Dear Mr Leineweber > actually I am wondering about your parameters. May it be that S310 is > instead S301?? > If the former is the case, you use the hexagonal setting, > which I would also expect if you use also the hexagonal setting for the > crystal structure.
Thanks for your comment. I just checked the parameter names on EXPGUI's "Profile" tab again: S400, S004, S202 and S310 (SG R-3, hexagonal setting). Regards Franz Werner -- Psssst! Schon vom neuen GMX MultiMessenger gehört? Der kann`s mit allen: http://www.gmx.net/de/go/multimessenger
