Dear all, I found something strange when I was checking simulated magnetic intensities of a tetragonal ferromagnetic compound using FullProf with Jbt=-3, Isy=-2 or -1. Without any change in a pcr file, calculated magnetic intensities in the .out file vary every time I run FullProf. In addition, sometimes some peaks which should have identical intensity due to symmetry have different intensities. Here is an example of 200 reflection. All calculations were done without any change in the pcr file.
tetragonal ferromagnet, magnetic moment//c-axis hkl Icalc 0 2 0 44.2 2 0 0 44.2 0 2 0 30.8 2 0 0 30.8 0 2 0 35.4 2 0 0 34.6 0 2 0 51.9 2 0 0 51.9 0 2 0 32.7 2 0 0 30.8 0 2 0 43.0 2 0 0 51.9 After many attempts, I can say 30.8 may be the most frequent value for 200 and 020 reflection. I use FullProf.2k Version 5.30 - Mar2012 on Mac. Does anyone have a idea to avoid this behavior? Best, Kotaro //================//================// Kotaro SAITO High Energy Accelerator Research Organization Institute of Materials Structure Science 1-1 Oho, Tsukuba, Ibaraki, 305-0801, Japan //================//================//
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