[Wien] [WIEN]how to mark the vacancy atom in struct file?
白宇
baiyu1982 at ss.buaa.edu.cn
Thu Jul 5 18:35:10 CEST 2007
Dear wien users:
I am trying to do vacancy caculation. But i don't know how to mark the vacancy position in struct file. I try to mark it as a Z=0 atom, but keep its position coordinators,then lstart program always run error. However, if i don't mark it in the struct file, I don't know how to caculate the vacancy DOS.
Hope experienced user help me sovle this tiny problem.
Thank you.
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