Lattice dynamics of zincblende structure compounds II. Shell model
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资源简介:
Title of program: LATTICE DYNAMICS - SHELL MODEL
Catalogue Id: ACUC_v1_0
Nature of problem
In many kinds of calculations one needs the phonon frequencies and possibly also the phonon eigenvectors. The present program will calculate both quantities for a given wavevector k, in crystals of zincblende and diamond structure.
Versions of this program held in the CPC repository in Mendeley Data
ACUC_v1_0; LATTICE DYNAMICS - SHELL MODEL; 10.1016/0010-4655(79)90104-8
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-壳模型(LATTICE DYNAMICS - SHELL MODEL)
目录编号:ACUC_v1_0
问题描述
各类计算中均需获取声子(phonon)频率以及可能需要的声子本征矢。本程序可针对闪锌矿(zincblende)与金刚石(diamond)结构的晶体,根据给定的波矢k计算上述两类物理量。
Mendeley Data的CPC存储库中收录的该程序版本:
ACUC_v1_0; 晶格动力学-壳模型; 10.1016/0010-4655(79)90104-8
本程序源自贝尔法斯特女王大学维护的CPC程序库(1969-2019年)
创建时间:
2019-12-18



