Multiphonon x-ray scattering

Title of program: NPHZB84 Catalogue Id: AADC_v1_0 Nature of problem Determination of the thermal diffuse X-ray scattering throughout reciprocal space at any temperature, including all multiphonon processes and using eigendata given by a lattice dynamical model. Versions of this program held in the CPC repository in Mendeley Data AADC_v1_0; NPHZB84; 10.1016/0010-4655(85)90044-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)程序名称：NPHZB84；目录编号：AADC_v1_0。研究问题：采用晶格动力学模型（lattice dynamical model）提供的本征数据（eigendata），计算任意温度下倒易空间（reciprocal space）全域内的热漫X射线散射（thermal diffuse X-ray scattering），涵盖所有多声子过程（multiphonon processes）。Mendeley数据的CPC库中收录的该程序版本信息为：AADC_v1_0；NPHZB84；10.1016/0010-4655(85)90044-X。本程序源自贝尔法斯特女王大学托管的CPC程序库（1969-2019年）。