Harmonic Debye-Waller factors for cubic materials
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https://data.mendeley.com/datasets/676m75mxzn
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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)
创建时间：
2019-11-11
