Dear All, I have a small question regarding GSAS and there is no better place to ask than in this great forum.
I would like to refine anomalous scattering factors (the f' and f'' found following the keyboard route LOF, for DOS users) of two identical atoms occupying different crystallographic sites. Following the above-mentioned route I just find the possibility of refining the anomalous scattering factors of each type of atom. I have two identical atoms in different crystallograhic sites but i can only refine one set of f' and f'' values. I have seen it done in some papers using GSAS (i.e. J. Phys. Chem. Solids Vol. 52, 1257 (1991)), but I just do not find the right path or option. Regards Gerard -- Heriot-Watt University is a Scottish charity registered under charity number SC000278.