths aren't very accurate because feff treats those atoms as if they are missing some neighbors. In this case, we have the opposite problem, with feff treating atoms as having more neighbors than they do. I guess one solution would be to go into the feff.inp file and remove roughly the right fraction of the atoms in question. Is that the standard way on handling this? --Scott Calvin Sarah Lawrence College P.S. I'll look forward to seeing many of you in a couple of days!