Improved version of group-theoretical analysis of lattice dynamics

Title of program: GROUP THEORY LATTICE DYNAMICS 2 Catalogue Id: ACMI_v2_0 [ACMM] Nature of problem The original version of the program symmetry-reduced the dynamical matrix characterizing lattice vibrations of solids, constructed symmetry coordinates which were labeled by the irreducible multiplier representationsof the group of the wavevector, and block-diagonalized the dynamical matrix. This improved version of the program allows one to calculate the symmetry properties of the external modes of vibration of molecular crystals, to generate the irreducible multiplier representation (IMR's), a ... Versions of this program held in the CPC repository in Mendeley Data ACMI_v1_0; GROUP THEORY OF LATTICE DYNAMICS; 10.1016/0010-4655(72)90058-6 ACMI_v2_0; GROUP THEORY LATTICE DYNAMICS 2; 10.1016/0010-4655(74)90057-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)程序名称：晶格动力学群论2（GROUP THEORY LATTICE DYNAMICS 2） 目录编号：ACMI_v2_0 [ACMM] 问题描述 本程序的初始版本可对表征固体晶格振动的动力学矩阵进行对称性约化，构建以波矢群的不可约乘子表示（irreducible multiplier representation）标记的对称坐标，并对动力学矩阵进行分块对角化。本改进版程序可用于计算分子晶体外部振动模式的对称性性质，并生成不可约乘子表示（IMR）…… 存放在Mendeley Data的CPC程序存储库中的该程序版本： ACMI_v1_0；晶格动力学群论（GROUP THEORY OF LATTICE DYNAMICS）；10.1016/0010-4655(72)90058-6 ACMI_v2_0；晶格动力学群论2（GROUP THEORY LATTICE DYNAMICS 2）；10.1016/0010-4655(74)90057-5 本程序源自贝尔法斯特女王大学馆藏的CPC程序库（1969-2019）