Micro-absorption correction in Rietveld refinement
I noticed that the thermal parameter B of my material was regularly going negative during the refinement, I tried several fixes I found online but no luck. Then I stumbled upon the micro-absorption correction, I tried implementing it and it definitely helped, although at this point I am not completely sure if I implemented it correctly. My supervisor had no idea what it is and how to use it, but together we came to the conclusion that since it definitely alters the intensity of the peaks it should be refined before the atomic coordinates, the occupation and B, and it should be fixed before refining any of those. Does that make sense? Is that a good idea? I would love to hear from someone who does actually know how to implement it.