GSAS-II

  • Level of openness 2 ★★☆
  • Document quality 2 ★★☆

An application for the single-crystal analysis and the Rietveld analysis used in X-ray and neutron diffraction experiments. This application determines crystal structure models of materials from X-ray and neutron diffraction data on single-crystal and powder samples. It supports Windows, Mac OS, and Linux. Graphical user interface (GUI) can be used.

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GSYS

  • Level of openness 2 ★★☆
  • Document quality 2 ★★☆

A tool to extract numerical data from graphs in pictures. Operations of GSYS is based on the GUI and it is easy to generate the numerical data from the given graph.

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GULP

  • Level of openness 0 ☆☆☆
  • Document quality 2 ★★☆

An application program for lattice dynamics calculation of molecules, surfaces, and solids in various boundary conditions. It lays emphasis on analytic calculation of lattice dynamics while it can perform molecular dynamics simulation as well. It supports various force fields to treat ionic materials, organic materials, and metals. It also implements analytic derivatives of the second and third order for many force fields.

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