Calculation of elastic diffuse leed intensities from disordered adsorbates

Abstract Title of program: DLEED Catalogue number: AALY Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: CRAY-1S; Installation: University of London Computer Centre Operating system: COS (Cray Operating System) Programming language used: FORTRAN 77 High speed storage required: variable, but about 160 Kwords No. of bits per word: 64 No. of lines in the combined program and test deck: 2607 Title of program: DLEED Catalogue Id: AALY_v1_0 Nature of problem To calculate the diffuse intensity distribution produced by low-energy electrons elastically scattered from an adsorbate randomly adsorbed on locally identical sites on an otherwise clean crystal surface, and (optionally) to derive from this a Y-function characteristic of the local bonding geometry of the adsorbate. Versions of this program held in the CPC repository in Mendeley Data AALY_v1_0; DLEED; 10.1016/0010-4655(86)90008-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)## 摘要 程序名称：DLEED 目录编号：AALY 程序获取渠道：北爱尔兰贝尔法斯特女王大学CPC程序库（详见本刊内申请表） 适用计算机：CRAY-1S；安装单位：伦敦大学计算机中心 操作系统：COS（克雷操作系统，Cray Operating System） 所用编程语言：FORTRAN 77 高速存储需求：可变，约160千字 单字位数：64位 程序与测试程序组合计行数：2607行 程序名称：DLEED 目录标识：AALY_v1_0 ## 问题本质 计算低能电子从吸附于洁净晶体表面局域等价位点上的随机吸附质弹性散射所产生的漫散射强度分布；并可选择性地由此推导得到表征吸附质局域键合几何特征的Y函数。 ## Mendeley数据平台CPC库收录的本程序版本 AALY_v1_0; DLEED; 10.1016/0010-4655(86)90008-1 本程序源自贝尔法斯特女王大学馆藏CPC程序库（1969-2019年）