YellProgram / Yell

Yell is a program for diffuse scattering interpretation using the 3D-∆PDF refinement.
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Anharmonic ADP #54

Open aglie opened 5 years ago

aglie commented 5 years ago

Following the Trueblood's Atomic Dispacement Parameter Nomenclature. Report of a Subcommittee on Atomic Displacement Parameter Nomenclature add a possibility to refine Gram-Charlie quasi-moments on pair correlations. Check on PbTe how they perform.

If implemented will require a tool to check how the average structure changes, and also how a visualizer on how the PDFs look like to diagnose if the refinements have done the job ok.

And obviously the question of whether it all makes any physical sence is open.