[Wien] Do I should accept the struct generated by sgroup?

yxl at email.jlu.edu.cn yxl at email.jlu.edu.cn
Sat Feb 18 14:45:35 CET 2006


Dear users,
 I have a question for a long time. when we make a supercell simulating an impurity or a surface ,we treat the supercell as unit cell.So I think we should'nt accept the struct generated by nn or sgroup,But it isn't true. Can you explain it for me.I'll be appreciated for you.
yours sincerecely,
hongxia


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