目录USPEX10.1目录IUSPEX 的特点，目标和历史......................................................21.1 概述....................................................................21.2USPEX 的特色...........................................................81.3有关 USPEX 主要原理及应用的文章.........................................91.4版本的历史.............................................................102 初始化........................................................................162.1如何获得 USPEX......................................................................................................................162.2版权引用...............................................................162.3错误报告...............................................................162.4运行 USPEX 的机型配置..................................................162.5与 USPEX 兼容使用的代码................................................172.6如何安装 USPEX......................................................................................................................172.7如何运行 USPEX......................................................................................................................182.8运行 USPEX 示例........................................................201.1.1试 USPEXPython 运行器............................................201.1.2运行 EX13-3DspecialquasirandomstructureTiCoO.........................................................211.1.3运行一个与外部代码交互的示例......................................221.1.4检查结果..........................................................243 输入与输出文件................................................................253.1输入文件...............................................................253.2输出文件...............................................................263.3SPECIFIC 文件夹..........................................................313.4SPEClFIC 文件夹中的 INCAR 文件................................
