[Wien] about relaxed structure

[H. Duan]

Dear Wien users,
   The quasi-zinc-blende structure of Cd0.5Zn0.5Te containing 16 atoms have been fully relaxed using PORT method. All of the relaxation procedure are going smoothly before I try to use the obtained structure (see attachment)to do init_lapw, but problem in sgroup as well as the following procedure occure. I am very confudsed about it, and eager for your advice. Thanks a lot.

Sincerely     
H. Duan
National Laboratory for Infrared Physics
Shanghai Institute of Technical Physics
Chinese Academy of Sciences
500 Yutian Road
Shanghai 200083
P.R.China.
duanhe at mail.sitp.ac.cn	
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