XTDS2, A Program for Calculating the Thermal Diffuse Scattering in Integrated Intensities of Bragg Reflections.

摘要

The report describes a FORTRAN computer program to calculate the one-phonon thermal diffuse scattering included in the integrated intensity of a Bragg reflection from a cubic single crystal measured with either an Omega-scan or a Theta:2theta-scan. The calculation treats correctly the anisotropy of the diffuse scattering and allows inclusion of wavelength distribution effects but neglects primary beam divergences. Detailed instructions are given for using the program,together with a complete listing. (Author)