XTALTDS6, 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 a symmetrical omega-scan. Major features are the correct treatment of the anisotropy of the diffuse scattering and an approximate inclusion of instrumental resolution factors. Detailed instructions for using the program are given,together with a complete listing. (Authro)