[Wien] vacancy-calculation

[zhchwsd@163.com]

Thnaks your replying to me.
  But I don't know how to define that atomic sign (for Z=0, no corresponding atom).can you tell me?
 
 
b) For "analysis" (like vacancy DOS) it may sometimes be usefull.During 
init_lapw set Z=1; after init_lapw edit the struct file and case.in2. 
Reduce Z to zero and reduce NE by one electron.

 > 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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