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衬底substrate生成,film growth仿真

于 2023-04-16 发布 文件大小:2.75 kB
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代码说明:

This code is used for creating an initial structure made of either substrate atoms or deposited atoms. It generates three types of structures: rows, columns, and hemispheres. Type, size and number of objects are determined by the user. The  соde generates two files: ibox.txt and iboxXY_jmol.txt. The file ibox.txt contains coordinates of atoms in “integer” format (i, j, k, name_of_atom) and may be used as input to NASCAM. The file iboxXY_jmol.txt stores the same information about the position of the atoms but in Cartesian coordinates (name_of_atom x, y, z, ) in JMOL format. It may be used for visualization.     If a surface structure made of  atoms of both types is needed, then create two files, one for each type of atom, and then combine these files.

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