Symmetry and band structure III. Construction of symmetrized Hamiltonian matrix
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资源简介:
Title of program: SYMMETRY AND BAND STRUCTURE 3
Catalogue Id: ACMF_v1_0
Nature of problem
The third section of a program to perform the symmetry part of band structure calculations. This part constructs symmetrized plane waves and evaluates matrix elements between them.
Versions of this program held in the CPC repository in Mendeley Data
ACMF_v1_0; SYMMETRY AND BAND STRUCTURE 3; 10.1016/0010-4655(71)90011-7
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
程序名称:对称性与能带结构3(SYMMETRY AND BAND STRUCTURE 3)
目录编号:ACMF_v1_0
问题属性
本程序为用于开展能带结构计算对称性处理的程序的第三子模块,其功能为构建对称化平面波,并计算平面波间的矩阵元。
本程序的多个版本收录于Mendeley数据集中的CPC库,对应版本信息为:ACMF_v1_0;对称性与能带结构3;DOI:10.1016/0010-4655(71)90011-7
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:
1971-01-01



