Hello, all experts I figured out the excited update in fullprof, which was we can do refine the primitive cell of rhombohedral group immediately. (https://www.ill.eu/sites/fullprof/php/FullProf_News_2022.htm#2007) Fullprof News - 2022<https://www.ill.eu/sites/fullprof/php/FullProf_News_2022.htm#2007> Full Year 2022----- >> 2 August 2022 : Automatic renumbering of codes used in linear restraints ----- - If modifications of VARY/FIX commands to refine or fix some parameters were used, the renumbering of explicit codes used in linear restraints instructions was not applied. www.ill.eu
My material is R 3 m (#160), and I am trying to refine it using R 3 m:R with the rhombohedral structure information. Let me suppose my material is A, the second impurity is B. (my data have only two phases) When I refine using R 3 m with the trigonal structure, I earn the weight fraction A:B=80%:20% But, when I refine using R 3 m:R with the rhombohedral structure, I earn the weight fraction A:B=50%:50%. When I tried both cases, I put all paramteters with same values in the second impurity like same scale factor, same profile values.. That is why I am getting in the problem on the weight fraction, and I am so confused.. Please share your expertise... Thanks, Do-Yeon, Kim ============================================ 김도연 (Kim Do Yeon) Pohang Accelerator Laboratory (PAL) 80 Jigokro-127-beongil, Nam-gu, Pohang, Gyeongbuk, 37673 Republic of Korea E-mail: kdo01...@postech.ac.kr, kdo01...@gmail.com Tel: +82-054-279-1613, Mobile : +82-010-7350-2858
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please do NOT attach files to the whole list <alan.he...@neutronoptics.com> Send commands to <lists...@ill.fr> eg: HELP as the subject with no body text The Rietveld_L list archive is on http://www.mail-archive.com/rietveld_l@ill.fr/ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
