Posts
Posts from RMCProfile development group
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Magnetic Structure Refinement in RMCProfile
In RMCProfile, it is possible to refine the nucleus and magnetic structure altogether, and one can find detailed instructions in section 2.11 in the manual. The magnetic scattering will be calculated for both the Bragg diffraction and the total scattering pattern in reciprocal space (see the manual for detailed formulation). Specifically for the total scattering…
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Using Topas Bragg profile in RMCProfile
As a background note, we should talk a bit about why we add in the Bragg data in RMCProfile, which actually gives the program its current name — before the Bragg data is supported in RMCProfile, the program was called RMCA. In brief, the purpose is to constraint the model from the average structure perspective.…
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Using tail constraint in RMCProfile
Sometimes, the distance window constraint used in RMCProfile fitting will cause some spikes in the tail region of some partial PDFs. In this case, the tail constraint could be applied to suppress those unphysical spikes. To do this, one can refer to the following tutorial video, which uses OriginLab for extracting parameters of a Boltzmann…
