[Wien] The symmetry is not recognized by Wien

[王静]

Hi, everyone
  The structure before optimization is in space group R-3 (No. 148). The lattice parameters and atom coordinates were fully optimized by VASP. I am doing some calculations using the optimized structure by Wien now. The matter is: when the space group R-3 is used, the RMT is restricted to small values for all the Atoms, i.e., for O atom, it is only 0.93. Larger values will results in error after “x nn”. Then I tried to find the symmetry by Wien. It is P-1 (No. 2) and all things go well. But this will cost much time. 
Is there any way to let the Wien recognize the R-3 symmetry? 
Thanks in advance for any advice!


	

　　　　　　　　
 				

　　　　　　　　Wang J
　　　　　　　　wangjingjing at ciac.jl.cn
　　　　　　　　　　2011-10-20