Harmonic Debye-Waller factors for cubic materials
收藏doi.org2025-03-26 收录
下载链接：
http://doi.org/10.17632/676m75mxzn.1
下载链接
链接失效反馈官方服务：
资源简介：
Title of program: DWB87
Catalogue Id: AATZ_v1_0
Nature of problem
Determination of the Deybe-Waller B factors (which are proportional to the mean square vibrational amplitudes of atoms) at any temperature using lattice dynamical eigendata. Also, for a shell model, to determine the X-ray Debye-Waller B values appropriate to motion of the shell.
Versions of this program held in the CPC repository in Mendeley Data
AATZ_v1_0; DWB87; 10.1016/0010-4655(87)90041-5
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
程序标题：DWB87
目录编号：AATZ_v1_0
问题性质：通过利用晶格动力学本征数据，确定任何温度下的Debye-Waller因子（与原子的平均平方振动幅度成正比）以及对于壳模型，确定适合壳体运动的X射线Debye-Waller因子。
此程序版本存储于Mendeley数据中的CPC程序库
版本信息：AATZ_v1_0; DWB87; 10.1016/0010-4655(87)90041-5
程序来源：该程序自贝尔法斯特女王大学（1969-2018）所持有的CPC程序库导入。
提供机构：
doi.org
