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向小黄去浙大

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[交流] 【Fullprof精修】请问磁结构精修时,占位率怎么计算?

请问磁结构精修时,占位率怎么计算?和晶体结构的不一样吧? Manual上的描述看不懂(见下),求高手指点~~!!!
1. Use the correct occupation numbers in the crystallographic part (=multiplicity of special position/general multiplicity)
2. The number of magnetic atoms in the chemical unit cell must coincide with the description above,
therefore the occupation numbers in the magnetic part are related to the number
of symmetry operators given and the centrosymmetry (or not) of the magnetic structure.
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gyliu

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小木虫: 金币+0.5, 给个红包,谢谢回帖
占位率的计算都是一样的
2楼2015-12-04 08:36:17
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