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Total-reflection high-energy positron diffraction (TRHEPD) is a novelexperimental method for the determination of surface structure, which has beenextensively developed at the Slow Positron Facility, Institute of MaterialsStructure Science, High Energy Accelerator Research Organization (KEK). In thispaper, a two-stage data-analysis method is proposed. The data analysis is basedon an inverse problem in which the atomic positions of a surface structure aredetermined from the experimental diffraction data (rocking curves). Therelevant forward problem is solved by the numerical solution of the partialdifferential equation for quantum scattering of the positron. In the presenttwo-stage method, the first stage is a grid-based global search and the secondstage is a local search for the unique candidate for the atomic arrangement.The numerical problem is solved on a supercomputer

A two-stage data-analysis method for total-reflection high-energy positron diffraction (TRHEPD)