[Wien] space group p-3m1 (164)

ahmed amine ahmedamine_dz at hotmail.fr
Mon Dec 6 21:42:43 CET 2010



hi 
i have  a problem concerning the space group of my structure 
 
Ni       1b    -3m    0      0       0
Li/Na  2d    3m   1/3   2/3   0.649    space group P-3M1(164)
O         2d    3m   1/3   2/3   0.233

i try to tun this structure
but the code recognize it as P3M1 (156) 
because of the spleet of 3m Li/Na ( look like: 1 b 3m 1/3, 2/3 , z)
so i try every think i know but always the same problem
when i do relaxation the position 1b change became (0 0 z)

so any adias please



 		 	   		  
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