VESTA教程1

VESTA教程v1.11前言VESTA是优秀的晶体建模工具，文档基于Win7-64位、VESTA3.3.8。更新：。[e-mail]2016.8.312目录前言.........................................................................1目录.........................................................................2下载.........................................................................3创建晶胞.....................................................................3导出600dpitif..............................................................5截取晶面.....................................................................6调整晶胞边界.................................................................6查看unitcell中atomsnums..................................................7创建supercell...............................................................7设置真空层...................................................................8参考.........................................................................93下载VESTA3.3.8下载。Win7-64位，直接解压打开即可，绿色免安装。创建晶胞si.cif下载，WyckoffRWGCrystalStructures1(1963)7-83在，查找空间群序号，227。45导出600dpitif打开AdobeIllustratorCS6，6打开PhotoFiltre6.5.3，截取晶面调整晶胞边界7查看unitcell中atomsnums创建supercell8设置真空层若真空层为c1Å，z=h=(x+c1)/c1=29参考请大家交流一下VESTA软件的用法SurfaceslabswithVESTA如何从六角晶胞构建立方晶胞DrawingCrystalStructuresVESTA官方文档HowtoPrepareanInputFileforSurfaceCalculations请教一个用vesta建超晶包的问题BuildingslabgeometriesforcatalysiswithVESTA